Peak 6002 from nnoeabs.peaks (8.51, 8.51, 127.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 2 + H LEU 2 OK 100 100 - 100 Peak 6003 from nnoeabs.peaks (4.16, 8.51, 127.16 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 1 + H LEU 2 OK 100 100 100 100 2.1-2.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6004 from nnoeabs.peaks (1.94, 8.51, 127.16 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 1 + H LEU 2 OK 100 100 100 100 3.5-4.2 4.6=100 QE MET 1 + H LEU 2 OK 67 68 100 99 3.1-5.1 3.3/6006=70, 5.3/8=62...(21) Violated in 0 structures by 0.00 A. Peak 6005 from nnoeabs.peaks (2.00, 8.51, 127.16 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 1 + H LEU 2 OK 100 100 100 100 2.5-4.5 4.6=100 QE MET 1 + H LEU 2 OK 83 84 100 100 3.1-5.1 3.3/6006=67, 5.3/8=59...(22) HB2 GLN 50 - H LEU 2 poor 18 91 20 - 6.2-9.9 Violated in 0 structures by 0.00 A. Peak 6006 from nnoeabs.peaks (2.20, 8.51, 127.16 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 1 + H LEU 2 OK 100 100 100 100 2.0-4.1 29=79, 5/8=74...(13) HB3 GLN 50 - H LEU 2 poor 17 87 20 - 5.5-9.8 Violated in 0 structures by 0.00 A. Peak 6007 from nnoeabs.peaks (2.42, 8.51, 127.16 ppm; 5.43 A): 3 out of 4 assignments used, quality = 1.00: * HG3 MET 1 + H LEU 2 OK 100 100 100 100 1.9-3.9 1.8/6006=92, 4.2/8=83...(15) HG3 GLU 48 + H LEU 2 OK 31 99 40 79 6.2-9.2 10432/4.7=47...(5) HG2 GLN 50 + H LEU 2 OK 28 94 50 59 5.6-9.9 12283/4.7=32...(8) HG3 GLN 50 - H LEU 2 far 10 98 10 - 6.9-11.1 Violated in 0 structures by 0.00 A. Peak 6008 from nnoeabs.peaks (1.98, 8.51, 127.16 ppm; 4.97 A): 3 out of 3 assignments used, quality = 1.00: * QE MET 1 + H LEU 2 OK 100 100 100 100 3.1-5.1 37/8=71, 3.3/6006=64...(23) HB3 MET 1 + H LEU 2 OK 84 84 100 100 2.5-4.5 4.6=100 HB2 MET 1 + H LEU 2 OK 68 68 100 100 3.5-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 6009 from nnoeabs.peaks (4.46, 8.51, 127.16 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 2 + H LEU 2 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 48 - H LEU 2 far 0 68 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 6010 from nnoeabs.peaks (1.70, 8.51, 127.16 ppm; 4.12 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 2 OK 100 100 100 100 2.4-3.6 4.0=100 HB ILE 52 + H LEU 2 OK 67 75 95 94 3.8-6.5 3.0/8044=57, 2.1/6013=24...(13) HB3 LYS 53 - H LEU 2 far 5 96 5 - 4.3-8.7 Violated in 0 structures by 0.00 A. Peak 6011 from nnoeabs.peaks (1.33, 8.51, 127.16 ppm; 4.60 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 2 + H LEU 2 OK 100 100 100 100 2.5-3.8 4.0=100 HG LEU 3 + H LEU 2 OK 69 70 100 99 4.2-4.9 ~8050=41, 8084/3.0=36...(20) HB3 LEU 27 - H LEU 2 far 0 99 0 - 8.5-9.9 QB ALA 25 - H LEU 2 far 0 100 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 6012 from nnoeabs.peaks (1.51, 8.51, 127.16 ppm; 4.29 A): 1 out of 3 assignments used, quality = 0.99: * HG LEU 2 + H LEU 2 OK 99 100 100 99 3.0-4.0 4.7=75, ~77=47, ~49=46...(12) HD3 LYS 53 - H LEU 2 far 3 63 5 - 5.3-9.5 HB2 LEU 3 - H LEU 2 far 0 61 0 - 5.9-7.2 Violated in 0 structures by 0.00 A. Peak 6013 from nnoeabs.peaks (0.81, 8.51, 127.16 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 2 + H LEU 2 OK 100 100 100 100 1.7-4.3 4.7=100 QG2 ILE 52 + H LEU 2 OK 76 77 100 98 3.5-6.0 3.2/8044=71, 2.1/6010=35...(21) Violated in 0 structures by 0.00 A. Peak 6014 from nnoeabs.peaks (0.88, 8.51, 127.16 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + H LEU 2 OK 100 100 100 100 1.7-3.8 4.7=100 QG2 ILE 76 - H LEU 2 far 0 100 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 6015 from nnoeabs.peaks (7.84, 8.51, 127.16 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 3 + H LEU 2 OK 100 100 100 100 4.4-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 6016 from nnoeabs.peaks (7.84, 7.84, 122.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 3 + H LEU 3 OK 100 100 - 100 Peak 6017 from nnoeabs.peaks (8.51, 7.84, 122.56 ppm; 5.52 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + H LEU 3 OK 100 100 100 100 4.4-4.6 4.6=100 H VAL 54 - H LEU 3 far 0 93 0 - 7.3-8.3 H GLN 50 - H LEU 3 far 0 59 0 - 8.8-11.7 H ASN 51 - H LEU 3 far 0 85 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 6018 from nnoeabs.peaks (4.46, 7.84, 122.56 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 2 + H LEU 3 OK 99 100 100 99 2.2-2.5 51=96, 77/83=32...(11) Violated in 0 structures by 0.00 A. Peak 6019 from nnoeabs.peaks (1.70, 7.84, 122.56 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 2 + H LEU 3 OK 100 100 100 100 2.9-4.2 4.6=100 HB ILE 52 + H LEU 3 OK 60 75 85 93 5.1-7.1 78/83=30, ~8105=25...(15) HB3 LYS 53 - H LEU 3 far 14 96 15 - 4.9-7.4 Violated in 0 structures by 0.00 A. Peak 6020 from nnoeabs.peaks (1.33, 7.84, 122.56 ppm; 3.77 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LEU 2 + H LEU 3 OK 99 100 100 99 2.2-4.1 67=78, 3.0/6018=70...(13) HG LEU 3 + H LEU 3 OK 69 70 100 99 3.1-3.7 2.1/132=61, 116=53...(15) HB3 LEU 27 + H LEU 3 OK 54 99 80 69 4.0-5.6 3.0/8088=27...(9) QB ALA 25 - H LEU 3 far 0 100 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 6021 from nnoeabs.peaks (1.51, 7.84, 122.56 ppm; 3.88 A): 2 out of 3 assignments used, quality = 0.99: * HG LEU 2 + H LEU 3 OK 99 100 100 99 3.7-4.8 2.1/83=68, 3.7/6018=61...(13) HB2 LEU 3 + H LEU 3 OK 61 61 100 100 2.7-3.9 4.0=89, 3.0/116=57...(13) HD3 LYS 53 - H LEU 3 far 0 63 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 6022 from nnoeabs.peaks (0.81, 7.84, 122.56 ppm; 4.14 A): 1 out of 6 assignments used, quality = 1.00: * QD2 LEU 2 + H LEU 3 OK 100 100 100 100 2.6-4.6 83=100, 77/6018=77...(12) QG2 ILE 52 - H LEU 3 far 4 77 5 - 5.0-6.9 QD1 LEU 6 - H LEU 3 far 0 61 0 - 9.1-11.5 QD2 LEU 103 - H LEU 3 far 0 94 0 - 9.3-14.6 QD1 ILE 76 - H LEU 3 far 0 99 0 - 9.9-11.5 QD1 ILE 93 - H LEU 3 far 0 59 0 - 9.9-10.9 Violated in 14 structures by 0.14 A. Peak 6023 from nnoeabs.peaks (0.88, 7.84, 122.56 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + H LEU 3 OK 100 100 100 100 4.4-4.9 5.0=100 QG2 ILE 76 - H LEU 3 far 0 100 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 6024 from nnoeabs.peaks (5.13, 7.84, 122.56 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 3 + H LEU 3 OK 100 100 100 100 2.9-2.9 3.0=100 HA TYR 4 + H LEU 3 OK 88 96 100 92 4.7-4.8 3.0/6032=55, ~99=31...(12) HA VAL 54 - H LEU 3 far 0 75 0 - 6.2-7.2 HA VAL 5 - H LEU 3 far 0 90 0 - 8.3-8.8 Violated in 0 structures by 0.00 A. Peak 6025 from nnoeabs.peaks (1.55, 7.84, 122.56 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 3 + H LEU 3 OK 99 100 100 99 2.7-3.9 4.0=73, 3.0/116=50...(14) HG LEU 2 + H LEU 3 OK 59 61 100 96 3.7-4.8 2.1/83=60, 3.7/6018=54...(13) HB3 GLU 28 - H LEU 3 far 0 99 0 - 7.1-8.6 HD3 LYS 53 - H LEU 3 far 0 100 0 - 7.4-9.0 Violated in 1 structures by 0.00 A. Peak 6026 from nnoeabs.peaks (1.15, 7.84, 122.56 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 3 + H LEU 3 OK 100 100 100 100 2.8-3.9 4.0=100 HB2 LEU 29 - H LEU 3 far 0 99 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 6027 from nnoeabs.peaks (1.30, 7.84, 122.56 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 3 + H LEU 3 OK 100 100 100 100 3.1-3.7 116=82, 2.1/132=59...(15) HB3 LEU 2 + H LEU 3 OK 68 70 100 97 2.2-4.1 3.0/6018=68, 4.6=51...(13) Violated in 0 structures by 0.00 A. Peak 6028 from nnoeabs.peaks (0.26, 7.84, 122.56 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + H LEU 3 OK 100 100 100 100 4.3-4.7 124=98, 2.1/116=85...(10) Violated in 8 structures by 0.04 A. Peak 6029 from nnoeabs.peaks (0.46, 7.84, 122.56 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 3 + H LEU 3 OK 100 100 100 100 2.6-4.0 132=100, 2.1/116=79...(14) QD1 LEU 55 - H LEU 3 far 0 82 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 6030 from nnoeabs.peaks (8.36, 7.84, 122.56 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 4 + H LEU 3 OK 100 100 100 100 4.2-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 6031 from nnoeabs.peaks (8.36, 8.36, 119.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H TYR 4 + H TYR 4 OK 100 100 - 100 H GLU 63 + H GLU 63 OK 45 45 - 100 Peak 6032 from nnoeabs.peaks (7.84, 8.36, 119.31 ppm; 4.39 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 3 + H TYR 4 OK 100 100 100 100 4.2-4.4 4.6=86, 3.0/99=83...(15) H ASN 26 - H TYR 4 far 0 100 0 - 8.7-10.9 H SER 9 - H GLU 63 far 0 35 0 - 9.0-9.6 Violated in 6 structures by 0.01 A. Peak 6033 from nnoeabs.peaks (5.13, 8.36, 119.31 ppm; 2.78 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 3 + H TYR 4 OK 96 100 100 96 2.2-2.5 99=64, 3.0/6035=26...(24) HA TYR 4 + H TYR 4 OK 90 96 100 94 2.9-2.9 3.0=84, 146/4.6=19...(13) HA VAL 54 + H TYR 4 OK 64 75 100 85 2.2-2.9 3.2/9227=20, 3.6/9293=20...(25) HA VAL 5 - H TYR 4 far 0 90 0 - 4.8-5.0 Violated in 0 structures by 0.00 A. Peak 6034 from nnoeabs.peaks (1.55, 8.36, 119.31 ppm; 4.19 A): 1 out of 12 assignments used, quality = 1.00: * HB2 LEU 3 + H TYR 4 OK 100 100 100 100 2.9-4.2 4.4=85, 1.8/6035=78...(23) HG LEU 2 - H TYR 4 poor 15 61 35 71 5.1-8.3 6025/6032=19...(12) HD3 LYS 82 - H GLU 63 poor 13 54 40 59 5.4-6.9 9768/9391=15...(8) HD3 LYS 53 - H TYR 4 far 5 100 5 - 5.7-7.4 HG LEU 6 - H TYR 4 far 0 81 0 - 6.4-9.7 HG3 ARG 79 - H TYR 4 far 0 94 0 - 6.9-10.7 HB3 GLU 28 - H TYR 4 far 0 99 0 - 7.1-8.2 HG2 ARG 79 - H TYR 4 far 0 93 0 - 7.4-10.7 HG12 ILE 56 - H TYR 4 far 0 90 0 - 7.8-9.8 HG3 ARG 30 - H TYR 4 far 0 88 0 - 8.4-10.9 HG LEU 103 - H TYR 4 far 0 79 0 - 9.1-14.6 HG12 ILE 56 - H GLU 63 far 0 47 0 - 10.0-11.9 Violated in 1 structures by 0.00 A. Peak 6035 from nnoeabs.peaks (1.15, 8.36, 119.31 ppm; 4.12 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 3 + H TYR 4 OK 100 100 100 100 2.4-4.2 4.4=81, 3.0/99=76...(18) HG3 LYS 82 - H GLU 63 far 0 55 0 - 6.2-8.1 HB2 LEU 29 - H TYR 4 far 0 99 0 - 8.0-10.1 QG2 THR 34 - H GLU 63 far 0 44 0 - 8.8-10.5 HB2 LEU 6 - H TYR 4 far 0 77 0 - 9.3-9.9 Violated in 3 structures by 0.01 A. Peak 6036 from nnoeabs.peaks (1.30, 8.36, 119.31 ppm; 4.71 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 3 + H TYR 4 OK 100 100 100 100 4.4-4.8 2.1/6037=90, 123=82...(18) HB3 LEU 2 + H TYR 4 OK 51 70 85 86 5.5-7.8 4.6/6032=51, 96/99=27...(9) QB ALA 67 - H GLU 63 poor 10 29 35 - 5.9-7.3 HG2 ARG 30 - H TYR 4 far 0 100 0 - 8.1-10.2 HB3 LEU 42 - H TYR 4 far 0 100 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 6037 from nnoeabs.peaks (0.26, 8.36, 119.31 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + H TYR 4 OK 100 100 100 100 3.2-4.0 131=80, 97/99=61...(19) Violated in 2 structures by 0.00 A. Peak 6038 from nnoeabs.peaks (0.46, 8.36, 119.31 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 3 + H TYR 4 OK 100 100 100 100 4.7-5.2 5.0=100 QD1 LEU 55 - H TYR 4 far 12 82 15 - 6.4-7.5 Violated in 12 structures by 0.04 A. Peak 6039 from nnoeabs.peaks (5.14, 8.36, 119.31 ppm; 2.82 A): 3 out of 4 assignments used, quality = 1.00: * HA TYR 4 + H TYR 4 OK 95 100 100 95 2.9-2.9 3.0=87, 146/4.6=20...(14) HA LEU 3 + H TYR 4 OK 92 96 100 96 2.2-2.5 99=64, 3.0/6035=26...(24) HA VAL 54 + H TYR 4 OK 86 96 100 90 2.2-2.9 10203=27, 6902/9293=21...(25) HA VAL 5 - H TYR 4 far 0 63 0 - 4.8-5.0 Violated in 0 structures by 0.00 A. Peak 6040 from nnoeabs.peaks (2.29, 8.36, 119.31 ppm; 3.36 A): 4 out of 7 assignments used, quality = 0.99: * HB2 TYR 4 + H TYR 4 OK 96 100 100 96 2.5-2.8 3.8=71, 9239/9227=28...(11) HG2 GLU 63 + H GLU 63 OK 56 58 100 96 1.5-1.8 1.8/2793=53, 3.0/2772=41...(19) HG2 GLU 62 + H GLU 63 OK 33 40 100 81 1.9-2.8 4300=18, 2729/3.6=17...(15) HG3 GLU 62 + H GLU 63 OK 30 40 100 74 2.3-3.8 4300=18, 1.8/4300=17...(10) HB2 GLU 48 - H TYR 4 far 0 100 0 - 9.2-12.2 HB2 TYR 41 - H TYR 4 far 0 88 0 - 9.6-11.7 HG2 GLU 23 - H TYR 4 far 0 91 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 6041 from nnoeabs.peaks (2.46, 8.36, 119.31 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 4 + H TYR 4 OK 100 100 100 100 3.7-3.9 3.8=100 HG3 GLU 48 - H TYR 4 far 0 79 0 - 8.6-10.4 HG3 GLU 99 - H TYR 4 far 0 92 0 - 8.6-13.5 Violated in 0 structures by 0.00 A. Peak 6042 from nnoeabs.peaks (6.43, 8.36, 119.31 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 4 + H TYR 4 OK 97 100 100 97 2.7-3.6 4.5=58, 6050/4.6=34...(21) QE TYR 4 + H TYR 4 OK 86 98 100 88 4.9-5.3 8126=26, 144/3.0=25...(17) Violated in 0 structures by 0.00 A. Peak 6044 from nnoeabs.peaks (8.92, 8.36, 119.31 ppm; 5.38 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + H TYR 4 OK 100 100 100 100 4.4-4.5 4.6=100 H ASP 77 - H TYR 4 far 0 79 0 - 8.1-9.1 H LEU 57 - H TYR 4 far 0 99 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 6045 from nnoeabs.peaks (8.92, 8.92, 119.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 5 + H VAL 5 OK 100 100 - 100 Peak 6046 from nnoeabs.peaks (8.36, 8.92, 119.95 ppm; 4.84 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 4 + H VAL 5 OK 100 100 100 100 4.4-4.5 4.6=100 H ILE 93 - H VAL 5 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 6047 from nnoeabs.peaks (5.14, 8.92, 119.95 ppm; 2.89 A): 3 out of 5 assignments used, quality = 0.99: * HA TYR 4 + H VAL 5 OK 97 100 100 97 2.3-2.5 146=75, 3.0/6049=31...(20) HA VAL 5 + H VAL 5 OK 63 63 100 99 2.9-2.9 3.0=94, 3.0/6053=37...(16) HA VAL 54 + H VAL 5 OK 32 96 50 68 4.0-4.8 10203/4.6=17...(15) HA LEU 3 - H VAL 5 far 0 96 0 - 6.3-6.5 HA ILE 7 - H VAL 5 far 0 98 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 6048 from nnoeabs.peaks (2.29, 8.92, 119.95 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HB2 TYR 4 + H VAL 5 OK 100 100 100 100 3.4-3.9 1.8/6049=88, 4.6=82...(17) HG2 GLU 23 - H VAL 5 far 0 91 0 - 7.1-11.2 HB2 TYR 41 - H VAL 5 far 0 88 0 - 7.5-9.1 Violated in 0 structures by 0.00 A. Peak 6049 from nnoeabs.peaks (2.46, 8.92, 119.95 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.99: * HB3 TYR 4 + H VAL 5 OK 99 100 100 99 2.2-2.8 3.0/146=70, 160=66...(15) HG3 GLU 23 - H VAL 5 far 0 73 0 - 8.0-10.2 Violated in 0 structures by 0.00 A. Peak 6050 from nnoeabs.peaks (6.43, 8.92, 119.95 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 4 + H VAL 5 OK 100 100 100 100 3.3-3.9 2.5/6049=74, 3.7/146=66...(21) QE TYR 4 - H VAL 5 far 15 98 15 - 5.5-6.0 Violated in 0 structures by 0.00 A. Peak 6052 from nnoeabs.peaks (5.11, 8.92, 119.95 ppm; 3.46 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 5 + H VAL 5 OK 100 100 100 100 2.9-2.9 3.0=100 HA TYR 4 + H VAL 5 OK 63 63 100 99 2.3-2.5 3.6=92, 3.0/6049=46...(19) HA LEU 3 - H VAL 5 far 0 90 0 - 6.3-6.5 HA ILE 7 - H VAL 5 far 0 85 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 6053 from nnoeabs.peaks (1.86, 8.92, 119.95 ppm; 3.47 A): 1 out of 6 assignments used, quality = 0.99: * HB VAL 5 + H VAL 5 OK 99 100 100 99 2.8-3.0 167=76, 2.1/6055=66...(20) HB VAL 54 - H VAL 5 far 0 87 0 - 6.0-7.3 HB2 LYS 53 - H VAL 5 far 0 92 0 - 7.1-8.3 HB3 LEU 57 - H VAL 5 far 0 63 0 - 8.4-9.2 HG LEU 42 - H VAL 5 far 0 68 0 - 8.5-10.9 HB2 ARG 19 - H VAL 5 far 0 75 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 6054 from nnoeabs.peaks (0.73, 8.92, 119.95 ppm; 3.62 A): 4 out of 14 assignments used, quality = 1.00: * QG1 VAL 5 + H VAL 5 OK 100 100 100 100 3.9-4.0 4.0=75, 2.1/6055=71...(20) QG1 VAL 54 + H VAL 5 OK 59 68 100 88 3.1-4.3 4.1/8161=23, 2.1/8183=19...(21) QD2 LEU 6 + H VAL 5 OK 47 57 95 86 2.9-5.4 4.6/6058=16...(23) QD2 LEU 27 + H VAL 5 OK 23 100 30 76 4.8-6.2 1219/8163=29...(11) QD1 ILE 56 - H VAL 5 poor 19 93 20 - 5.0-8.0 QG2 ILE 93 - H VAL 5 far 0 87 0 - 5.7-6.5 HG13 ILE 93 - H VAL 5 far 0 95 0 - 5.9-8.0 HG13 ILE 56 - H VAL 5 far 0 98 0 - 6.4-8.9 QD1 ILE 52 - H VAL 5 far 0 73 0 - 6.6-8.6 QG1 VAL 78 - H VAL 5 far 0 93 0 - 7.5-8.3 QG2 VAL 78 - H VAL 5 far 0 100 0 - 8.3-9.7 QD1 ILE 8 - H VAL 5 far 0 95 0 - 8.5-10.1 QD1 LEU 42 - H VAL 5 far 0 61 0 - 8.8-9.8 QG1 VAL 58 - H VAL 5 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6055 from nnoeabs.peaks (0.95, 8.92, 119.95 ppm; 3.48 A): 1 out of 4 assignments used, quality = 1.00: * QG2 VAL 5 + H VAL 5 OK 100 100 100 100 2.6-3.1 179=78, 2.1/6053=67...(17) HG LEU 55 - H VAL 5 far 0 94 0 - 6.4-7.6 QG1 VAL 32 - H VAL 5 far 0 57 0 - 9.1-10.2 QG2 THR 80 - H VAL 5 far 0 70 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 6056 from nnoeabs.peaks (9.31, 8.92, 119.95 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + H VAL 5 OK 100 100 100 100 4.2-4.4 4.7=100 Violated in 0 structures by 0.00 A. Peak 6057 from nnoeabs.peaks (9.31, 9.31, 126.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + H LEU 6 OK 100 100 - 100 Peak 6058 from nnoeabs.peaks (8.92, 9.31, 126.92 ppm; 4.01 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 5 + H LEU 6 OK 100 100 100 100 4.2-4.4 3.0/6059=80, 4.7=64...(19) H LEU 57 + H LEU 6 OK 98 99 100 100 3.3-4.2 9333=76, 6930/8216=63...(27) H ARG 19 - H LEU 6 far 0 94 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 6059 from nnoeabs.peaks (5.11, 9.31, 126.92 ppm; 2.90 A): 1 out of 4 assignments used, quality = 0.97: * HA VAL 5 + H LEU 6 OK 97 100 100 97 2.2-2.3 166=71, 3.2/178=33...(22) HA ILE 7 - H LEU 6 far 0 85 0 - 4.7-5.0 HA TYR 4 - H LEU 6 far 0 63 0 - 6.3-6.5 HA LEU 3 - H LEU 6 far 0 90 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 6060 from nnoeabs.peaks (1.86, 9.31, 126.92 ppm; 4.45 A): 2 out of 7 assignments used, quality = 1.00: * HB VAL 5 + H LEU 6 OK 100 100 100 100 3.6-4.2 4.4=100 HB3 LEU 57 + H LEU 6 OK 56 63 100 88 4.5-5.5 3.9/9333=52, 3.1/225=21...(16) HB VAL 54 - H LEU 6 far 9 87 10 - 5.0-6.9 HG LEU 42 - H LEU 6 far 0 68 0 - 7.5-10.1 HB ILE 8 - H LEU 6 far 0 70 0 - 7.8-8.9 HB2 LYS 53 - H LEU 6 far 0 92 0 - 8.7-10.2 HB2 ARG 19 - H LEU 6 far 0 75 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 6061 from nnoeabs.peaks (0.73, 9.31, 126.92 ppm; 3.07 A): 5 out of 19 assignments used, quality = 1.00: * QG1 VAL 5 + H LEU 6 OK 96 100 100 96 1.8-2.4 178=61, 3.2/6059=48...(21) QD1 ILE 56 + H LEU 6 OK 60 93 75 86 2.4-5.9 4.2/8216=27, 3.0/9311=25...(21) QD2 LEU 6 + H LEU 6 OK 52 57 100 90 2.8-4.4 3.1/6065=38, 2.1/209=36...(14) QG1 VAL 54 + H LEU 6 OK 46 68 100 68 3.4-4.2 4.1/9294=23, 10663=17...(14) HG13 ILE 56 + H LEU 6 OK 22 98 25 89 3.7-5.9 3.9/8216=29, 3.2/9311=24...(17) HG13 ILE 93 - H LEU 6 far 0 95 0 - 5.3-6.8 QD1 ILE 8 - H LEU 6 far 0 95 0 - 5.3-6.9 QG2 ILE 93 - H LEU 6 far 0 87 0 - 6.0-7.0 QG1 VAL 58 - H LEU 6 far 0 100 0 - 6.4-7.1 QG2 VAL 78 - H LEU 6 far 0 100 0 - 6.5-8.2 QG1 VAL 78 - H LEU 6 far 0 93 0 - 6.8-7.9 QD1 LEU 42 - H LEU 6 far 0 61 0 - 7.3-8.7 QD2 LEU 27 - H LEU 6 far 0 100 0 - 7.4-8.7 QD2 LEU 14 - H LEU 6 far 0 94 0 - 7.5-8.3 QD1 LEU 64 - H LEU 6 far 0 96 0 - 8.3-9.4 HG3 ARG 81 - H LEU 6 far 0 98 0 - 8.4-10.1 QD1 ILE 52 - H LEU 6 far 0 73 0 - 8.8-10.7 HG13 ILE 15 - H LEU 6 far 0 81 0 - 9.4-9.8 QD1 ILE 15 - H LEU 6 far 0 71 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 6062 from nnoeabs.peaks (0.95, 9.31, 126.92 ppm; 3.81 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 5 + H LEU 6 OK 100 100 100 100 3.8-4.0 4.1=78, 2.1/178=74...(14) HG LEU 55 + H LEU 6 OK 89 94 100 94 3.3-4.7 3.0/10371=42...(14) QG2 THR 80 - H LEU 6 far 0 70 0 - 6.3-7.0 QG2 VAL 83 - H LEU 6 far 0 95 0 - 7.1-7.8 QG1 VAL 32 - H LEU 6 far 0 57 0 - 7.4-8.5 HB2 ARG 81 - H LEU 6 far 0 97 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 6063 from nnoeabs.peaks (5.47, 9.31, 126.92 ppm; 3.99 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 2.9=100 Violated in 0 structures by 0.00 A. Peak 6064 from nnoeabs.peaks (1.18, 9.31, 126.92 ppm; 3.94 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 6 + H LEU 6 OK 100 100 100 100 3.5-3.9 4.0=95, 1.8/6065=83...(23) HB2 LEU 29 - H LEU 6 far 5 92 5 - 5.3-7.0 HB2 LEU 57 - H LEU 6 far 0 96 0 - 6.2-6.9 QG2 THR 31 - H LEU 6 far 0 59 0 - 6.8-7.3 HB3 LEU 3 - H LEU 6 far 0 77 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 6065 from nnoeabs.peaks (1.65, 9.31, 126.92 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 6 + H LEU 6 OK 100 100 100 100 2.4-2.9 4.0=74, 1.8/6064=65...(22) HB3 ARG 79 - H LEU 6 far 0 100 0 - 7.4-9.7 HB3 LYS 53 - H LEU 6 far 0 63 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 6066 from nnoeabs.peaks (1.52, 9.31, 126.92 ppm; 3.69 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 6 + H LEU 6 OK 100 100 100 100 2.9-4.8 209=67, 3.0/6065=58...(21) HG12 ILE 56 + H LEU 6 OK 68 100 70 97 3.6-5.8 3.9/8216=43, 3.2/9311=38...(19) HB ILE 7 + H LEU 6 OK 23 100 25 90 4.9-5.6 4.0/6071=35, 8253/2.9=35...(17) HG LEU 57 - H LEU 6 far 0 87 0 - 5.3-6.2 HG2 ARG 79 - H LEU 6 far 0 99 0 - 6.5-10.1 HG3 ARG 30 - H LEU 6 far 0 100 0 - 6.7-8.1 HG3 ARG 79 - H LEU 6 far 0 99 0 - 7.0-9.8 HB3 GLU 28 - H LEU 6 far 0 61 0 - 8.2-9.0 HB2 LEU 3 - H LEU 6 far 0 81 0 - 8.4-10.1 HB3 LEU 103 - H LEU 6 far 0 100 0 - 9.4-16.3 HB3 LEU 64 - H LEU 6 far 0 68 0 - 9.6-11.7 Violated in 7 structures by 0.08 A. Peak 6067 from nnoeabs.peaks (0.69, 9.31, 126.92 ppm; 3.28 A): 5 out of 14 assignments used, quality = 1.00: * QD2 LEU 6 + H LEU 6 OK 97 100 100 97 2.8-4.4 218/2.9=49, 3.1/6065=44...(15) QD1 ILE 56 + H LEU 6 OK 70 91 85 91 2.4-5.9 4.2/8216=31, 3.0/9311=29...(21) QG1 VAL 5 + H LEU 6 OK 54 57 100 94 1.8-2.4 3.2/6059=54, 4.1=50...(21) QD1 LEU 29 + H LEU 6 OK 34 71 70 68 2.9-5.8 10500/4.1=17, ~8684=17...(16) HG13 ILE 56 + H LEU 6 OK 22 81 30 91 3.7-5.9 3.9/8216=34, 3.2/9311=28...(17) QD1 ILE 8 - H LEU 6 far 0 88 0 - 5.3-6.9 QG2 VAL 54 - H LEU 6 far 0 73 0 - 5.9-6.8 QG1 VAL 58 - H LEU 6 far 0 70 0 - 6.4-7.1 QG2 VAL 78 - H LEU 6 far 0 68 0 - 6.5-8.2 QD1 LEU 42 - H LEU 6 far 0 100 0 - 7.3-8.7 QD2 LEU 14 - H LEU 6 far 0 90 0 - 7.5-8.3 QG2 VAL 58 - H LEU 6 far 0 99 0 - 8.0-8.9 QD1 LEU 14 - H LEU 6 far 0 99 0 - 8.3-8.9 QD1 ILE 52 - H LEU 6 far 0 99 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 6068 from nnoeabs.peaks (0.77, 9.31, 126.92 ppm; 3.49 A): 3 out of 19 assignments used, quality = 1.00: * QD1 LEU 6 + H LEU 6 OK 98 100 100 98 3.5-4.6 3.1/6065=50, 2.1/209=49...(17) QG1 VAL 54 + H LEU 6 OK 91 99 100 92 3.4-4.2 10663=43, 2504/9294=33...(15) QD2 LEU 57 + H LEU 6 OK 68 85 100 80 2.9-3.8 4.6/9333=27, 225=16...(18) QD1 ILE 93 - H LEU 6 far 5 100 5 - 4.9-6.1 HG13 ILE 93 - H LEU 6 far 0 82 0 - 5.3-6.8 QD2 LEU 42 - H LEU 6 far 0 100 0 - 5.4-6.6 QG2 ILE 7 - H LEU 6 far 0 81 0 - 5.9-6.3 QG2 ILE 93 - H LEU 6 far 0 92 0 - 6.0-7.0 QD1 LEU 27 - H LEU 6 far 0 100 0 - 6.3-7.0 QG1 VAL 78 - H LEU 6 far 0 85 0 - 6.8-7.9 QG2 ILE 15 - H LEU 6 far 0 59 0 - 7.9-8.4 QG2 ILE 8 - H LEU 6 far 0 96 0 - 8.2-8.7 QD1 LEU 64 - H LEU 6 far 0 79 0 - 8.3-9.4 HG3 ARG 81 - H LEU 6 far 0 75 0 - 8.4-10.1 QD2 LEU 2 - H LEU 6 far 0 61 0 - 9.1-12.9 QD1 ILE 76 - H LEU 6 far 0 77 0 - 9.1-10.4 HG13 ILE 15 - H LEU 6 far 0 96 0 - 9.4-9.8 QD1 ILE 15 - H LEU 6 far 0 99 0 - 9.5-10.0 QG2 ILE 52 - H LEU 6 far 0 99 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 6069 from nnoeabs.peaks (8.46, 9.31, 126.92 ppm; 4.82 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 7 + H LEU 6 OK 100 100 100 100 4.1-4.5 4.6=100 H VAL 54 - H LEU 6 far 0 73 0 - 6.8-8.3 H LEU 29 - H LEU 6 far 0 100 0 - 6.9-7.7 H VAL 32 - H LEU 6 far 0 90 0 - 7.3-8.4 H THR 31 - H LEU 6 far 0 61 0 - 7.8-8.2 H LYS 53 - H LEU 6 far 0 99 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 6070 from nnoeabs.peaks (8.46, 8.46, 119.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + H ILE 7 OK 100 100 - 100 Peak 6071 from nnoeabs.peaks (9.31, 8.46, 119.78 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + H ILE 7 OK 100 100 100 100 4.1-4.5 4.6=96, 2.9/6072=91...(25) H LYS 33 - H ILE 7 far 0 99 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 6072 from nnoeabs.peaks (5.47, 8.46, 119.78 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 6 + H ILE 7 OK 98 100 100 98 2.1-2.6 192=70, 3.0/6074=27...(26) Violated in 0 structures by 0.00 A. Peak 6073 from nnoeabs.peaks (1.18, 8.46, 119.78 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 6 + H ILE 7 OK 100 100 100 100 2.1-3.6 3.0/6072=74, 4.3=68...(28) QG2 THR 31 + H ILE 7 OK 54 59 100 91 3.6-4.2 2.1/8252=44, 8282/4.0=32...(14) HB2 LEU 29 - H ILE 7 far 0 92 0 - 5.7-7.6 HB2 LEU 57 - H ILE 7 far 0 96 0 - 6.4-7.1 QG2 THR 34 - H ILE 7 far 0 100 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 6074 from nnoeabs.peaks (1.65, 8.46, 119.78 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + H ILE 7 OK 100 100 100 100 3.1-4.5 4.3=91, 3.0/6072=84...(27) Violated in 2 structures by 0.02 A. Peak 6075 from nnoeabs.peaks (1.52, 8.46, 119.78 ppm; 3.37 A): 2 out of 9 assignments used, quality = 0.99: HB ILE 7 + H ILE 7 OK 98 100 100 98 2.5-3.1 4.0=62, 2.9/257=37...(23) * HG LEU 6 + H ILE 7 OK 68 100 70 97 2.8-5.4 3.7/6072=49, 3.0/6074=40...(21) HG12 ILE 56 - H ILE 7 far 0 100 0 - 5.7-8.2 HG3 ARG 30 - H ILE 7 far 0 100 0 - 6.0-6.9 HG LEU 57 - H ILE 7 far 0 87 0 - 6.9-7.6 HG3 LYS 33 - H ILE 7 far 0 91 0 - 7.6-9.8 HB3 GLU 28 - H ILE 7 far 0 61 0 - 8.9-10.4 HG2 LYS 33 - H ILE 7 far 0 88 0 - 9.3-11.2 HB3 LEU 64 - H ILE 7 far 0 68 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 6076 from nnoeabs.peaks (0.69, 8.46, 119.78 ppm; 3.47 A): 4 out of 13 assignments used, quality = 1.00: * QD2 LEU 6 + H ILE 7 OK 98 100 100 98 3.4-4.0 218/6072=56, 3.1/6074=41...(21) QD1 LEU 29 + H ILE 7 OK 60 71 100 83 2.3-4.7 2.1/1295=27, 4.6/8238=27...(20) QD1 ILE 8 + H ILE 7 OK 56 88 70 91 3.2-5.1 5.0/6084=23...(22) QG1 VAL 5 + H ILE 7 OK 32 57 80 71 3.9-5.1 4.1/6071=29...(16) QD1 ILE 56 - H ILE 7 poor 19 91 30 68 3.6-6.9 4.2/8251=16, 190/6072=12...(14) HG13 ILE 56 - H ILE 7 far 8 81 10 - 4.2-8.1 QG1 VAL 58 - H ILE 7 far 0 70 0 - 5.3-6.3 QD2 LEU 14 - H ILE 7 far 0 90 0 - 5.9-6.3 QD1 LEU 14 - H ILE 7 far 0 99 0 - 7.3-7.9 QG2 VAL 58 - H ILE 7 far 0 99 0 - 7.6-8.4 QD1 LEU 42 - H ILE 7 far 0 100 0 - 7.9-9.3 QG2 VAL 54 - H ILE 7 far 0 73 0 - 8.5-9.5 QG2 VAL 78 - H ILE 7 far 0 68 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 6077 from nnoeabs.peaks (0.77, 8.46, 119.78 ppm; 3.16 A): 2 out of 16 assignments used, quality = 0.98: * QD1 LEU 6 + H ILE 7 OK 92 100 100 92 2.4-4.2 4.0/6072=37, 3.1/6074=34...(16) QG2 ILE 7 + H ILE 7 OK 77 81 100 96 2.5-3.1 4.0=49, 2.1/6079=34...(23) QD2 LEU 57 - H ILE 7 far 13 85 15 - 4.0-5.8 QG2 ILE 15 - H ILE 7 far 0 59 0 - 5.0-5.8 QG2 ILE 8 - H ILE 7 far 0 96 0 - 5.4-6.5 HG13 ILE 15 - H ILE 7 far 0 96 0 - 5.8-6.2 QD1 ILE 93 - H ILE 7 far 0 100 0 - 5.9-7.2 QG1 VAL 54 - H ILE 7 far 0 99 0 - 6.0-7.1 QD2 LEU 42 - H ILE 7 far 0 100 0 - 6.5-7.6 QD1 ILE 15 - H ILE 7 far 0 99 0 - 6.6-7.0 HG13 ILE 93 - H ILE 7 far 0 82 0 - 7.5-9.4 QG2 ILE 93 - H ILE 7 far 0 92 0 - 8.0-9.2 QD1 LEU 27 - H ILE 7 far 0 100 0 - 8.4-9.8 QD1 LEU 64 - H ILE 7 far 0 79 0 - 9.1-10.1 QG1 VAL 78 - H ILE 7 far 0 85 0 - 9.1-9.9 QD2 LEU 70 - H ILE 7 far 0 63 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 6078 from nnoeabs.peaks (5.13, 8.46, 119.78 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 7 + H ILE 7 OK 100 100 100 100 2.8-2.9 3.0=100 HA VAL 5 - H ILE 7 far 0 85 0 - 5.9-6.5 HA VAL 54 - H ILE 7 far 0 81 0 - 8.8-9.9 HA TYR 4 - H ILE 7 far 0 98 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 6079 from nnoeabs.peaks (1.52, 8.46, 119.78 ppm; 3.37 A): 2 out of 8 assignments used, quality = 0.99: * HB ILE 7 + H ILE 7 OK 98 100 100 98 2.5-3.1 4.0=62, 2.9/257=37...(23) HG LEU 6 + H ILE 7 OK 68 100 70 97 2.8-5.4 3.7/6072=49, 3.0/6074=40...(21) HG12 ILE 56 - H ILE 7 far 0 99 0 - 5.7-8.2 HG3 ARG 30 - H ILE 7 far 0 99 0 - 6.0-6.9 HG LEU 57 - H ILE 7 far 0 91 0 - 6.9-7.6 HG3 LYS 33 - H ILE 7 far 0 94 0 - 7.6-9.8 HG2 LYS 33 - H ILE 7 far 0 84 0 - 9.3-11.2 HB3 LEU 64 - H ILE 7 far 0 73 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 6080 from nnoeabs.peaks (0.80, 8.46, 119.78 ppm; 3.05 A): 3 out of 15 assignments used, quality = 0.99: * QG2 ILE 7 + H ILE 7 OK 96 100 100 96 2.5-3.1 4.0=44, 2.1/6079=32...(24) QD1 LEU 6 + H ILE 7 OK 72 81 100 89 2.4-4.2 4.0/6072=34, 3.1/6074=31...(16) QG2 VAL 32 + H ILE 7 OK 55 71 100 77 2.5-4.0 2.1/8270=22...(20) QD2 LEU 57 - H ILE 7 far 10 100 10 - 4.0-5.8 QD2 LEU 38 - H ILE 7 far 0 87 0 - 4.9-7.5 QG2 ILE 15 - H ILE 7 far 0 99 0 - 5.0-5.8 QG2 ILE 8 - H ILE 7 far 0 98 0 - 5.4-6.5 QD1 ILE 93 - H ILE 7 far 0 79 0 - 5.9-7.2 QG1 VAL 54 - H ILE 7 far 0 63 0 - 6.0-7.1 QD1 LEU 57 - H ILE 7 far 0 79 0 - 6.5-7.4 QD2 LEU 42 - H ILE 7 far 0 73 0 - 6.5-7.6 QD1 ILE 15 - H ILE 7 far 0 59 0 - 6.6-7.0 QD1 LEU 27 - H ILE 7 far 0 77 0 - 8.4-9.8 QD1 LEU 70 - H ILE 7 far 0 95 0 - 8.6-11.8 QD2 LEU 70 - H ILE 7 far 0 99 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 6081 from nnoeabs.peaks (1.42, 8.46, 119.78 ppm; 3.96 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 7 + H ILE 7 OK 99 100 100 99 4.4-5.0 257=73, 237/3.0=61...(14) HG LEU 29 + H ILE 7 OK 54 99 60 91 4.1-6.6 1294/8238=39...(13) HG LEU 38 - H ILE 7 far 0 68 0 - 5.6-9.5 QB ALA 22 - H ILE 7 far 0 99 0 - 6.6-7.9 HB2 LEU 38 - H ILE 7 far 0 75 0 - 7.0-10.1 QB ALA 71 - H ILE 7 far 0 97 0 - 9.3-10.7 HB2 LEU 27 - H ILE 7 far 0 71 0 - 9.4-11.0 Violated in 18 structures by 0.25 A. Peak 6082 from nnoeabs.peaks (0.89, 8.46, 119.78 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * HG13 ILE 7 + H ILE 7 OK 99 100 100 99 4.4-5.2 4.5=73, 1.8/257=65...(14) HG13 ILE 8 + H ILE 7 OK 86 100 90 96 3.7-6.3 12203/8270=36...(16) QG1 VAL 32 + H ILE 7 OK 40 97 50 83 5.2-6.7 2.1/8270=48, 2.1/1407=23...(11) QD1 LEU 38 - H ILE 7 lone 3 71 45 11 4.8-8.6 10231/6074=3, 326/6076=2...(5) QD1 LEU 103 - H ILE 7 far 0 79 0 - 9.9-19.5 Violated in 9 structures by 0.10 A. Peak 6083 from nnoeabs.peaks (0.62, 8.46, 119.78 ppm; 3.86 A): 4 out of 5 assignments used, quality = 1.00: * QD1 ILE 7 + H ILE 7 OK 99 100 100 99 4.0-4.4 2.1/257=57, 4.7=55...(21) QD2 LEU 29 + H ILE 7 OK 87 90 100 97 2.1-5.2 1295=39, 4.6/8238=34...(22) QG2 ILE 56 + H ILE 7 OK 85 91 100 94 3.5-5.1 10672/6074=38...(16) QD1 LEU 29 + H ILE 7 OK 67 71 100 94 2.3-4.7 4.6/8238=34, 2.1/1295=33...(20) QG2 VAL 54 - H ILE 7 far 0 70 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 6084 from nnoeabs.peaks (8.80, 8.46, 119.78 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + H ILE 7 OK 100 100 100 100 4.2-4.5 4.7=98, 6087/3.0=93...(19) H ARG 81 - H ILE 7 far 0 59 0 - 8.4-9.2 H SER 59 - H ILE 7 far 0 100 0 - 8.6-9.2 H ALA 22 - H ILE 7 far 0 94 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 6085 from nnoeabs.peaks (8.80, 8.80, 128.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 8 + H ILE 8 OK 100 100 - 100 Peak 6086 from nnoeabs.peaks (8.46, 8.80, 128.92 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 7 + H ILE 8 OK 100 100 100 100 4.2-4.5 3.0/6087=89, 6084=87...(19) H VAL 32 + H ILE 8 OK 88 90 100 98 4.7-5.2 10147/3.0=55, 10517=36...(19) H THR 31 - H ILE 8 far 0 61 0 - 8.0-8.6 H ALA 67 - H ILE 8 far 0 90 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 6087 from nnoeabs.peaks (5.13, 8.80, 128.92 ppm; 2.87 A): 1 out of 3 assignments used, quality = 0.99: * HA ILE 7 + H ILE 8 OK 99 100 100 99 2.2-2.2 240=77, 3.0/256=30...(21) HA VAL 5 - H ILE 8 far 0 85 0 - 8.7-9.3 HA SER 85 - H ILE 8 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 6088 from nnoeabs.peaks (1.52, 8.80, 128.92 ppm; 4.20 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 7 + H ILE 8 OK 100 100 100 100 4.3-4.4 3.0/6087=83, 4.5=83...(21) HG LEU 57 - H ILE 8 far 0 91 0 - 6.1-6.8 HG LEU 6 - H ILE 8 far 0 100 0 - 6.7-8.2 HG12 ILE 56 - H ILE 8 far 0 99 0 - 6.9-8.6 HB3 LEU 64 - H ILE 8 far 0 73 0 - 7.1-8.1 HB2 LEU 14 - H ILE 8 far 0 100 0 - 7.9-8.8 HG3 LYS 33 - H ILE 8 far 0 94 0 - 8.7-10.0 HG2 LYS 66 - H ILE 8 far 0 75 0 - 9.6-12.2 HG3 LYS 66 - H ILE 8 far 0 79 0 - 9.7-11.9 Violated in 20 structures by 0.12 A. Peak 6089 from nnoeabs.peaks (0.80, 8.80, 128.92 ppm; 3.28 A): 3 out of 14 assignments used, quality = 1.00: * QG2 ILE 7 + H ILE 8 OK 99 100 100 99 3.0-3.3 256=58, 3.0/6087=57...(21) QG2 ILE 8 + H ILE 8 OK 96 98 100 98 3.8-4.0 2.1/6094=61, 4.0=55...(16) QG2 VAL 32 + H ILE 8 OK 41 71 85 68 4.3-5.3 10163/3.0=20...(12) QD2 LEU 57 - H ILE 8 far 5 100 5 - 4.5-5.7 QD1 ILE 15 - H ILE 8 far 0 59 0 - 5.2-5.8 QD1 LEU 57 - H ILE 8 far 0 79 0 - 5.6-6.1 QD1 LEU 6 - H ILE 8 far 0 81 0 - 5.7-7.1 QD2 LEU 38 - H ILE 8 far 0 87 0 - 5.7-7.7 QG2 ILE 15 - H ILE 8 far 0 99 0 - 5.8-6.6 QD1 ILE 93 - H ILE 8 far 0 79 0 - 7.3-8.0 QD2 LEU 42 - H ILE 8 far 0 73 0 - 8.5-9.8 QG1 VAL 54 - H ILE 8 far 0 63 0 - 8.6-9.2 QD1 LEU 70 - H ILE 8 far 0 95 0 - 9.1-12.2 QD2 LEU 103 - H ILE 8 far 0 81 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 6090 from nnoeabs.peaks (1.42, 8.80, 128.92 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 7 + H ILE 8 OK 100 100 100 100 2.5-3.9 264=69, 237/6087=59...(18) HG LEU 38 - H ILE 8 far 0 68 0 - 7.5-10.7 HG LEU 29 - H ILE 8 far 0 99 0 - 7.5-8.9 HB2 LEU 38 - H ILE 8 far 0 75 0 - 8.6-10.6 HD2 LYS 82 - H ILE 8 far 0 68 0 - 9.1-10.8 QB ALA 22 - H ILE 8 far 0 99 0 - 9.3-10.1 Violated in 1 structures by 0.00 A. Peak 6091 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 7 + H ILE 8 OK 100 100 100 100 2.3-4.1 1.8/6090=66, 3.9/6087=51...(18) HG13 ILE 8 + H ILE 8 OK 99 100 100 99 3.0-4.6 1.8/6096=72, 2.9/6094=60...(12) QD1 LEU 38 - H ILE 8 far 0 71 0 - 5.4-9.6 QG1 VAL 32 - H ILE 8 far 0 97 0 - 6.1-7.0 QD2 LEU 64 - H ILE 8 far 0 75 0 - 8.7-9.4 QD1 LEU 103 - H ILE 8 far 0 79 0 - 9.3-20.1 Violated in 1 structures by 0.00 A. Peak 6092 from nnoeabs.peaks (0.62, 8.80, 128.92 ppm; 4.00 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 7 + H ILE 8 OK 100 100 100 100 4.0-4.3 2.1/6090=73, 3.0/256=61...(17) QG2 ILE 56 + H ILE 8 OK 85 91 100 94 3.8-4.4 4.1/8292=43...(17) QD1 LEU 29 + H ILE 8 OK 23 71 45 70 5.1-7.0 255/256=16, 247/6088=14...(12) QD2 LEU 29 - H ILE 8 far 4 90 5 - 5.5-7.1 Violated in 0 structures by 0.00 A. Peak 6093 from nnoeabs.peaks (4.61, 8.80, 128.92 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 8 + H ILE 8 OK 100 100 100 100 2.9-2.9 3.0=100 HA THR 84 - H ILE 8 far 0 73 0 - 8.0-9.3 HA ASP 11 - H ILE 8 far 0 96 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 6094 from nnoeabs.peaks (1.90, 8.80, 128.92 ppm; 3.42 A): 1 out of 7 assignments used, quality = 0.99: * HB ILE 8 + H ILE 8 OK 99 100 100 99 2.7-3.0 3.8=75, 2.9/6096=50...(14) HB3 LEU 14 - H ILE 8 far 0 100 0 - 7.1-8.1 HB3 LYS 66 - H ILE 8 far 0 70 0 - 8.7-10.1 HB2 LYS 33 - H ILE 8 far 0 90 0 - 9.0-10.3 HB VAL 5 - H ILE 8 far 0 70 0 - 9.1-9.8 HB2 ARG 19 - H ILE 8 far 0 100 0 - 9.4-12.1 HB3 LYS 33 - H ILE 8 far 0 92 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 6095 from nnoeabs.peaks (0.79, 8.80, 128.92 ppm; 3.31 A): 2 out of 14 assignments used, quality = 1.00: * QG2 ILE 8 + H ILE 8 OK 98 100 100 98 3.8-4.0 2.1/6094=62, 4.0=56...(16) QG2 ILE 7 + H ILE 8 OK 97 98 100 99 3.0-3.3 256=58, 3.0/6087=58...(21) QD2 LEU 57 - H ILE 8 far 5 99 5 - 4.5-5.7 HG13 ILE 15 - H ILE 8 far 0 73 0 - 5.1-5.9 QD1 ILE 15 - H ILE 8 far 0 82 0 - 5.2-5.8 QD1 LEU 6 - H ILE 8 far 0 96 0 - 5.7-7.1 QD2 LEU 38 - H ILE 8 far 0 65 0 - 5.7-7.7 QG2 ILE 15 - H ILE 8 far 0 88 0 - 5.8-6.6 QD1 ILE 93 - H ILE 8 far 0 95 0 - 7.3-8.0 QD2 LEU 42 - H ILE 8 far 0 92 0 - 8.5-9.8 QG1 VAL 54 - H ILE 8 far 0 85 0 - 8.6-9.2 QD1 LEU 70 - H ILE 8 far 0 79 0 - 9.1-12.2 QD2 LEU 103 - H ILE 8 far 0 57 0 - 9.8-20.6 QG2 ILE 93 - H ILE 8 far 0 65 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 6096 from nnoeabs.peaks (1.36, 8.80, 128.92 ppm; 3.65 A): 1 out of 6 assignments used, quality = 0.99: * HG12 ILE 8 + H ILE 8 OK 99 100 100 99 2.7-3.5 2.9/6094=61, 305=51...(21) QB ALA 89 - H ILE 8 far 0 87 0 - 5.3-6.1 QB ALA 67 - H ILE 8 far 0 84 0 - 5.8-7.2 HG LEU 14 - H ILE 8 far 0 98 0 - 6.2-7.0 HB3 ARG 30 - H ILE 8 far 0 99 0 - 8.2-9.1 HB2 LYS 82 - H ILE 8 far 0 92 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 6097 from nnoeabs.peaks (0.89, 8.80, 128.92 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: HG13 ILE 7 + H ILE 8 OK 99 100 100 100 2.3-4.1 1.8/6090=66, 3.9/6087=51...(18) * HG13 ILE 8 + H ILE 8 OK 99 100 100 99 3.0-4.6 1.8/6096=72, 2.9/6094=60...(12) QD1 LEU 38 - H ILE 8 far 0 82 0 - 5.4-9.6 QG1 VAL 32 - H ILE 8 far 0 92 0 - 6.1-7.0 QD2 LEU 64 - H ILE 8 far 0 85 0 - 8.7-9.4 QD1 LEU 103 - H ILE 8 far 0 88 0 - 9.3-20.1 Violated in 1 structures by 0.00 A. Peak 6098 from nnoeabs.peaks (0.71, 8.80, 128.92 ppm; 3.55 A): 4 out of 14 assignments used, quality = 1.00: * QD1 ILE 8 + H ILE 8 OK 99 100 100 99 2.3-4.4 2.1/6096=65, 3.2/6094=53...(19) QG1 VAL 58 + H ILE 8 OK 97 99 100 98 2.9-3.6 3.2/8298=48...(22) QD2 LEU 14 + H ILE 8 OK 73 100 100 73 3.7-4.4 10273/6090=21...(15) QG2 VAL 58 + H ILE 8 OK 38 70 60 90 4.8-5.2 3.2/8298=48, 2.1/2660=31...(16) QD1 ILE 56 - H ILE 8 far 5 100 5 - 5.0-7.7 QD1 LEU 14 - H ILE 8 far 0 73 0 - 5.1-5.5 HG13 ILE 56 - H ILE 8 far 0 100 0 - 5.9-8.2 QG1 VAL 5 - H ILE 8 far 0 95 0 - 6.1-6.9 QD2 LEU 6 - H ILE 8 far 0 88 0 - 6.6-7.2 QD1 LEU 64 - H ILE 8 far 0 73 0 - 7.2-8.1 HG13 ILE 93 - H ILE 8 far 0 70 0 - 8.9-10.0 QD1 LEU 42 - H ILE 8 far 0 91 0 - 9.4-10.8 QG2 VAL 78 - H ILE 8 far 0 98 0 - 9.4-10.5 HG3 ARG 81 - H ILE 8 far 0 77 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6099 from nnoeabs.peaks (7.81, 8.80, 128.92 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * H SER 9 + H ILE 8 OK 100 100 100 100 3.5-3.7 4.6=100 H LYS 66 - H ILE 8 far 0 99 0 - 9.8-10.8 HE ARG 30 - H ILE 8 far 0 90 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 6100 from nnoeabs.peaks (7.81, 7.81, 116.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + H SER 9 OK 100 100 - 100 Peak 6101 from nnoeabs.peaks (8.80, 7.81, 116.36 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 8 + H SER 9 OK 100 100 100 100 3.5-3.7 3.0/6102=87, 4.6=73...(18) H SER 59 + H SER 9 OK 44 100 50 89 5.1-6.0 9396/4.1=44...(9) Violated in 0 structures by 0.00 A. Peak 6102 from nnoeabs.peaks (4.61, 7.81, 116.36 ppm; 2.67 A): 1 out of 3 assignments used, quality = 0.89: * HA ILE 8 + H SER 9 OK 89 100 100 89 2.3-2.3 288=46, 3.0/6103=22...(21) HA ASP 11 - H SER 9 far 0 96 0 - 7.3-7.6 HA THR 84 - H SER 9 far 0 73 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 6103 from nnoeabs.peaks (1.90, 7.81, 116.36 ppm; 4.24 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 8 + H SER 9 OK 100 100 100 100 4.3-4.5 3.0/6102=88, 4.4=87...(15) HB3 LEU 14 - H SER 9 far 0 100 0 - 6.3-7.2 HB2 LYS 33 - H SER 9 far 0 90 0 - 6.5-8.0 HB3 LYS 33 - H SER 9 far 0 92 0 - 7.9-9.1 HB2 LYS 12 - H SER 9 far 0 75 0 - 8.2-9.4 HB3 LYS 12 - H SER 9 far 0 79 0 - 8.7-9.8 HB2 ARG 19 - H SER 9 far 0 100 0 - 9.4-12.1 HB3 LYS 66 - H SER 9 far 0 70 0 - 9.8-11.3 Violated in 20 structures by 0.18 A. Peak 6104 from nnoeabs.peaks (0.79, 7.81, 116.36 ppm; 3.05 A): 4 out of 9 assignments used, quality = 1.00: * QG2 ILE 8 + H SER 9 OK 95 100 100 95 3.4-3.6 3.2/6102=50, 4.1=41...(17) QG2 ILE 7 + H SER 9 OK 93 98 100 94 2.6-2.9 8267/6109=27...(22) QD1 ILE 15 + H SER 9 OK 63 82 100 77 2.9-3.4 8467/8314=19, 8436=19...(16) HG13 ILE 15 + H SER 9 OK 49 73 100 67 3.0-4.2 2.1/8436=24...(12) QG2 ILE 15 - H SER 9 far 0 88 0 - 4.6-5.6 QD2 LEU 38 - H SER 9 far 0 65 0 - 6.5-8.7 QD1 LEU 6 - H SER 9 far 0 96 0 - 6.8-8.7 QD2 LEU 57 - H SER 9 far 0 99 0 - 7.3-8.5 QD1 ILE 93 - H SER 9 far 0 95 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 6105 from nnoeabs.peaks (1.36, 7.81, 116.36 ppm; 4.52 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 8 + H SER 9 OK 100 100 100 100 4.6-5.3 4.1/6102=75, 2.9/6103=70...(15) HG LEU 14 - H SER 9 far 0 98 0 - 6.5-7.7 QB ALA 89 - H SER 9 far 0 87 0 - 6.9-7.6 QB ALA 67 - H SER 9 far 0 84 0 - 7.6-9.1 HB3 ARG 30 - H SER 9 far 0 99 0 - 9.2-10.2 Violated in 20 structures by 0.49 A. Peak 6106 from nnoeabs.peaks (0.89, 7.81, 116.36 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: HG13 ILE 7 + H SER 9 OK 98 100 100 98 4.4-4.9 2.9/8315=38...(17) * HG13 ILE 8 + H SER 9 OK 84 100 85 99 4.9-5.8 4.1/6102=56, 1.8/6105=56...(14) QG1 VAL 32 - H SER 9 far 0 92 0 - 6.2-7.4 QD1 LEU 38 - H SER 9 far 0 82 0 - 6.5-10.9 Violated in 20 structures by 0.41 A. Peak 6107 from nnoeabs.peaks (0.71, 7.81, 116.36 ppm; 4.03 A): 2 out of 10 assignments used, quality = 0.95: QD2 LEU 14 + H SER 9 OK 93 100 100 93 3.9-4.4 8324/6109=33...(19) QG1 VAL 58 + H SER 9 OK 26 99 30 89 5.4-6.1 10224/6103=36...(13) ! QD1 ILE 8 - H SER 9 poor 20 100 20 99 4.9-5.6 4.1/6102=63, 2.1/6105=60...(13) QD1 LEU 14 - H SER 9 far 0 73 0 - 5.8-6.3 QG2 VAL 58 - H SER 9 far 0 70 0 - 6.6-7.2 QD1 ILE 56 - H SER 9 far 0 100 0 - 7.2-10.4 QD2 LEU 6 - H SER 9 far 0 88 0 - 8.3-8.8 QG1 VAL 5 - H SER 9 far 0 95 0 - 8.4-9.1 HG13 ILE 56 - H SER 9 far 0 100 0 - 8.7-11.3 QD1 LEU 64 - H SER 9 far 0 73 0 - 9.7-10.6 Violated in 17 structures by 0.08 A. Peak 6108 from nnoeabs.peaks (4.43, 7.81, 116.36 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 9 + H SER 9 OK 100 100 100 100 2.9-2.9 2.9=100 HA VAL 32 - H SER 9 far 0 94 0 - 6.5-7.7 Violated in 0 structures by 0.00 A. Peak 6109 from nnoeabs.peaks (2.99, 7.81, 116.36 ppm; 3.66 A): 1 out of 6 assignments used, quality = 0.98: * HB2 SER 9 + H SER 9 OK 98 100 100 98 2.8-3.2 4.0=74, 1.8/6110=65...(16) HE2 LYS 33 - H SER 9 far 0 79 0 - 5.5-8.7 HE3 LYS 33 - H SER 9 far 0 79 0 - 5.8-8.5 HB3 ASP 11 - H SER 9 far 0 100 0 - 6.7-7.9 HE2 LYS 12 - H SER 9 far 0 96 0 - 6.7-11.0 HE3 LYS 12 - H SER 9 far 0 84 0 - 7.3-11.7 Violated in 0 structures by 0.00 A. Peak 6110 from nnoeabs.peaks (3.92, 7.81, 116.36 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 9 + H SER 9 OK 100 100 100 100 3.1-3.5 4.0=95, 1.8/6109=83...(16) HA GLU 63 - H SER 9 far 0 98 0 - 8.3-9.2 HA ALA 89 - H SER 9 far 0 85 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 6111 from nnoeabs.peaks (8.64, 7.81, 116.36 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 10 + H SER 9 OK 100 100 100 100 4.3-4.4 4.6=100 H ASP 11 + H SER 9 OK 70 73 100 96 4.6-5.0 10387/2.9=51...(14) H ALA 18 - H SER 9 far 0 97 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 6112 from nnoeabs.peaks (8.64, 8.64, 122.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + H ASN 10 OK 100 100 - 100 H ALA 18 + H ALA 18 OK 79 79 - 100 Peak 6113 from nnoeabs.peaks (7.81, 8.64, 122.61 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * H SER 9 + H ASN 10 OK 100 100 100 100 4.3-4.4 4.6=100 H LYS 20 + H ALA 18 OK 73 74 100 99 4.0-4.6 6296=80, 6298/6281=73...(15) H SER 9 - H ALA 18 far 0 85 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 6114 from nnoeabs.peaks (4.43, 8.64, 122.61 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.95: * HA SER 9 + H ASN 10 OK 95 100 100 95 2.2-2.5 3.6=71, 3.0/6116=31...(13) HA MET 21 - H ALA 18 far 0 75 0 - 6.9-7.4 HB THR 84 - H ASN 10 far 0 99 0 - 8.0-10.6 HA VAL 32 - H ASN 10 far 0 94 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 6115 from nnoeabs.peaks (2.99, 8.64, 122.61 ppm; 4.05 A): 2 out of 14 assignments used, quality = 1.00: * HB2 SER 9 + H ASN 10 OK 100 100 100 100 3.4-4.1 3.0/6114=74, 4.6=69...(17) HB3 ASP 11 + H ASN 10 OK 47 100 65 73 5.4-5.7 3.0/10385=31...(8) HE2 LYS 12 - H ASN 10 far 0 96 0 - 6.2-10.8 HE2 LYS 33 - H ASN 10 far 0 79 0 - 7.5-11.2 HE3 LYS 12 - H ASN 10 far 0 84 0 - 7.6-11.9 HE3 LYS 33 - H ASN 10 far 0 79 0 - 7.7-11.1 HB3 ASP 11 - H ALA 18 far 0 84 0 - 7.7-8.5 HE3 LYS 13 - H ALA 18 far 0 54 0 - 8.0-10.7 HB2 SER 9 - H ALA 18 far 0 85 0 - 8.0-9.5 HE2 LYS 13 - H ALA 18 far 0 57 0 - 8.3-10.6 HE2 LYS 13 - H ASN 10 far 0 75 0 - 9.2-10.7 HE3 LYS 13 - H ASN 10 far 0 71 0 - 9.7-11.1 HE3 LYS 12 - H ALA 18 far 0 65 0 - 9.8-12.5 HE2 LYS 12 - H ALA 18 far 0 77 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6116 from nnoeabs.peaks (3.92, 8.64, 122.61 ppm; 4.47 A): 1 out of 6 assignments used, quality = 1.00: * HB3 SER 9 + H ASN 10 OK 100 100 100 100 3.3-4.1 4.6=92, 3.0/6114=84...(11) HA ALA 89 - H ALA 18 far 0 66 0 - 6.3-7.4 HB3 SER 9 - H ALA 18 far 0 85 0 - 8.3-9.7 HA ARG 91 - H ALA 18 far 0 45 0 - 8.7-10.3 HA GLU 63 - H ASN 10 far 0 98 0 - 9.4-10.9 HB2 SER 85 - H ALA 18 far 0 69 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 6117 from nnoeabs.peaks (4.94, 8.64, 122.61 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 10 + H ASN 10 OK 100 100 100 100 2.9-2.9 3.0=100 HA ARG 30 - H ALA 18 far 0 62 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 6118 from nnoeabs.peaks (2.93, 8.64, 122.61 ppm; 3.80 A): 1 out of 13 assignments used, quality = 0.99: * HB2 ASN 10 + H ASN 10 OK 99 100 100 99 2.2-3.1 4.0=87, 1.8/6119=78...(8) HE3 LYS 90 - H ALA 18 poor 17 83 45 45 4.3-8.1 11024/757=10, 8490/2.9=7...(14) HE3 LYS 20 - H ALA 18 poor 9 78 35 33 4.7-7.7 7.3/6296=13, 938/3.6=7...(9) HG2 MET 21 - H ALA 18 far 4 80 5 - 5.1-7.0 HE2 LYS 20 - H ALA 18 far 4 77 5 - 5.3-7.5 HB2 ASN 60 - H ASN 10 far 0 65 0 - 6.8-8.5 HE3 LYS 12 - H ASN 10 far 0 63 0 - 7.6-11.9 HE3 LYS 13 - H ALA 18 far 0 59 0 - 8.0-10.7 HE2 LYS 13 - H ALA 18 far 0 55 0 - 8.3-10.6 HE2 LYS 13 - H ASN 10 far 0 73 0 - 9.2-10.7 HE3 LYS 13 - H ASN 10 far 0 77 0 - 9.7-11.1 HE3 LYS 12 - H ALA 18 far 0 47 0 - 9.8-12.5 HE2 LYS 94 - H ALA 18 far 0 83 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 6119 from nnoeabs.peaks (2.75, 8.64, 122.61 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.97: * HB3 ASN 10 + H ASN 10 OK 97 100 100 97 2.2-3.6 4.0=78, 1.8/6118=55...(8) Violated in 0 structures by 0.00 A. Peak 6121 from nnoeabs.peaks (7.61, 8.64, 122.61 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.99: * HD22 ASN 10 + H ASN 10 OK 99 100 100 99 3.9-5.0 3.5/6119=87, 5.6=85...(4) H GLU 88 - H ALA 18 far 0 52 0 - 8.5-9.5 H LYS 24 - H ALA 18 far 0 55 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6123 from nnoeabs.peaks (6.98, 6.98, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HD21 ASN 10 OK 100 100 - 100 Peak 6124 from nnoeabs.peaks (8.64, 6.98, 113.40 ppm; 5.65 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HD21 ASN 10 OK 100 100 100 100 5.0-5.5 5.6=100 H ASP 11 + HD21 ASN 10 OK 71 73 100 97 6.5-6.7 6138/3.5=55, 6139/3.5=54...(5) Violated in 0 structures by 0.00 A. Peak 6125 from nnoeabs.peaks (4.94, 6.98, 113.40 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HD21 ASN 10 OK 100 100 100 100 3.5-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 6126 from nnoeabs.peaks (2.93, 6.98, 113.40 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 10 + HD21 ASN 10 OK 100 100 100 100 3.5-4.1 3.5=100 HE3 LYS 12 - HD21 ASN 10 far 3 63 5 - 5.6-11.9 HB2 ASN 60 - HD21 ASN 10 far 0 65 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 6127 from nnoeabs.peaks (2.75, 6.98, 113.40 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HD21 ASN 10 OK 100 100 100 100 3.5-3.8 3.5=100 Violated in 3 structures by 0.00 A. Peak 6128 from nnoeabs.peaks (7.61, 6.98, 113.40 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 6129 from nnoeabs.peaks (7.61, 7.61, 113.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HD22 ASN 10 OK 100 100 - 100 Peak 6130 from nnoeabs.peaks (8.64, 7.61, 113.40 ppm; 5.83 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HD22 ASN 10 OK 100 100 100 100 3.9-5.0 5.6=100 H ASP 11 + HD22 ASN 10 OK 73 73 100 100 5.4-5.8 6141=65, 4.6/6121=63...(7) Violated in 0 structures by 0.00 A. Peak 6131 from nnoeabs.peaks (4.94, 7.61, 113.40 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HD22 ASN 10 OK 100 100 100 100 2.6-4.3 4.4=100 Violated in 0 structures by 0.00 A. Peak 6132 from nnoeabs.peaks (2.93, 7.61, 113.40 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 10 + HD22 ASN 10 OK 100 100 100 100 2.2-3.5 3.5=100 HE3 LYS 12 - HD22 ASN 10 far 6 63 10 - 4.4-12.3 HB2 ASN 60 - HD22 ASN 10 far 0 65 0 - 8.5-12.2 Violated in 0 structures by 0.00 A. Peak 6133 from nnoeabs.peaks (2.75, 7.61, 113.40 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HD22 ASN 10 OK 100 100 100 100 2.2-2.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 6134 from nnoeabs.peaks (6.98, 7.61, 113.40 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HD22 ASN 10 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6135 from nnoeabs.peaks (8.67, 8.67, 122.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ASP 11 + H ASP 11 OK 100 100 - 100 H ALA 18 + H ALA 18 OK 55 55 - 100 Peak 6137 from nnoeabs.peaks (4.94, 8.67, 122.72 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 10 + H ASP 11 OK 100 100 100 100 3.2-3.3 3.6=100 HA ARG 30 - H ALA 18 far 0 45 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 6138 from nnoeabs.peaks (2.93, 8.67, 122.72 ppm; 3.60 A): 1 out of 13 assignments used, quality = 0.96: * HB2 ASN 10 + H ASP 11 OK 96 100 100 96 3.5-3.8 1.8/6139=51, 4.6=47...(11) HE3 LYS 90 - H ALA 18 poor 9 62 40 36 4.3-8.1 11024/757=8, 8490/2.9=6...(11) HE3 LYS 20 - H ALA 18 far 6 58 10 - 4.7-7.7 HG2 MET 21 - H ALA 18 far 0 60 0 - 5.1-7.0 HE2 LYS 20 - H ALA 18 far 0 57 0 - 5.3-7.5 HE3 LYS 12 - H ASP 11 far 0 63 0 - 6.7-10.0 HE2 LYS 13 - H ASP 11 far 0 73 0 - 7.3-8.6 HE3 LYS 13 - H ASP 11 far 0 77 0 - 7.6-8.8 HE3 LYS 13 - H ALA 18 far 0 42 0 - 8.0-10.7 HE2 LYS 13 - H ALA 18 far 0 40 0 - 8.3-10.6 HB2 ASN 60 - H ASP 11 far 0 65 0 - 8.8-10.4 HE3 LYS 12 - H ALA 18 far 0 33 0 - 9.8-12.5 HE2 LYS 94 - H ALA 18 far 0 62 0 - 10.0-12.1 Violated in 13 structures by 0.05 A. Peak 6139 from nnoeabs.peaks (2.75, 8.67, 122.72 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + H ASP 11 OK 100 100 100 100 3.8-4.1 4.6=87, 1.8/6138=86...(10) Violated in 0 structures by 0.00 A. Peak 6141 from nnoeabs.peaks (7.61, 8.67, 122.72 ppm; 5.80 A): 1 out of 3 assignments used, quality = 1.00: * HD22 ASN 10 + H ASP 11 OK 100 100 100 100 5.4-5.8 3.5/6138=87, 3.5/6139=86...(6) H GLU 88 - H ALA 18 far 0 37 0 - 8.5-9.5 H LYS 24 - H ALA 18 far 0 40 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 6142 from nnoeabs.peaks (4.60, 8.67, 122.72 ppm; 3.56 A): 1 out of 4 assignments used, quality = 1.00: * HA ASP 11 + H ASP 11 OK 100 100 100 100 2.9-2.9 3.0=100 HA THR 84 - H ASP 11 far 0 95 0 - 6.7-8.4 HA ILE 8 - H ASP 11 far 0 96 0 - 6.9-7.2 HA ASP 11 - H ALA 18 far 0 64 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 6143 from nnoeabs.peaks (2.43, 8.67, 122.72 ppm; 3.29 A): 3 out of 6 assignments used, quality = 0.98: * HB2 ASP 11 + H ASP 11 OK 95 100 100 95 2.1-3.0 4.0=56, 1.8/6144=36...(14) HG3 GLU 17 + H ALA 18 OK 58 64 100 91 3.9-4.7 758/6259=34, 3.0/742=31...(15) HB3 MET 21 + H ALA 18 OK 21 38 80 69 4.5-6.4 ~959=23, ~770=15...(15) HG3 MET 21 - H ALA 18 far 0 40 0 - 4.9-7.1 HB2 ASP 11 - H ALA 18 far 0 64 0 - 8.8-9.9 HG3 GLU 17 - H ASP 11 far 0 100 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 6144 from nnoeabs.peaks (2.99, 8.67, 122.72 ppm; 3.13 A): 2 out of 14 assignments used, quality = 0.99: HB2 SER 9 + H ASP 11 OK 91 100 100 91 2.8-4.1 2.8/8372=41...(19) * HB3 ASP 11 + H ASP 11 OK 86 100 100 86 3.1-3.6 4.0=48, 1.8/6143=35...(13) HE2 LYS 12 - H ASP 11 far 0 98 0 - 5.2-9.1 HE3 LYS 12 - H ASP 11 far 0 79 0 - 6.7-10.0 HE2 LYS 13 - H ASP 11 far 0 70 0 - 7.3-8.6 HE3 LYS 13 - H ASP 11 far 0 65 0 - 7.6-8.8 HB3 ASP 11 - H ALA 18 far 0 64 0 - 7.7-8.5 HE2 LYS 33 - H ASP 11 far 0 84 0 - 8.0-11.5 HE3 LYS 13 - H ALA 18 far 0 35 0 - 8.0-10.7 HB2 SER 9 - H ALA 18 far 0 64 0 - 8.0-9.5 HE3 LYS 33 - H ASP 11 far 0 84 0 - 8.2-11.7 HE2 LYS 13 - H ALA 18 far 0 37 0 - 8.3-10.6 HE3 LYS 12 - H ALA 18 far 0 43 0 - 9.8-12.5 HE2 LYS 12 - H ALA 18 far 0 59 0 - 9.9-12.2 Violated in 1 structures by 0.00 A. Peak 6145 from nnoeabs.peaks (8.56, 8.67, 122.72 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.97: * H LYS 12 + H ASP 11 OK 97 100 100 97 3.9-4.0 369/3.0=75, 4.7=59...(12) H LYS 12 - H ALA 18 far 0 64 0 - 9.1-9.7 H VAL 58 - H ASP 11 far 0 92 0 - 9.7-10.5 Violated in 20 structures by 0.09 A. Peak 6146 from nnoeabs.peaks (8.56, 8.56, 125.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 12 + H LYS 12 OK 100 100 - 100 Peak 6147 from nnoeabs.peaks (8.67, 8.56, 125.74 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 11 + H LYS 12 OK 100 100 100 100 3.9-4.0 4.7=100 H ASN 10 + H LYS 12 OK 67 73 100 91 5.6-6.0 4.6/6145=64, 365/369=32...(8) H ALA 18 - H LYS 12 far 0 94 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 6148 from nnoeabs.peaks (4.60, 8.56, 125.74 ppm; 3.05 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 11 + H LYS 12 OK 100 100 100 100 2.3-2.3 369=100, 3.0/6145=36...(11) HA ILE 8 - H LYS 12 far 0 96 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 6149 from nnoeabs.peaks (2.43, 8.56, 125.74 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 11 + H LYS 12 OK 100 100 100 100 4.5-4.7 4.5=100 HG3 GLU 17 - H LYS 12 far 0 100 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 6150 from nnoeabs.peaks (2.99, 8.56, 125.74 ppm; 5.27 A): 4 out of 8 assignments used, quality = 1.00: * HB3 ASP 11 + H LYS 12 OK 100 100 100 100 4.1-4.3 4.5=100 HE2 LYS 12 + H LYS 12 OK 98 98 100 100 3.4-5.5 464/6155=81, 460/2.9=73...(17) HE3 LYS 12 + H LYS 12 OK 79 79 100 100 4.2-6.2 4.0/6155=80, ~460=56...(17) HB2 SER 9 + H LYS 12 OK 75 100 80 93 6.0-7.8 6144/6145=45, 368/369=36...(11) HE2 LYS 13 - H LYS 12 far 7 70 10 - 6.6-8.3 HE3 LYS 13 - H LYS 12 far 7 65 10 - 6.7-7.8 HE2 LYS 33 - H LYS 12 far 0 84 0 - 8.0-11.3 HE3 LYS 33 - H LYS 12 far 0 84 0 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 6151 from nnoeabs.peaks (3.85, 8.56, 125.74 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 12 + H LYS 12 OK 100 100 100 100 2.7-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 6152 from nnoeabs.peaks (1.86, 8.56, 125.74 ppm; 3.16 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 12 + H LYS 12 OK 97 100 100 97 2.1-2.8 4.0=50, 3.0/6155=41...(18) * HB2 LYS 12 + H LYS 12 OK 97 100 100 97 3.0-3.6 4.0=50, 3.0/6155=41...(15) HB3 LEU 14 - H LYS 12 far 0 61 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 6153 from nnoeabs.peaks (1.87, 8.56, 125.74 ppm; 3.16 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LYS 12 + H LYS 12 OK 97 100 100 97 2.1-2.8 4.0=50, 3.0/6155=41...(18) HB2 LYS 12 + H LYS 12 OK 97 100 100 97 3.0-3.6 4.0=50, 3.0/6155=41...(15) HB3 LEU 14 - H LYS 12 far 0 65 0 - 5.7-5.9 Violated in 0 structures by 0.00 A. Peak 6154 from nnoeabs.peaks (1.45, 8.56, 125.74 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 12 + H LYS 12 OK 100 100 100 100 1.8-4.3 1.8/6155=88, 384/2.9=79...(21) HG2 LYS 13 + H LYS 12 OK 88 96 100 92 4.0-4.3 4.8/6163=48, 415=46...(12) HG12 ILE 7 - H LYS 12 far 0 91 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 6155 from nnoeabs.peaks (1.59, 8.56, 125.74 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 12 + H LYS 12 OK 100 100 100 100 2.8-4.2 426=88, ~384=38...(20) HG2 ARG 19 - H LYS 12 far 0 99 0 - 9.5-12.4 Violated in 3 structures by 0.06 A. Peak 6156 from nnoeabs.peaks (1.70, 8.56, 125.74 ppm; 4.51 A): 4 out of 9 assignments used, quality = 1.00: * HD2 LYS 12 + H LYS 12 OK 100 100 100 100 3.8-4.9 3.0/6155=77, ~384=39...(21) HD3 LYS 12 + H LYS 12 OK 100 100 100 100 4.2-5.9 3.0/6155=77, ~384=39...(20) HB ILE 15 + H LYS 12 OK 78 79 100 99 4.5-5.3 3.2/8380=64, 644/2.9=57...(19) HG12 ILE 15 + H LYS 12 OK 69 100 70 99 5.5-6.3 2.1/8380=78, ~8446=50...(17) HD3 LYS 13 - H LYS 12 poor 20 100 20 - 4.2-6.7 HD2 LYS 13 - H LYS 12 poor 15 100 20 77 4.4-6.6 6.0/6163=37, 3.0/6154=32...(10) HD2 LYS 33 - H LYS 12 far 0 87 0 - 8.9-10.7 HG2 PRO 86 - H LYS 12 far 0 99 0 - 9.2-10.1 HD3 LYS 33 - H LYS 12 far 0 87 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 6157 from nnoeabs.peaks (1.70, 8.56, 125.74 ppm; 4.51 A): 4 out of 9 assignments used, quality = 1.00: HD2 LYS 12 + H LYS 12 OK 100 100 100 100 3.8-4.9 3.0/6155=77, ~384=39...(21) * HD3 LYS 12 + H LYS 12 OK 100 100 100 100 4.2-5.9 3.0/6155=77, ~384=39...(20) HB ILE 15 + H LYS 12 OK 78 79 100 99 4.5-5.3 3.2/8380=64, 644/2.9=57...(19) HG12 ILE 15 + H LYS 12 OK 69 100 70 99 5.5-6.3 2.1/8380=78, ~8446=50...(17) HD3 LYS 13 - H LYS 12 poor 20 100 20 - 4.2-6.7 HD2 LYS 13 - H LYS 12 poor 15 100 20 77 4.4-6.6 6.0/6163=37, 3.0/6154=32...(10) HD2 LYS 33 - H LYS 12 far 0 87 0 - 8.9-10.7 HG2 PRO 86 - H LYS 12 far 0 99 0 - 9.2-10.1 HD3 LYS 33 - H LYS 12 far 0 87 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 6158 from nnoeabs.peaks (3.01, 8.56, 125.74 ppm; 5.25 A): 3 out of 5 assignments used, quality = 1.00: * HE2 LYS 12 + H LYS 12 OK 100 100 100 100 3.4-5.5 464/6155=83, 460/2.9=75...(17) HB3 ASP 11 + H LYS 12 OK 98 98 100 100 4.1-4.3 4.5=100 HB2 SER 9 + H LYS 12 OK 71 96 80 92 6.0-7.8 6144/6145=43, 368/369=35...(11) HE2 LYS 33 - H LYS 12 far 0 98 0 - 8.0-11.3 HE3 LYS 33 - H LYS 12 far 0 98 0 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 6159 from nnoeabs.peaks (2.96, 8.56, 125.74 ppm; 5.67 A): 5 out of 6 assignments used, quality = 1.00: * HE3 LYS 12 + H LYS 12 OK 100 100 100 100 4.2-6.2 4.0/6155=87...(18) HB3 ASP 11 + H LYS 12 OK 79 79 100 100 4.1-4.3 4.5=100 HB2 ASN 10 + H LYS 12 OK 61 63 100 95 4.8-6.1 4.6/6145=76, 8355/369=37...(6) HB2 SER 9 + H LYS 12 OK 60 84 80 89 6.0-7.8 368/369=31, 6144/6145=29...(11) HE3 LYS 13 + H LYS 12 OK 36 100 45 80 6.7-7.8 7.3/6163=44, 3.8/6154=39...(6) HE2 LYS 13 - H LYS 12 far 10 100 10 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 6160 from nnoeabs.peaks (8.07, 8.56, 125.74 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 13 + H LYS 12 OK 100 100 100 100 2.8-2.9 6163=100, 8390/3.6=36...(20) H ILE 15 + H LYS 12 OK 87 100 100 87 4.8-5.2 6206/2.9=55...(10) H GLU 17 - H LYS 12 far 0 98 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 6161 from nnoeabs.peaks (7.55, 8.56, 125.74 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + H LYS 12 OK 100 100 100 100 4.7-4.9 6185=100, 6182/6163=98...(17) Violated in 0 structures by 0.00 A. Peak 6162 from nnoeabs.peaks (8.07, 8.07, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 13 + H LYS 13 OK 100 100 - 100 Peak 6163 from nnoeabs.peaks (8.56, 8.07, 119.60 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.97: * H LYS 12 + H LYS 13 OK 97 100 100 97 2.8-2.9 6160=43, 3.6/8390=31...(19) Violated in 0 structures by 0.00 A. Peak 6164 from nnoeabs.peaks (3.85, 8.07, 119.60 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 12 + H LYS 13 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6165 from nnoeabs.peaks (1.86, 8.07, 119.60 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.98: HB3 LYS 12 + H LYS 13 OK 87 100 100 87 2.7-3.4 4.2=37, 4.0/6163=30...(15) * HB2 LYS 12 + H LYS 13 OK 86 100 100 86 3.8-4.3 4.2=37, 4.0/6163=30...(12) HB3 LEU 14 - H LYS 13 far 0 61 0 - 4.7-4.8 HB2 ARG 19 - H LYS 13 far 0 81 0 - 9.3-11.7 Violated in 3 structures by 0.03 A. Peak 6166 from nnoeabs.peaks (1.87, 8.07, 119.60 ppm; 3.02 A): 2 out of 4 assignments used, quality = 0.98: * HB3 LYS 12 + H LYS 13 OK 87 100 100 87 2.7-3.4 4.2=37, 4.0/6163=30...(15) HB2 LYS 12 + H LYS 13 OK 86 100 100 86 3.8-4.3 4.2=37, 4.0/6163=30...(12) HB3 LEU 14 - H LYS 13 far 0 65 0 - 4.7-4.8 HB2 ARG 19 - H LYS 13 far 0 84 0 - 9.3-11.7 Violated in 3 structures by 0.03 A. Peak 6167 from nnoeabs.peaks (1.45, 8.07, 119.60 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 12 + H LYS 13 OK 98 100 100 98 2.6-4.3 384/3.6=59, 1.8/6168=44...(14) HG2 LYS 13 + H LYS 13 OK 96 96 100 100 1.9-2.2 1.8/528=62, 518/2.9=55...(30) HG12 ILE 7 - H LYS 13 far 0 91 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 6168 from nnoeabs.peaks (1.59, 8.07, 119.60 ppm; 5.07 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 12 + H LYS 13 OK 100 100 100 100 3.1-4.6 6155/6163=83, 436=56...(13) HG2 ARG 19 - H LYS 13 far 0 99 0 - 8.9-12.1 HG3 LYS 90 - H LYS 13 far 0 99 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 6169 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 3 out of 11 assignments used, quality = 1.00: HD3 LYS 13 + H LYS 13 OK 100 100 100 100 3.0-4.5 3.0/6177=66, 3.6/6175=35...(35) HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.6-4.3 3.0/6177=66, 487/2.9=35...(35) HB ILE 15 + H LYS 13 OK 66 79 100 83 4.8-5.2 644/3.6=42, 3.2/8383=40...(7) ! HD2 LYS 12 - H LYS 13 far 15 100 15 - 4.4-5.8 HD3 LYS 12 - H LYS 13 far 15 100 15 - 4.7-6.4 HG12 ILE 15 - H LYS 13 far 0 100 0 - 6.1-6.7 HG2 PRO 86 - H LYS 13 far 0 99 0 - 6.8-7.8 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.8-10.9 HD2 LYS 90 - H LYS 13 far 0 59 0 - 8.8-12.8 HD3 LYS 20 - H LYS 13 far 0 84 0 - 8.8-12.1 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 6170 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 3 out of 11 assignments used, quality = 1.00: HD3 LYS 13 + H LYS 13 OK 100 100 100 100 3.0-4.5 3.0/6177=66, 3.6/6175=35...(35) HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.6-4.3 3.0/6177=66, 487/2.9=35...(35) HB ILE 15 + H LYS 13 OK 66 79 100 83 4.8-5.2 644/3.6=42, 3.2/8383=40...(7) HD2 LYS 12 - H LYS 13 far 15 100 15 - 4.4-5.8 ! HD3 LYS 12 - H LYS 13 far 15 100 15 - 4.7-6.4 HG12 ILE 15 - H LYS 13 far 0 100 0 - 6.1-6.7 HG2 PRO 86 - H LYS 13 far 0 99 0 - 6.8-7.8 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.8-10.9 HD2 LYS 90 - H LYS 13 far 0 59 0 - 8.8-12.8 HD3 LYS 20 - H LYS 13 far 0 84 0 - 8.8-12.1 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 6171 from nnoeabs.peaks (3.01, 8.07, 119.60 ppm; 5.47 A): 2 out of 3 assignments used, quality = 0.99: HB3 ASP 11 + H LYS 13 OK 98 98 100 100 3.3-4.0 3.0/8390=82, 4.5/6163=80...(17) * HE2 LYS 12 + H LYS 13 OK 70 100 70 99 5.5-7.6 460/3.6=72, 464/6168=69...(11) HB2 SER 9 - H LYS 13 far 14 96 15 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 6172 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.33 A): 4 out of 7 assignments used, quality = 1.00: HE2 LYS 13 + H LYS 13 OK 100 100 100 100 4.8-6.0 3.8/6177=83, 3.8/6176=42...(25) HE3 LYS 13 + H LYS 13 OK 100 100 100 100 4.6-5.2 3.8/6177=83, 3.8/6176=42...(24) HB3 ASP 11 + H LYS 13 OK 79 79 100 100 3.3-4.0 3.0/8390=79, 4.5/6163=77...(17) * HE3 LYS 12 + H LYS 13 OK 74 100 75 99 6.0-7.1 4.0/6168=63...(11) HB2 SER 9 - H LYS 13 far 4 84 5 - 6.7-8.8 HB2 ASN 10 - H LYS 13 far 0 63 0 - 7.3-8.3 HE3 LYS 90 - H LYS 13 far 0 79 0 - 8.2-13.3 Violated in 0 structures by 0.00 A. Peak 6173 from nnoeabs.peaks (4.15, 8.07, 119.60 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 13 + H LYS 13 OK 100 100 100 100 2.8-2.8 2.9=100 HB2 SER 59 - H LYS 13 far 0 100 0 - 9.4-11.3 HB3 SER 85 - H LYS 13 far 0 65 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 6174 from nnoeabs.peaks (1.92, 8.07, 119.60 ppm; 2.82 A): 2 out of 6 assignments used, quality = 1.00: HB3 LYS 13 + H LYS 13 OK 95 100 100 95 2.5-2.8 506=41, 3.0/6177=32...(22) * HB2 LYS 13 + H LYS 13 OK 94 100 100 94 3.6-3.6 495=41, 3.0/6177=32...(21) HB3 LEU 14 - H LYS 13 far 0 97 0 - 4.7-4.8 HB2 GLU 17 - H LYS 13 far 0 85 0 - 6.7-9.3 HB2 ARG 19 - H LYS 13 far 0 87 0 - 9.3-11.7 HB3 ARG 19 - H LYS 13 far 0 98 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 6175 from nnoeabs.peaks (1.91, 8.07, 119.60 ppm; 2.82 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LYS 13 + H LYS 13 OK 95 100 100 95 2.5-2.8 506=41, 3.0/6177=32...(22) HB2 LYS 13 + H LYS 13 OK 94 100 100 95 3.6-3.6 495=41, 3.0/6177=32...(21) HB3 LEU 14 - H LYS 13 far 0 98 0 - 4.7-4.8 HB2 GLU 17 - H LYS 13 far 0 82 0 - 6.7-9.3 HB2 ARG 19 - H LYS 13 far 0 90 0 - 9.3-11.7 HB3 ARG 19 - H LYS 13 far 0 96 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 6176 from nnoeabs.peaks (1.43, 8.07, 119.60 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 13 + H LYS 13 OK 100 100 100 100 1.9-2.2 1.8/528=62, 518/2.9=58...(29) HG2 LYS 12 + H LYS 13 OK 94 96 100 98 2.6-4.3 384/3.6=56, 1.8/6168=44...(14) HG12 ILE 7 - H LYS 13 far 0 100 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 6177 from nnoeabs.peaks (1.50, 8.07, 119.60 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 13 + H LYS 13 OK 100 100 100 100 2.8-3.7 528=65, 486/2.9=63...(23) HB2 LEU 14 - H LYS 13 far 0 85 0 - 5.7-6.0 Violated in 0 structures by 0.00 A. Peak 6178 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 3 out of 11 assignments used, quality = 1.00: HD3 LYS 13 + H LYS 13 OK 100 100 100 100 3.0-4.5 3.0/6177=66, 3.6/6175=35...(35) * HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.6-4.3 3.0/6177=66, 487/2.9=35...(35) HB ILE 15 + H LYS 13 OK 66 79 100 83 4.8-5.2 644/3.6=42, 3.2/8383=40...(7) HD2 LYS 12 - H LYS 13 far 15 100 15 - 4.4-5.8 HD3 LYS 12 - H LYS 13 far 15 100 15 - 4.7-6.4 HG12 ILE 15 - H LYS 13 far 0 100 0 - 6.1-6.7 HG2 PRO 86 - H LYS 13 far 0 99 0 - 6.8-7.8 HD2 LYS 20 - H LYS 13 far 0 88 0 - 8.8-10.9 HD2 LYS 90 - H LYS 13 far 0 59 0 - 8.8-12.8 HD3 LYS 20 - H LYS 13 far 0 84 0 - 8.8-12.1 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 6179 from nnoeabs.peaks (1.70, 8.07, 119.60 ppm; 4.02 A): 3 out of 11 assignments used, quality = 1.00: * HD3 LYS 13 + H LYS 13 OK 100 100 100 100 3.0-4.5 3.0/6177=66, 3.6/6175=35...(35) HD2 LYS 13 + H LYS 13 OK 100 100 100 100 2.6-4.3 3.0/6177=66, 488/2.9=35...(35) HB ILE 15 + H LYS 13 OK 70 82 100 84 4.8-5.2 644/3.6=44, 3.2/8383=40...(7) HD2 LYS 12 - H LYS 13 far 15 100 15 - 4.4-5.8 HD3 LYS 12 - H LYS 13 far 15 100 15 - 4.7-6.4 HG12 ILE 15 - H LYS 13 far 0 99 0 - 6.1-6.7 HG2 PRO 86 - H LYS 13 far 0 99 0 - 6.8-7.8 HD2 LYS 20 - H LYS 13 far 0 85 0 - 8.8-10.9 HD2 LYS 90 - H LYS 13 far 0 63 0 - 8.8-12.8 HD3 LYS 20 - H LYS 13 far 0 81 0 - 8.8-12.1 HD3 LYS 90 - H LYS 13 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 6180 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.33 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 13 + H LYS 13 OK 100 100 100 100 4.8-6.0 3.8/6177=83, 3.8/6176=42...(25) HE3 LYS 13 + H LYS 13 OK 100 100 100 100 4.6-5.2 3.8/6177=83, 3.8/6176=42...(24) HE3 LYS 12 + H LYS 13 OK 74 100 75 99 6.0-7.1 4.0/6168=63...(11) HB3 ASP 11 + H LYS 13 OK 69 70 100 100 3.3-4.0 3.0/8390=79, 4.5/6163=77...(17) HB2 SER 9 - H LYS 13 far 4 75 5 - 6.7-8.8 HB2 ASN 10 - H LYS 13 far 0 73 0 - 7.3-8.3 HE3 LYS 90 - H LYS 13 far 0 87 0 - 8.2-13.3 Violated in 0 structures by 0.00 A. Peak 6181 from nnoeabs.peaks (2.96, 8.07, 119.60 ppm; 5.33 A): 4 out of 7 assignments used, quality = 1.00: HE2 LYS 13 + H LYS 13 OK 100 100 100 100 4.8-6.0 3.8/6177=83, 3.8/6176=42...(25) * HE3 LYS 13 + H LYS 13 OK 100 100 100 100 4.6-5.2 3.8/6177=83, 3.8/6176=42...(24) HE3 LYS 12 + H LYS 13 OK 74 100 75 99 6.0-7.1 4.0/6168=63...(11) HB3 ASP 11 + H LYS 13 OK 65 65 100 100 3.3-4.0 3.0/8390=79, 4.5/6163=77...(17) HB2 SER 9 - H LYS 13 far 4 71 5 - 6.7-8.8 HB2 ASN 10 - H LYS 13 far 0 77 0 - 7.3-8.3 HE3 LYS 90 - H LYS 13 far 0 90 0 - 8.2-13.3 Violated in 0 structures by 0.00 A. Peak 6182 from nnoeabs.peaks (7.55, 8.07, 119.60 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.95: * H LEU 14 + H LYS 13 OK 95 100 100 95 2.8-2.9 6187=50, 3.0/8389=20...(21) Violated in 0 structures by 0.00 A. Peak 6183 from nnoeabs.peaks (8.07, 8.07, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H LYS 13 + H LYS 13 OK 100 100 - 100 Reference assignment not found: H ILE 15 - H LYS 13 Peak 6184 from nnoeabs.peaks (7.55, 7.55, 122.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + H LEU 14 OK 100 100 - 100 Peak 6185 from nnoeabs.peaks (8.56, 7.55, 122.27 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 12 + H LEU 14 OK 100 100 100 100 4.7-4.9 6163/6182=95, 6161=84...(17) Violated in 0 structures by 0.00 A. Peak 6186 from nnoeabs.peaks (3.85, 7.55, 122.27 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 12 + H LEU 14 OK 100 100 100 100 4.4-4.7 3.6/6182=94...(15) Violated in 0 structures by 0.00 A. Peak 6187 from nnoeabs.peaks (8.07, 7.55, 122.27 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 13 + H LEU 14 OK 98 100 100 98 2.8-2.9 6182=83, 8389/3.0=17...(21) H ILE 15 + H LEU 14 OK 97 100 100 97 2.6-2.8 6209=67, 6211/594=28...(24) H GLU 17 - H LEU 14 far 0 98 0 - 4.8-5.1 H LYS 90 - H LEU 14 far 0 79 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 6188 from nnoeabs.peaks (4.15, 7.55, 122.27 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 13 + H LEU 14 OK 100 100 100 100 3.6-3.6 3.6=100 HB3 SER 85 - H LEU 14 far 0 65 0 - 7.4-8.1 HB2 SER 59 - H LEU 14 far 0 100 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 6189 from nnoeabs.peaks (1.92, 7.55, 122.27 ppm; 3.04 A): 3 out of 7 assignments used, quality = 1.00: HB3 LEU 14 + H LEU 14 OK 96 97 100 99 2.1-2.2 602=55, 1.8/594=53...(31) HB3 LYS 13 + H LEU 14 OK 93 100 100 93 3.8-3.9 516=33, 4.0/6182=32...(19) * HB2 LYS 13 + H LEU 14 OK 93 100 100 93 3.2-3.5 505=33, 4.0/6182=32...(18) HB2 GLU 17 - H LEU 14 far 0 85 0 - 4.8-7.4 HB2 ARG 19 - H LEU 14 far 0 87 0 - 8.5-11.0 HB3 ARG 19 - H LEU 14 far 0 98 0 - 8.7-10.8 HG3 GLU 88 - H LEU 14 far 0 82 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 6190 from nnoeabs.peaks (1.91, 7.55, 122.27 ppm; 3.04 A): 3 out of 7 assignments used, quality = 1.00: HB3 LEU 14 + H LEU 14 OK 97 98 100 99 2.1-2.2 602=56, 1.8/594=53...(31) * HB3 LYS 13 + H LEU 14 OK 93 100 100 93 3.8-3.9 516=33, 4.0/6182=32...(19) HB2 LYS 13 + H LEU 14 OK 93 100 100 93 3.2-3.5 505=33, 4.0/6182=32...(18) HB2 GLU 17 - H LEU 14 far 0 82 0 - 4.8-7.4 HB2 ARG 19 - H LEU 14 far 0 90 0 - 8.5-11.0 HB3 ARG 19 - H LEU 14 far 0 96 0 - 8.7-10.8 HG3 GLU 88 - H LEU 14 far 0 79 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 6191 from nnoeabs.peaks (1.43, 7.55, 122.27 ppm; 4.72 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 13 + H LEU 14 OK 100 100 100 100 1.8-1.9 518/3.6=71, 4.8/6182=62...(29) HG2 LYS 12 - H LEU 14 far 10 96 10 - 5.0-6.8 HG12 ILE 7 - H LEU 14 far 0 100 0 - 6.4-8.1 HG2 LYS 20 - H LEU 14 far 0 82 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 6192 from nnoeabs.peaks (1.50, 7.55, 122.27 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + H LEU 14 OK 99 100 100 99 2.4-3.5 6177/6182=53, 486/3.6=51...(24) HB2 LEU 14 + H LEU 14 OK 85 85 100 100 2.9-3.1 3.8=85, 1.8/602=73...(26) HB ILE 7 - H LEU 14 far 0 85 0 - 8.7-8.9 HG LEU 57 - H LEU 14 far 0 100 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 6193 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 3.97 A): 5 out of 12 assignments used, quality = 1.00: * HD2 LYS 13 + H LEU 14 OK 98 100 100 98 2.1-4.4 3.0/6191=47, 3.0/6192=35...(25) HD3 LYS 13 + H LEU 14 OK 98 100 100 98 2.2-4.2 3.0/6191=47, 3.0/6192=35...(25) HG12 ILE 15 + H LEU 14 OK 94 100 100 95 4.9-5.4 4.6/6209=45, 2.1/8437=33...(18) HG2 PRO 86 + H LEU 14 OK 89 99 95 94 4.9-5.6 9887/3.0=45...(19) HB ILE 15 + H LEU 14 OK 76 79 100 96 4.6-4.9 4.0/6209=55, 4.5/6204=40...(16) HD2 LYS 12 - H LEU 14 far 0 100 0 - 5.8-7.6 HD2 LYS 90 - H LEU 14 far 0 59 0 - 6.2-10.4 HD3 LYS 12 - H LEU 14 far 0 100 0 - 6.4-8.5 HD3 LYS 90 - H LEU 14 far 0 100 0 - 7.2-10.6 HD2 LYS 20 - H LEU 14 far 0 88 0 - 8.2-10.2 HD3 LYS 20 - H LEU 14 far 0 84 0 - 8.2-11.0 HG3 LYS 20 - H LEU 14 far 0 84 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 6194 from nnoeabs.peaks (1.70, 7.55, 122.27 ppm; 3.97 A): 5 out of 12 assignments used, quality = 1.00: HD2 LYS 13 + H LEU 14 OK 98 100 100 98 2.1-4.4 3.0/6191=47, 3.0/6192=35...(25) * HD3 LYS 13 + H LEU 14 OK 98 100 100 98 2.2-4.2 3.0/6191=47, 3.0/6192=35...(25) HG12 ILE 15 + H LEU 14 OK 94 99 100 95 4.9-5.4 4.6/6209=45, 2.1/8437=33...(18) HG2 PRO 86 + H LEU 14 OK 88 99 95 94 4.9-5.6 9887/3.0=45...(19) HB ILE 15 + H LEU 14 OK 79 82 100 96 4.6-4.9 4.0/6209=55, 4.5/6204=40...(16) HD2 LYS 12 - H LEU 14 far 0 100 0 - 5.8-7.6 HD2 LYS 90 - H LEU 14 far 0 63 0 - 6.2-10.4 HD3 LYS 12 - H LEU 14 far 0 100 0 - 6.4-8.5 HD3 LYS 90 - H LEU 14 far 0 100 0 - 7.2-10.6 HD2 LYS 20 - H LEU 14 far 0 85 0 - 8.2-10.2 HD3 LYS 20 - H LEU 14 far 0 81 0 - 8.2-11.0 HG3 LYS 20 - H LEU 14 far 0 81 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 6195 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: * HE2 LYS 13 + H LEU 14 OK 96 100 100 96 4.4-4.9 3.8/6191=51, 3.8/6192=35...(19) HE3 LYS 13 + H LEU 14 OK 96 100 100 96 4.1-5.5 3.8/6191=51, 3.8/6192=35...(18) HB3 ASP 11 + H LEU 14 OK 69 70 100 99 2.3-2.6 1.8/8377=55, 3.0/8419=41...(21) HB2 SER 9 + H LEU 14 OK 49 75 75 86 5.2-7.3 8414/626=25...(18) HE3 LYS 90 - H LEU 14 far 4 87 5 - 5.9-11.2 HE3 LYS 12 - H LEU 14 far 0 100 0 - 8.1-9.5 HB2 ASN 10 - H LEU 14 far 0 73 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 6196 from nnoeabs.peaks (2.96, 7.55, 122.27 ppm; 4.47 A): 4 out of 7 assignments used, quality = 1.00: HE2 LYS 13 + H LEU 14 OK 96 100 100 96 4.4-4.9 3.8/6191=51, 3.8/6192=35...(19) * HE3 LYS 13 + H LEU 14 OK 96 100 100 96 4.1-5.5 3.8/6191=51, 3.8/6192=35...(18) HB3 ASP 11 + H LEU 14 OK 65 65 100 99 2.3-2.6 1.8/8377=55, 3.0/8419=41...(20) HB2 SER 9 + H LEU 14 OK 45 71 75 84 5.2-7.3 8414/626=24...(17) HE3 LYS 90 - H LEU 14 far 4 90 5 - 5.9-11.2 HE3 LYS 12 - H LEU 14 far 0 100 0 - 8.1-9.5 HB2 ASN 10 - H LEU 14 far 0 77 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 6197 from nnoeabs.peaks (3.68, 7.55, 122.27 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 14 + H LEU 14 OK 100 100 100 100 2.8-2.8 3.0=100 HA LYS 90 - H LEU 14 far 0 98 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 6198 from nnoeabs.peaks (1.52, 7.55, 122.27 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 14 + H LEU 14 OK 100 100 100 100 2.9-3.1 594=79, 1.8/602=61...(26) HG3 LYS 13 + H LEU 14 OK 81 85 100 95 2.4-3.5 486/3.6=36, 1.8/6191=34...(24) HB ILE 7 - H LEU 14 far 0 100 0 - 8.7-8.9 HG LEU 57 - H LEU 14 far 0 91 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 6199 from nnoeabs.peaks (1.90, 7.55, 122.27 ppm; 2.99 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LEU 14 + H LEU 14 OK 98 100 100 98 2.1-2.2 602=55, 1.8/594=51...(31) HB3 LYS 13 + H LEU 14 OK 91 98 100 92 3.8-3.9 516=31, 4.0/6182=31...(19) HB2 LYS 13 + H LEU 14 OK 89 97 100 92 3.2-3.5 4.0/6182=31, 516=31...(18) HB2 GLU 17 - H LEU 14 far 0 59 0 - 4.8-7.4 HB3 LYS 12 - H LEU 14 far 0 65 0 - 5.3-5.9 HB2 LYS 12 - H LEU 14 far 0 61 0 - 5.9-6.5 HB2 ARG 19 - H LEU 14 far 0 99 0 - 8.5-11.0 HB3 ARG 19 - H LEU 14 far 0 82 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 6200 from nnoeabs.peaks (1.35, 7.55, 122.27 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 14 + H LEU 14 OK 100 100 100 100 4.2-4.5 610=78, 2.1/626=74...(23) QB ALA 89 - H LEU 14 poor 20 99 20 - 5.5-6.5 Violated in 20 structures by 0.17 A. Peak 6201 from nnoeabs.peaks (0.68, 7.55, 122.27 ppm; 4.04 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 14 + H LEU 14 OK 100 100 100 100 4.3-4.4 2.1/626=69, 2.1/6200=67...(31) QD2 LEU 14 + H LEU 14 OK 75 75 100 100 3.3-3.7 2.1/6200=67, 3.1/594=66...(36) QD2 LEU 29 - H LEU 14 far 0 68 0 - 7.4-9.3 QD1 LEU 29 - H LEU 14 far 0 87 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 6202 from nnoeabs.peaks (0.71, 7.55, 122.27 ppm; 3.85 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 14 + H LEU 14 OK 100 100 100 100 3.3-3.7 626=81, 2.1/6200=61...(35) QD1 LEU 14 + H LEU 14 OK 75 75 100 100 4.3-4.4 2.1/626=63, 2.1/6200=61...(31) Violated in 0 structures by 0.00 A. Peak 6203 from nnoeabs.peaks (8.07, 7.55, 122.27 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: H LYS 13 + H LEU 14 OK 98 100 100 98 2.8-2.9 6182=83, 8389/3.0=17...(21) * H ILE 15 + H LEU 14 OK 97 100 100 97 2.6-2.8 6209=67, 6211/594=28...(24) H GLU 17 - H LEU 14 far 0 99 0 - 4.8-5.1 H LYS 90 - H LEU 14 far 0 81 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 6204 from nnoeabs.peaks (8.02, 7.55, 122.27 ppm; 4.07 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 16 + H LEU 14 OK 99 100 100 99 4.0-4.3 6227=71, 492/3.6=58...(20) H LYS 90 - H LEU 14 far 0 77 0 - 7.6-8.9 Violated in 18 structures by 0.10 A. Peak 6205 from nnoeabs.peaks (8.07, 8.07, 118.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ILE 15 + H ILE 15 OK 100 100 - 100 H GLU 17 + H GLU 17 OK 90 90 - 100 Peak 6206 from nnoeabs.peaks (3.85, 8.07, 118.21 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.98: * HA LYS 12 + H ILE 15 OK 98 100 100 98 3.4-3.6 391=50, 644/4.0=48...(13) HA LYS 12 - H GLU 17 far 0 93 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 6207 from nnoeabs.peaks (8.07, 8.07, 118.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H ILE 15 + H ILE 15 OK 100 100 - 100 H GLU 17 + H GLU 17 OK 89 89 - 100 Reference assignment not found: H LYS 13 - H ILE 15 Peak 6208 from nnoeabs.peaks (4.15, 8.07, 118.21 ppm; 4.10 A): 2 out of 5 assignments used, quality = 0.99: * HA LYS 13 + H ILE 15 OK 96 100 100 96 4.7-4.9 3.6/6209=64, 492/4.6=44...(14) HA LYS 13 + H GLU 17 OK 86 93 100 92 3.7-4.7 493/702=60, 492/4.6=44...(10) HB2 SER 59 - H ILE 15 far 0 100 0 - 7.7-9.9 HB3 SER 85 - H GLU 17 far 0 56 0 - 9.0-11.0 HB3 SER 85 - H ILE 15 far 0 65 0 - 9.2-9.8 Violated in 4 structures by 0.01 A. Peak 6209 from nnoeabs.peaks (7.55, 8.07, 118.21 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.98: * H LEU 14 + H ILE 15 OK 98 100 100 98 2.6-2.8 6203=50, 594/6211=38...(25) H LEU 14 - H GLU 17 far 14 93 15 - 4.8-5.1 H GLU 88 - H GLU 17 far 0 83 0 - 9.4-10.8 H GLU 88 - H ILE 15 far 0 93 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 6210 from nnoeabs.peaks (3.68, 8.07, 118.21 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 14 + H ILE 15 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 14 + H GLU 17 OK 85 93 100 91 3.4-3.8 593/6256=36...(17) HA LYS 90 - H GLU 17 far 0 89 0 - 6.6-8.3 HA LYS 90 - H ILE 15 far 0 98 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 6211 from nnoeabs.peaks (1.52, 8.07, 118.21 ppm; 3.78 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LEU 14 + H ILE 15 OK 100 100 100 100 3.9-4.1 601=83, 1.8/6212=59...(23) HG3 LYS 13 - H ILE 15 far 9 85 10 - 5.1-5.9 HB2 LEU 14 - H GLU 17 far 0 93 0 - 5.5-6.0 HG3 LYS 13 - H GLU 17 far 0 75 0 - 6.0-7.7 HB ILE 7 - H ILE 15 far 0 100 0 - 6.1-6.5 HB ILE 7 - H GLU 17 far 0 93 0 - 8.0-8.6 HG LEU 57 - H ILE 15 far 0 91 0 - 8.2-9.8 HG LEU 57 - H GLU 17 far 0 81 0 - 9.1-10.9 Violated in 20 structures by 0.23 A. Peak 6212 from nnoeabs.peaks (1.90, 8.07, 118.21 ppm; 3.24 A): 2 out of 19 assignments used, quality = 0.99: * HB3 LEU 14 + H ILE 15 OK 98 100 100 98 2.6-2.8 1.8/6211=55, 4.4=41...(27) HB2 GLU 17 + H GLU 17 OK 48 51 100 95 2.5-3.6 4.0=52, 3.0/6257=38...(14) HB2 ARG 19 - H GLU 17 far 0 91 0 - 4.9-7.2 HB2 LYS 13 - H GLU 17 far 0 88 0 - 4.9-5.5 HB3 ARG 19 - H GLU 17 far 0 72 0 - 5.1-7.0 HB2 GLU 17 - H ILE 15 far 0 59 0 - 5.2-7.5 HB2 LYS 12 - H ILE 15 far 0 61 0 - 5.3-5.8 HB2 LYS 13 - H ILE 15 far 0 97 0 - 5.5-5.8 HB3 LYS 12 - H ILE 15 far 0 65 0 - 5.6-6.0 HB3 LEU 14 - H GLU 17 far 0 93 0 - 5.7-6.0 HB3 LYS 13 - H GLU 17 far 0 89 0 - 5.8-6.6 HB3 LYS 13 - H ILE 15 far 0 98 0 - 5.9-6.1 HB2 LYS 20 - H GLU 17 far 0 89 0 - 6.0-6.9 HB3 LYS 20 - H GLU 17 far 0 63 0 - 6.2-7.4 HB2 LYS 12 - H GLU 17 far 0 52 0 - 6.4-8.1 HB2 ARG 19 - H ILE 15 far 0 99 0 - 6.5-8.9 HB3 ARG 19 - H ILE 15 far 0 82 0 - 6.7-8.9 HB3 LYS 12 - H GLU 17 far 0 56 0 - 6.9-8.6 HB ILE 8 - H ILE 15 far 0 100 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 6213 from nnoeabs.peaks (1.35, 8.07, 118.21 ppm; 4.34 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 14 + H ILE 15 OK 100 100 100 100 3.0-4.0 3.0/6211=72, 611/3.6=65...(22) QB ALA 89 + H ILE 15 OK 87 99 100 88 4.9-5.8 598/6211=26, 606/4.4=25...(12) HG LEU 14 + H GLU 17 OK 75 93 100 80 4.9-5.8 611/6210=28, 617=25...(13) QB ALA 89 + H GLU 17 OK 24 90 40 65 5.3-6.2 9940/6259=41...(9) HG12 ILE 8 - H ILE 15 far 0 98 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 6214 from nnoeabs.peaks (0.68, 8.07, 118.21 ppm; 3.95 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 14 + H ILE 15 OK 100 100 100 100 4.3-4.5 3.1/6211=60, 4.9=51...(25) QD2 LEU 14 + H ILE 15 OK 75 75 100 100 2.1-2.9 3.1/6211=60, 4.9=51...(29) QD2 LEU 14 + H GLU 17 OK 21 65 45 71 5.2-6.0 4.0/6210=22, 2.1/617=17...(16) QD1 LEU 14 - H GLU 17 far 5 93 5 - 5.3-6.6 QD2 LEU 29 - H ILE 15 far 0 68 0 - 5.5-7.4 QD2 LEU 29 - H GLU 17 far 0 58 0 - 5.6-7.7 QD1 LEU 29 - H ILE 15 far 0 87 0 - 6.1-7.4 QD1 LEU 29 - H GLU 17 far 0 76 0 - 6.1-8.0 QD1 ILE 8 - H ILE 15 far 0 73 0 - 8.8-10.3 QG2 VAL 58 - H ILE 15 far 0 100 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6215 from nnoeabs.peaks (0.71, 8.07, 118.21 ppm; 3.58 A): 2 out of 10 assignments used, quality = 1.00: * QD2 LEU 14 + H ILE 15 OK 100 100 100 100 2.1-2.9 3.1/6211=50, 633=47...(31) QD1 LEU 14 + H ILE 15 OK 75 75 100 99 4.3-4.5 3.1/6211=50, 3.1/6212=39...(24) QD2 LEU 14 - H GLU 17 far 0 93 0 - 5.2-6.0 QD1 LEU 14 - H GLU 17 far 0 65 0 - 5.3-6.6 QG1 VAL 5 - H ILE 15 far 0 94 0 - 8.4-8.9 QG1 VAL 5 - H GLU 17 far 0 84 0 - 8.5-9.4 QD1 ILE 8 - H ILE 15 far 0 100 0 - 8.8-10.3 QG1 VAL 58 - H ILE 15 far 0 98 0 - 9.1-10.1 HG13 ILE 93 - H GLU 17 far 0 58 0 - 9.4-11.0 QG2 VAL 58 - H ILE 15 far 0 71 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6216 from nnoeabs.peaks (3.26, 8.07, 118.21 ppm; 3.43 A): 2 out of 2 assignments used, quality = 1.00: * HA ILE 15 + H ILE 15 OK 100 100 100 100 2.7-2.8 3.0=100 HA ILE 15 + H GLU 17 OK 21 93 25 90 4.7-5.2 634=38, 6263/6259=32...(12) Violated in 0 structures by 0.00 A. Peak 6217 from nnoeabs.peaks (1.73, 8.07, 118.21 ppm; 2.90 A): 2 out of 22 assignments used, quality = 0.98: * HB ILE 15 + H ILE 15 OK 95 100 100 95 2.3-2.6 645=40, 2.9/669=32...(21) HG12 ILE 15 + H ILE 15 OK 62 65 100 94 2.5-2.9 1.8/669=40, 2.1/6220=28...(24) HD2 LYS 13 - H ILE 15 far 0 79 0 - 4.6-6.7 HD3 LYS 13 - H ILE 15 far 0 82 0 - 4.7-6.7 HD3 LYS 90 - H GLU 17 far 0 62 0 - 4.9-8.6 HD2 LYS 90 - H GLU 17 far 0 91 0 - 5.0-7.9 HD2 LYS 12 - H ILE 15 far 0 79 0 - 5.0-6.5 HB ILE 15 - H GLU 17 far 0 93 0 - 5.2-5.5 HD2 LYS 13 - H GLU 17 far 0 69 0 - 5.4-8.3 HD3 LYS 13 - H GLU 17 far 0 72 0 - 5.5-8.5 HG2 PRO 86 - H GLU 17 far 0 54 0 - 5.5-7.3 HG3 ARG 19 - H GLU 17 far 0 65 0 - 5.8-8.1 HD2 LYS 12 - H GLU 17 far 0 69 0 - 6.1-8.8 HD3 LYS 12 - H ILE 15 far 0 79 0 - 6.1-7.8 HG3 ARG 19 - H ILE 15 far 0 75 0 - 6.1-9.4 HD3 LYS 12 - H GLU 17 far 0 69 0 - 6.3-10.4 HG12 ILE 15 - H GLU 17 far 0 56 0 - 6.5-6.8 HD2 LYS 90 - H ILE 15 far 0 99 0 - 6.6-10.8 HG2 PRO 86 - H ILE 15 far 0 63 0 - 7.1-7.7 HD3 LYS 90 - H ILE 15 far 0 71 0 - 7.5-11.1 HD2 LYS 33 - H ILE 15 far 0 100 0 - 9.7-11.4 HD3 LYS 33 - H ILE 15 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6218 from nnoeabs.peaks (0.81, 8.07, 118.21 ppm; 3.27 A): 2 out of 11 assignments used, quality = 1.00: * QG2 ILE 15 + H ILE 15 OK 99 100 100 99 3.7-3.8 4.0=55, 2.1/6217=44...(22) QG2 ILE 7 + H ILE 15 OK 85 99 100 86 4.1-4.4 637/3.0=27, 672/669=20...(19) QG2 ILE 15 - H GLU 17 far 0 93 0 - 4.8-5.3 QG2 ILE 7 - H GLU 17 far 0 90 0 - 6.4-7.1 QD2 LEU 57 - H ILE 15 far 0 97 0 - 7.9-9.3 QD1 LEU 57 - H ILE 15 far 0 94 0 - 8.1-9.9 QG2 ILE 8 - H ILE 15 far 0 88 0 - 8.5-9.0 QD2 LEU 57 - H GLU 17 far 0 88 0 - 9.0-10.6 QG2 VAL 32 - H ILE 15 far 0 90 0 - 9.1-9.8 QD1 LEU 57 - H GLU 17 far 0 84 0 - 9.2-11.1 QD1 LEU 6 - H ILE 15 far 0 59 0 - 9.9-11.7 Violated in 20 structures by 0.24 A. Peak 6219 from nnoeabs.peaks (1.69, 8.07, 118.21 ppm; 3.01 A): 3 out of 24 assignments used, quality = 0.99: * HG12 ILE 15 + H ILE 15 OK 97 100 100 97 2.5-2.9 1.8/669=44, 2.1/6220=30...(24) HB ILE 15 + H ILE 15 OK 62 65 100 95 2.3-2.6 4.0=44, 2.9/669=35...(21) HD2 LYS 20 + H GLU 17 OK 46 86 85 63 3.4-5.4 661=13, 12146/702=9...(25) HD3 LYS 20 - H GLU 17 poor 16 83 35 56 3.4-6.1 1.8/661=11, 2.8/425=7...(22) HG3 LYS 20 - H GLU 17 far 8 83 10 - 4.0-6.3 HD2 LYS 13 - H ILE 15 far 0 100 0 - 4.6-6.7 HD3 LYS 13 - H ILE 15 far 0 99 0 - 4.7-6.7 HD3 LYS 90 - H GLU 17 far 0 93 0 - 4.9-8.6 HD2 LYS 12 - H ILE 15 far 0 100 0 - 5.0-6.5 HB ILE 15 - H GLU 17 far 0 56 0 - 5.2-5.5 HD2 LYS 13 - H GLU 17 far 0 92 0 - 5.4-8.3 HD3 LYS 13 - H GLU 17 far 0 91 0 - 5.5-8.5 HG2 PRO 86 - H GLU 17 far 0 93 0 - 5.5-7.3 HD2 LYS 12 - H GLU 17 far 0 92 0 - 6.1-8.8 HD3 LYS 12 - H ILE 15 far 0 100 0 - 6.1-7.8 HD3 LYS 12 - H GLU 17 far 0 92 0 - 6.3-10.4 HG12 ILE 15 - H GLU 17 far 0 93 0 - 6.5-6.8 HG2 PRO 86 - H ILE 15 far 0 100 0 - 7.1-7.7 HD3 LYS 90 - H ILE 15 far 0 100 0 - 7.5-11.1 HD2 LYS 20 - H ILE 15 far 0 96 0 - 7.6-9.8 HD3 LYS 20 - H ILE 15 far 0 93 0 - 7.7-10.6 HG3 LYS 20 - H ILE 15 far 0 93 0 - 8.2-10.1 HD2 LYS 33 - H ILE 15 far 0 75 0 - 9.7-11.4 HD3 LYS 33 - H ILE 15 far 0 75 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 6220 from nnoeabs.peaks (0.75, 8.07, 118.21 ppm; 3.07 A): 2 out of 14 assignments used, quality = 1.00: QD1 ILE 15 + H ILE 15 OK 98 100 100 98 1.9-2.8 2.1/669=43, 678/3.0=39...(23) * HG13 ILE 15 + H ILE 15 OK 98 100 100 98 3.8-4.1 669=50, 670/3.0=37...(19) QD1 ILE 15 - H GLU 17 far 0 93 0 - 5.8-6.3 QD1 ILE 93 - H GLU 17 far 0 87 0 - 6.0-7.4 QD1 ILE 93 - H ILE 15 far 0 96 0 - 6.9-8.1 HG13 ILE 15 - H GLU 17 far 0 93 0 - 7.3-7.7 QG1 VAL 5 - H ILE 15 far 0 81 0 - 8.4-8.9 QG2 ILE 93 - H GLU 17 far 0 93 0 - 8.4-10.0 QG1 VAL 5 - H GLU 17 far 0 70 0 - 8.5-9.4 QG2 ILE 8 - H ILE 15 far 0 73 0 - 8.5-9.0 QG1 VAL 58 - H ILE 15 far 0 70 0 - 9.1-10.1 HG13 ILE 93 - H GLU 17 far 0 90 0 - 9.4-11.0 QG2 ILE 93 - H ILE 15 far 0 100 0 - 9.9-11.2 QD1 LEU 6 - H ILE 15 far 0 96 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 6221 from nnoeabs.peaks (0.76, 8.07, 118.21 ppm; 3.07 A): 3 out of 18 assignments used, quality = 1.00: * QD1 ILE 15 + H ILE 15 OK 98 100 100 98 1.9-2.8 2.1/669=43, 678/3.0=39...(23) HG13 ILE 15 + H ILE 15 OK 98 100 100 98 3.8-4.1 669=50, 670/3.0=37...(20) QG2 ILE 7 + H ILE 15 OK 37 59 100 63 4.1-4.4 ~8261=13, 640/3.0=10...(19) QD1 ILE 15 - H GLU 17 far 0 93 0 - 5.8-6.3 QD1 ILE 93 - H GLU 17 far 0 91 0 - 6.0-7.4 QG2 ILE 7 - H GLU 17 far 0 51 0 - 6.4-7.1 QD1 ILE 93 - H ILE 15 far 0 99 0 - 6.9-8.1 HG13 ILE 15 - H GLU 17 far 0 93 0 - 7.3-7.7 QD2 LEU 57 - H ILE 15 far 0 65 0 - 7.9-9.3 QG1 VAL 5 - H ILE 15 far 0 71 0 - 8.4-8.9 QG2 ILE 93 - H GLU 17 far 0 91 0 - 8.4-10.0 QG1 VAL 5 - H GLU 17 far 0 62 0 - 8.5-9.4 QG2 ILE 8 - H ILE 15 far 0 82 0 - 8.5-9.0 QD2 LEU 57 - H GLU 17 far 0 56 0 - 9.0-10.6 QG1 VAL 58 - H ILE 15 far 0 59 0 - 9.1-10.1 HG13 ILE 93 - H GLU 17 far 0 86 0 - 9.4-11.0 QG2 ILE 93 - H ILE 15 far 0 99 0 - 9.9-11.2 QD1 LEU 6 - H ILE 15 far 0 99 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 6222 from nnoeabs.peaks (8.02, 8.07, 118.21 ppm; 2.59 A): 2 out of 4 assignments used, quality = 0.97: * H GLU 16 + H ILE 15 OK 85 100 100 85 2.7-2.9 6204/6209=20, 652/4.0=20...(19) H GLU 16 + H GLU 17 OK 78 93 100 83 2.7-2.9 6237/702=26, 6238/710=20...(14) H LYS 90 - H GLU 17 far 0 67 0 - 6.3-7.7 H LYS 90 - H ILE 15 far 0 77 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 6223 from nnoeabs.peaks (8.06, 8.07, 118.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H ILE 15 + H ILE 15 OK 99 99 - 100 H GLU 17 + H GLU 17 OK 93 93 - 100 Reference assignment not found: H GLU 17 - H ILE 15 Peak 6224 from nnoeabs.peaks (8.02, 8.02, 118.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 16 + H GLU 16 OK 100 100 - 100 H ARG 46 + H ARG 46 OK 64 64 - 100 Peak 6225 from nnoeabs.peaks (3.85, 8.02, 118.48 ppm; 4.26 A): 3 out of 6 assignments used, quality = 1.00: * HA LYS 12 + H GLU 16 OK 99 100 100 99 3.6-4.3 644/652=63, 10121/660=53...(14) HA GLU 43 + H ARG 46 OK 45 46 100 98 2.9-3.4 3.6/6716=46, 1958=40...(18) HB3 SER 49 + H ARG 46 OK 40 65 75 81 4.3-8.2 2270/3.0=29...(13) HA LYS 40 - H ARG 46 far 0 63 0 - 7.3-8.0 HA ALA 71 - H ARG 46 far 0 63 0 - 7.3-8.9 HA LEU 38 - H ARG 46 far 0 56 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 6226 from nnoeabs.peaks (4.15, 8.02, 118.48 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 13 + H GLU 16 OK 100 100 100 100 3.7-4.0 492=95, 493/6237=55...(11) HA LYS 47 - H ARG 46 poor 18 62 40 72 5.0-5.5 2.9/6761=61, 3.6/6739=8...(9) Violated in 20 structures by 0.21 A. Peak 6227 from nnoeabs.peaks (7.55, 8.02, 118.48 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + H GLU 16 OK 100 100 100 100 4.0-4.3 6204=100, 3.6/492=70...(20) H ILE 76 - H ARG 46 far 0 64 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 6228 from nnoeabs.peaks (3.68, 8.02, 118.48 ppm; 5.68 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 14 + H GLU 16 OK 100 100 100 100 4.0-4.6 3.0/6204=94, 8391/492=70...(11) HA LEU 42 + H ARG 46 OK 53 53 100 100 4.0-5.0 1906/6734=72...(15) HA LYS 90 - H GLU 16 far 0 98 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 6229 from nnoeabs.peaks (8.07, 8.02, 118.48 ppm; 2.87 A): 2 out of 6 assignments used, quality = 0.99: * H ILE 15 + H GLU 16 OK 92 100 100 92 2.7-2.9 6209/6204=26, 4.0/652=25...(18) H GLU 17 + H GLU 16 OK 90 99 100 92 2.7-2.9 6250/6237=36...(14) H LYS 13 - H GLU 16 far 0 100 0 - 4.7-4.9 H LYS 90 - H GLU 16 far 0 81 0 - 7.9-9.0 H GLU 75 - H ARG 46 far 0 65 0 - 8.1-9.8 H LYS 39 - H ARG 46 far 0 63 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 6230 from nnoeabs.peaks (3.26, 8.02, 118.48 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + H GLU 16 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6231 from nnoeabs.peaks (1.73, 8.02, 118.48 ppm; 3.22 A): 2 out of 13 assignments used, quality = 0.99: * HB ILE 15 + H GLU 16 OK 98 100 100 98 2.5-2.8 652=68, 2.1/660=48...(16) HG12 ILE 15 + H GLU 16 OK 55 65 90 94 4.5-4.7 2.9/652=44, 3.2/660=38...(16) HD2 LYS 12 - H GLU 16 far 12 79 15 - 3.6-6.2 HD3 LYS 12 - H GLU 16 far 12 79 15 - 4.3-7.8 HG3 ARG 19 - H GLU 16 far 0 75 0 - 4.8-7.8 HD2 LYS 13 - H GLU 16 far 0 79 0 - 5.6-7.8 HD3 LYS 13 - H GLU 16 far 0 82 0 - 5.8-7.5 HD2 LYS 90 - H GLU 16 far 0 99 0 - 6.9-10.3 HD3 LYS 90 - H GLU 16 far 0 71 0 - 7.1-11.0 HG2 PRO 86 - H GLU 16 far 0 63 0 - 7.1-8.5 HB2 LEU 2 - H ARG 46 far 0 46 0 - 8.5-11.8 HB3 LEU 70 - H ARG 46 far 0 60 0 - 9.9-11.6 HB2 GLU 28 - H ARG 46 far 0 61 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 6232 from nnoeabs.peaks (0.81, 8.02, 118.48 ppm; 3.49 A): 2 out of 11 assignments used, quality = 1.00: * QG2 ILE 15 + H GLU 16 OK 100 100 100 100 2.9-3.6 660=74, 2.1/652=62...(22) QD1 ILE 76 + H ARG 46 OK 62 63 100 99 2.3-3.6 9630=48, 9639/3.0=46...(27) QG2 ILE 7 - H GLU 16 far 5 99 5 - 4.8-5.5 QG2 ILE 52 - H ARG 46 far 2 42 5 - 3.5-6.3 QD2 LEU 2 - H ARG 46 far 0 65 0 - 6.5-9.6 QD1 LEU 6 - H ARG 46 far 0 32 0 - 7.4-9.5 QD2 LEU 38 - H ARG 46 far 0 61 0 - 8.8-12.1 QD2 LEU 57 - H GLU 16 far 0 97 0 - 8.8-10.4 QD1 LEU 57 - H GLU 16 far 0 94 0 - 9.4-11.2 QD1 LEU 70 - H ARG 46 far 0 64 0 - 9.6-11.3 QD2 LEU 70 - H ARG 46 far 0 65 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 6233 from nnoeabs.peaks (1.69, 8.02, 118.48 ppm; 3.67 A): 2 out of 18 assignments used, quality = 1.00: * HG12 ILE 15 + H GLU 16 OK 99 100 100 99 4.5-4.7 2.9/652=57, 2.1/684=50...(17) HB ILE 15 + H GLU 16 OK 65 65 100 99 2.5-2.8 2.1/660=63, 652=56...(15) HD2 LYS 12 - H GLU 16 far 15 100 15 - 3.6-6.2 HD3 LYS 12 - H GLU 16 far 15 100 15 - 4.3-7.8 HD3 LYS 47 - H ARG 46 far 3 61 5 - 5.1-7.1 HD2 LYS 20 - H GLU 16 far 0 96 0 - 5.2-7.3 HD3 LYS 20 - H GLU 16 far 0 93 0 - 5.4-8.2 HD2 LYS 47 - H ARG 46 far 0 61 0 - 5.5-7.4 HD2 LYS 13 - H GLU 16 far 0 100 0 - 5.6-7.8 HD3 LYS 13 - H GLU 16 far 0 99 0 - 5.8-7.5 HG3 LYS 20 - H GLU 16 far 0 93 0 - 6.0-8.1 HB ILE 52 - H ARG 46 far 0 52 0 - 6.0-8.1 HD3 LYS 90 - H GLU 16 far 0 100 0 - 7.1-11.0 HG2 PRO 86 - H GLU 16 far 0 100 0 - 7.1-8.5 HB2 LEU 2 - H ARG 46 far 0 64 0 - 8.5-11.8 HB3 LYS 40 - H ARG 46 far 0 63 0 - 9.2-10.2 HB3 LEU 70 - H ARG 46 far 0 53 0 - 9.9-11.6 HB3 LYS 53 - H ARG 46 far 0 64 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 6234 from nnoeabs.peaks (0.75, 8.02, 118.48 ppm; 3.87 A): 2 out of 11 assignments used, quality = 1.00: * HG13 ILE 15 + H GLU 16 OK 100 100 100 100 5.1-5.3 2.9/652=63, 2.1/684=56...(16) QD1 ILE 15 + H GLU 16 OK 100 100 100 100 3.7-4.2 684=66, 3.2/652=58...(20) QG2 ILE 52 - H ARG 46 poor 15 50 30 - 3.5-6.3 QD2 LEU 42 - H ARG 46 far 0 61 0 - 5.5-6.5 QG1 VAL 78 - H ARG 46 far 0 63 0 - 5.5-6.9 QG1 VAL 54 - H ARG 46 far 0 64 0 - 5.8-7.5 QD1 ILE 93 - H GLU 16 far 0 96 0 - 7.0-8.2 QD1 LEU 6 - H ARG 46 far 0 58 0 - 7.4-9.5 QG2 VAL 78 - H ARG 46 far 0 39 0 - 8.0-9.4 QG1 VAL 5 - H GLU 16 far 0 81 0 - 8.5-9.2 QG2 ILE 93 - H GLU 16 far 0 100 0 - 9.6-10.9 Violated in 12 structures by 0.05 A. Peak 6235 from nnoeabs.peaks (0.76, 8.02, 118.48 ppm; 3.87 A): 3 out of 13 assignments used, quality = 1.00: * QD1 ILE 15 + H GLU 16 OK 100 100 100 100 3.7-4.2 684=66, 3.2/652=58...(20) HG13 ILE 15 + H GLU 16 OK 100 100 100 100 5.1-5.3 2.9/652=63, 2.1/684=56...(16) QG2 ILE 7 + H GLU 16 OK 27 59 70 66 4.8-5.5 651/652=13, 640/3.6=12...(15) QG2 ILE 52 - H ARG 46 poor 17 56 30 - 3.5-6.3 QD2 LEU 42 - H ARG 46 far 0 64 0 - 5.5-6.5 QG1 VAL 78 - H ARG 46 far 0 60 0 - 5.5-6.9 QG1 VAL 54 - H ARG 46 far 0 65 0 - 5.8-7.5 QD1 ILE 93 - H GLU 16 far 0 99 0 - 7.0-8.2 QD1 LEU 6 - H ARG 46 far 0 62 0 - 7.4-9.5 QG2 VAL 78 - H ARG 46 far 0 33 0 - 8.0-9.4 QG1 VAL 5 - H GLU 16 far 0 71 0 - 8.5-9.2 QD2 LEU 57 - H GLU 16 far 0 65 0 - 8.8-10.4 QG2 ILE 93 - H GLU 16 far 0 99 0 - 9.6-10.9 Violated in 4 structures by 0.00 A. Peak 6236 from nnoeabs.peaks (4.04, 8.02, 118.48 ppm; 3.29 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 16 + H GLU 16 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 46 + H ARG 46 OK 44 44 100 100 2.7-2.9 3.0=100 HA GLU 17 - H GLU 16 far 0 99 0 - 5.3-5.4 HB2 SER 49 - H ARG 46 far 0 61 0 - 6.0-9.0 HA LYS 20 - H GLU 16 far 0 100 0 - 8.7-9.3 HB3 SER 59 - H GLU 16 far 0 99 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 6237 from nnoeabs.peaks (2.08, 8.02, 118.48 ppm; 3.17 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 16 + H GLU 16 OK 100 100 100 100 2.1-3.6 696=80, 1.8/6238=73...(13) HB2 MET 74 - H ARG 46 far 0 61 0 - 4.9-7.6 HB3 GLU 48 - H ARG 46 far 0 46 0 - 5.0-7.8 HB3 GLU 43 - H ARG 46 far 0 62 0 - 5.0-5.5 HB3 PRO 86 - H GLU 16 far 0 79 0 - 6.4-7.8 HB2 MET 21 - H GLU 16 far 0 85 0 - 8.7-10.4 Violated in 10 structures by 0.21 A. Peak 6238 from nnoeabs.peaks (2.17, 8.02, 118.48 ppm; 3.04 A): 1 out of 9 assignments used, quality = 0.99: * HB3 GLU 16 + H GLU 16 OK 99 100 100 99 2.4-3.6 704=71, 1.8/6237=64...(16) HG2 GLU 44 - H ARG 46 far 0 42 0 - 5.0-7.0 HG2 GLU 43 - H ARG 46 far 0 52 0 - 5.6-6.8 HB2 GLU 75 - H ARG 46 far 0 43 0 - 7.0-9.5 HG3 GLU 75 - H ARG 46 far 0 63 0 - 8.2-11.4 HG3 PRO 86 - H GLU 16 far 0 77 0 - 8.2-9.6 HB3 GLU 75 - H ARG 46 far 0 50 0 - 8.6-10.6 HG2 GLU 75 - H ARG 46 far 0 64 0 - 9.2-12.3 HB3 GLN 50 - H ARG 46 far 0 63 0 - 9.3-11.7 Violated in 10 structures by 0.27 A. Peak 6239 from nnoeabs.peaks (2.34, 8.02, 118.48 ppm; 3.57 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 16 + H GLU 16 OK 100 100 100 100 2.4-4.0 711=69, 3.0/6238=64...(14) HG2 GLU 48 - H ARG 46 poor 13 65 20 - 4.8-6.4 HG3 GLU 44 - H ARG 46 far 6 59 10 - 4.5-7.1 HG3 GLU 43 - H ARG 46 far 0 58 0 - 5.3-6.5 HB2 TYR 41 - H ARG 46 far 0 50 0 - 8.1-9.0 Violated in 1 structures by 0.02 A. Peak 6240 from nnoeabs.peaks (2.30, 8.02, 118.48 ppm; 3.51 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 16 + H GLU 16 OK 100 100 100 100 2.4-3.2 718=71, 3.0/6238=62...(13) HG2 GLU 48 - H ARG 46 far 6 37 15 - 4.8-6.4 HG3 GLU 43 - H ARG 46 far 0 50 0 - 5.3-6.5 HB2 GLU 48 - H ARG 46 far 0 65 0 - 5.5-7.6 HB2 TYR 4 - H ARG 46 far 0 64 0 - 7.3-8.9 HB2 TYR 41 - H ARG 46 far 0 58 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 6241 from nnoeabs.peaks (8.06, 8.02, 118.48 ppm; 2.40 A): 2 out of 6 assignments used, quality = 0.95: * H GLU 17 + H GLU 16 OK 79 100 100 79 2.7-2.9 6250/6237=25...(14) H ILE 15 + H GLU 16 OK 77 99 100 78 2.7-2.9 6209/6204=17, 4.0/652=16...(17) H LYS 13 - H GLU 16 far 0 98 0 - 4.7-4.9 H LYS 90 - H GLU 16 far 0 95 0 - 7.9-9.0 H GLU 75 - H ARG 46 far 0 61 0 - 8.1-9.8 H LYS 39 - H ARG 46 far 0 55 0 - 9.7-10.9 Violated in 20 structures by 0.08 A. Peak 6242 from nnoeabs.peaks (8.65, 8.02, 118.48 ppm; 4.82 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 18 + H GLU 16 OK 100 100 100 100 3.8-4.1 6264=69, 6263/3.6=67...(20) H ASP 11 - H GLU 16 far 0 94 0 - 7.2-7.8 H ASN 10 - H GLU 16 far 0 97 0 - 9.2-10.0 H LEU 55 - H ARG 46 far 0 56 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 6243 from nnoeabs.peaks (8.06, 8.06, 118.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 17 + H GLU 17 OK 100 100 - 100 H ILE 15 + H ILE 15 OK 90 90 - 100 Peak 6244 from nnoeabs.peaks (4.15, 8.06, 118.10 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.99: * HA LYS 13 + H GLU 17 OK 94 100 100 94 3.7-4.7 493/6250=66, 492/4.6=45...(10) HA LYS 13 + H ILE 15 OK 89 93 100 95 4.7-4.9 3.6/6209=56, 492/4.6=45...(14) HB2 SER 59 - H ILE 15 far 0 93 0 - 7.7-9.9 HB3 SER 85 - H GLU 17 far 0 65 0 - 9.0-11.0 HB3 SER 85 - H ILE 15 far 0 56 0 - 9.2-9.8 Violated in 2 structures by 0.01 A. Peak 6245 from nnoeabs.peaks (3.68, 8.06, 118.10 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 14 + H GLU 17 OK 94 100 100 94 3.4-3.8 593/6256=44...(17) HA LEU 14 + H ILE 15 OK 93 93 100 100 3.5-3.6 3.6=100 HA LYS 90 - H GLU 17 far 0 98 0 - 6.6-8.3 HA LYS 90 - H ILE 15 far 0 89 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 6246 from nnoeabs.peaks (8.07, 8.06, 118.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H GLU 17 + H GLU 17 OK 99 99 - 100 H ILE 15 + H ILE 15 OK 93 93 - 100 Reference assignment not found: H ILE 15 - H GLU 17 Peak 6247 from nnoeabs.peaks (3.26, 8.06, 118.10 ppm; 3.69 A): 2 out of 2 assignments used, quality = 0.99: HA ILE 15 + H ILE 15 OK 93 93 100 100 2.7-2.8 3.0=100 * HA ILE 15 + H GLU 17 OK 90 100 95 94 4.7-5.2 634=45, 6263/6259=44...(13) Violated in 0 structures by 0.00 A. Peak 6248 from nnoeabs.peaks (8.02, 8.06, 118.10 ppm; 2.56 A): 2 out of 4 assignments used, quality = 0.96: * H GLU 16 + H GLU 17 OK 84 100 100 84 2.7-2.9 6237/6250=29...(14) H GLU 16 + H ILE 15 OK 78 93 100 83 2.7-2.9 652/4.0=19, 660/4.0=18...(18) H LYS 90 - H GLU 17 far 0 77 0 - 6.3-7.7 H LYS 90 - H ILE 15 far 0 67 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 6249 from nnoeabs.peaks (4.04, 8.06, 118.10 ppm; 3.33 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 17 + H GLU 17 OK 99 99 100 100 2.7-2.8 2.9=100 * HA GLU 16 + H GLU 17 OK 99 100 100 99 3.6-3.6 3.6=81, 3.0/6250=53...(22) HA GLU 16 - H ILE 15 far 0 93 0 - 5.3-5.5 HA GLU 17 - H ILE 15 far 0 92 0 - 7.0-7.3 HB3 SER 59 - H ILE 15 far 0 92 0 - 7.1-8.7 HA LYS 20 - H GLU 17 far 0 100 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 6250 from nnoeabs.peaks (2.08, 8.06, 118.10 ppm; 3.26 A): 1 out of 12 assignments used, quality = 0.99: * HB2 GLU 16 + H GLU 17 OK 99 100 100 99 2.2-3.3 702=82, 1.8/710=47...(17) HB3 PRO 86 - H GLU 17 poor 16 79 20 - 4.4-6.1 HB2 GLU 16 - H ILE 15 far 0 93 0 - 4.8-6.4 HB3 PRO 86 - H ILE 15 far 0 69 0 - 6.4-7.2 HB2 MET 21 - H GLU 17 far 0 85 0 - 7.1-8.7 QE MET 21 - H GLU 17 far 0 88 0 - 8.3-9.2 HB VAL 83 - H ILE 15 far 0 54 0 - 8.8-9.5 HB2 MET 21 - H ILE 15 far 0 75 0 - 9.5-11.3 HG12 ILE 93 - H GLU 17 far 0 61 0 - 9.5-11.3 HB3 GLU 88 - H ILE 15 far 0 93 0 - 9.5-10.2 HG12 ILE 93 - H ILE 15 far 0 52 0 - 9.9-11.8 HB2 GLU 23 - H GLU 17 far 0 99 0 - 9.9-12.1 Violated in 7 structures by 0.02 A. Peak 6251 from nnoeabs.peaks (2.17, 8.06, 118.10 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 16 + H GLU 17 OK 100 100 100 100 2.2-3.9 1.8/6250=82, 710=76...(14) HB3 GLU 16 + H ILE 15 OK 37 93 50 80 4.9-6.5 6238/4.6=38, 710=24...(9) HG3 PRO 86 - H GLU 17 far 0 77 0 - 6.4-8.2 HG3 PRO 86 - H ILE 15 far 0 67 0 - 8.1-8.7 HB3 GLU 23 - H GLU 17 far 0 98 0 - 9.5-11.6 Violated in 1 structures by 0.01 A. Peak 6252 from nnoeabs.peaks (2.34, 8.06, 118.10 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 16 + H GLU 17 OK 100 100 100 100 2.6-4.5 3.0/6250=86, 689/3.6=71...(17) HG2 GLU 16 + H ILE 15 OK 79 93 95 89 4.9-6.6 6239/4.6=57, 717=42...(8) Violated in 0 structures by 0.00 A. Peak 6253 from nnoeabs.peaks (2.30, 8.06, 118.10 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 16 + H GLU 17 OK 99 100 100 99 1.9-4.4 3.0/6250=73, 3.0/710=52...(17) HG3 GLU 16 + H ILE 15 OK 80 93 100 86 4.8-5.5 6240/4.6=45, 1.8/717=32...(9) Violated in 13 structures by 0.07 A. Peak 6254 from nnoeabs.peaks (4.05, 8.06, 118.10 ppm; 3.16 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 17 + H GLU 17 OK 100 100 100 100 2.7-2.8 2.9=100 HA GLU 16 + H GLU 17 OK 97 99 100 98 3.6-3.6 3.6=70, 3.0/6250=48...(21) HA PRO 86 - H ILE 15 far 0 54 0 - 5.0-5.7 HA PRO 86 - H GLU 17 far 0 63 0 - 5.2-6.5 HA GLU 16 - H ILE 15 far 0 92 0 - 5.3-5.5 HA GLU 17 - H ILE 15 far 0 93 0 - 7.0-7.3 HB3 SER 59 - H ILE 15 far 0 86 0 - 7.1-8.7 HA LYS 20 - H GLU 17 far 0 100 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 6255 from nnoeabs.peaks (1.94, 8.06, 118.10 ppm; 3.11 A): 2 out of 11 assignments used, quality = 0.97: * HB2 GLU 17 + H GLU 17 OK 94 100 100 94 2.5-3.6 4.0=46, 3.0/6257=41...(15) HB3 LEU 14 + H ILE 15 OK 47 51 100 93 2.6-2.8 1.8/601=43, 4.4=36...(24) HB2 LYS 13 - H GLU 17 far 0 85 0 - 4.9-5.5 HB3 ARG 19 - H GLU 17 far 0 98 0 - 5.1-7.0 HB2 GLU 17 - H ILE 15 far 0 93 0 - 5.2-7.5 HB2 LYS 13 - H ILE 15 far 0 75 0 - 5.5-5.8 HB3 LEU 14 - H GLU 17 far 0 59 0 - 5.7-6.0 HB3 LYS 13 - H GLU 17 far 0 82 0 - 5.8-6.6 HB3 LYS 13 - H ILE 15 far 0 72 0 - 5.9-6.1 HB3 LYS 20 - H GLU 17 far 0 100 0 - 6.2-7.4 HB3 ARG 19 - H ILE 15 far 0 89 0 - 6.7-8.9 Violated in 0 structures by 0.00 A. Peak 6256 from nnoeabs.peaks (2.01, 8.06, 118.10 ppm; 3.17 A): 1 out of 4 assignments used, quality = 0.94: * HB3 GLU 17 + H GLU 17 OK 94 100 100 94 2.6-3.6 4.0=49, 748/6257=43...(15) HB3 GLU 17 - H ILE 15 far 0 93 0 - 5.4-7.3 HG12 ILE 93 - H GLU 17 far 0 75 0 - 9.5-11.3 HG12 ILE 93 - H ILE 15 far 0 65 0 - 9.9-11.8 Violated in 14 structures by 0.29 A. Peak 6257 from nnoeabs.peaks (2.24, 8.06, 118.10 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 17 + H GLU 17 OK 100 100 100 100 1.8-3.7 751=71, 748/6256=65...(12) HG2 GLU 17 - H ILE 15 far 0 93 0 - 5.3-7.2 Violated in 5 structures by 0.02 A. Peak 6258 from nnoeabs.peaks (2.43, 8.06, 118.10 ppm; 3.34 A): 2 out of 8 assignments used, quality = 0.99: * HG3 GLU 17 + H GLU 17 OK 99 100 100 99 1.9-3.3 758=65, 1.8/6257=63...(18) HB2 ASP 11 + H ILE 15 OK 34 93 45 82 4.6-5.5 8362/4.4=28...(12) HG3 GLU 17 - H ILE 15 far 0 93 0 - 5.1-6.0 HG3 MET 21 - H GLU 17 far 0 79 0 - 6.2-9.4 HB3 MET 21 - H GLU 17 far 0 77 0 - 6.5-8.2 HB2 ASP 11 - H GLU 17 far 0 100 0 - 8.6-9.2 HB3 MET 21 - H ILE 15 far 0 67 0 - 9.2-10.9 HG3 MET 21 - H ILE 15 far 0 69 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 6259 from nnoeabs.peaks (8.65, 8.06, 118.10 ppm; 3.16 A): 1 out of 5 assignments used, quality = 0.97: * H ALA 18 + H GLU 17 OK 97 100 100 97 2.7-2.9 6266=55, 6269/6256=40...(17) H ALA 18 - H ILE 15 far 5 93 5 - 4.6-4.9 H ASP 11 - H ILE 15 far 0 84 0 - 4.7-5.3 H ASN 10 - H ILE 15 far 0 88 0 - 6.7-7.4 H ASP 11 - H GLU 17 far 0 94 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 6260 from nnoeabs.peaks (8.90, 8.06, 118.10 ppm; 4.42 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + H GLU 17 OK 100 100 100 100 4.1-4.4 6279=100, 6281/6259=80...(11) H ARG 19 - H ILE 15 far 14 93 15 - 5.9-6.3 H LEU 57 - H ILE 15 far 0 69 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 6261 from nnoeabs.peaks (8.65, 8.65, 122.44 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H ALA 18 + H ALA 18 OK 100 100 - 100 H ASN 10 + H ASN 10 OK 79 79 - 100 H ASP 11 + H ASP 11 OK 55 55 - 100 Peak 6262 from nnoeabs.peaks (3.68, 8.65, 122.44 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 14 + H ALA 18 OK 100 100 100 100 3.6-4.3 8395=83, 593/6269=56...(21) HA LYS 90 + H ALA 18 OK 83 98 100 85 4.4-5.9 3.0/6264=25...(14) HA LEU 14 - H ASP 11 far 0 64 0 - 7.2-7.5 HA LEU 14 - H ASN 10 far 0 85 0 - 9.3-9.7 HA GLU 88 - H ALA 18 far 0 88 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 6263 from nnoeabs.peaks (3.26, 8.65, 122.44 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 15 + H ALA 18 OK 100 100 100 100 3.6-4.0 642=98, 643/2.9=79...(30) HA ILE 15 - H ASP 11 far 0 64 0 - 6.4-7.3 HA ILE 15 - H ASN 10 far 0 85 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 6264 from nnoeabs.peaks (8.02, 8.65, 122.44 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.99: * H GLU 16 + H ALA 18 OK 98 100 100 98 3.8-4.1 6242=56, 3.6/6263=47...(19) H LYS 90 + H ALA 18 OK 44 77 80 71 4.5-5.8 3.6/9940=37, 3.0/6262=20...(14) H GLU 16 - H ASP 11 far 0 64 0 - 7.2-7.8 H GLU 16 - H ASN 10 far 0 85 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 6265 from nnoeabs.peaks (4.04, 8.65, 122.44 ppm; 4.11 A): 3 out of 6 assignments used, quality = 1.00: HA GLU 17 + H ALA 18 OK 99 99 100 100 3.5-3.5 3.6=100 * HA GLU 16 + H ALA 18 OK 97 100 100 97 4.0-4.3 3.6/6259=67, 3.0/6242=49...(15) HB3 SER 59 + H ASN 10 OK 41 83 100 49 3.8-5.3 9405/3.6=28...(3) HB3 SER 59 - H ASP 11 poor 13 62 80 26 4.4-5.8 12230/338=11...(4) HA LYS 20 - H ALA 18 far 0 100 0 - 6.9-7.2 HA GLU 16 - H ASP 11 far 0 64 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 6266 from nnoeabs.peaks (8.06, 8.65, 122.44 ppm; 3.35 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 17 + H ALA 18 OK 100 100 100 100 2.7-2.9 6259=100, 6256/6269=45...(18) H ILE 15 + H ALA 18 OK 54 99 60 91 4.6-4.9 3.0/6263=37, 3.6/8395=24...(20) H LYS 90 - H ALA 18 poor 19 95 20 - 4.5-5.8 H ILE 15 - H ASP 11 far 6 61 10 - 4.7-5.3 H LYS 13 - H ASP 11 far 0 60 0 - 5.3-5.6 H ILE 15 - H ASN 10 far 0 81 0 - 6.7-7.4 H LYS 13 - H ALA 18 far 0 98 0 - 7.5-8.3 H LYS 13 - H ASN 10 far 0 80 0 - 7.6-7.8 H GLU 17 - H ASP 11 far 0 64 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 6267 from nnoeabs.peaks (4.05, 8.65, 122.44 ppm; 3.96 A): 4 out of 9 assignments used, quality = 1.00: * HA GLU 17 + H ALA 18 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 16 + H ALA 18 OK 96 99 100 96 4.0-4.3 3.6/6259=63, 3.0/6242=45...(15) HB3 SER 59 + H ASN 10 OK 34 77 100 44 3.8-5.3 12230/4.6=25...(3) HA PRO 86 + H ALA 18 OK 33 63 70 74 4.6-5.7 10971/9940=18...(17) HB3 SER 59 - H ASP 11 poor 11 57 80 23 4.4-5.8 12230/338=10...(4) HA LYS 20 - H ALA 18 far 0 100 0 - 6.9-7.2 HA PRO 86 - H ASP 11 far 0 33 0 - 7.9-8.8 HA PRO 86 - H ASN 10 far 0 47 0 - 9.6-10.6 HA GLU 16 - H ASP 11 far 0 62 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 6268 from nnoeabs.peaks (1.94, 8.65, 122.44 ppm; 3.68 A): 2 out of 19 assignments used, quality = 0.99: * HB2 GLU 17 + H ALA 18 OK 99 100 100 99 2.6-4.1 1.8/6269=74, 742=56...(19) HB3 LEU 14 + H ASP 11 OK 22 31 100 72 4.4-4.8 8362/4.0=22, 3.1/8398=17...(13) HB3 ARG 19 - H ALA 18 far 10 98 10 - 4.3-6.0 HB3 LEU 14 - H ALA 18 far 0 59 0 - 5.7-6.2 HB3 LYS 20 - H ALA 18 far 0 100 0 - 6.0-7.3 HB3 LEU 14 - H ASN 10 far 0 44 0 - 6.4-6.9 HB2 LYS 13 - H ALA 18 far 0 85 0 - 6.8-7.8 HB3 LYS 13 - H ASP 11 far 0 46 0 - 7.3-7.9 HB2 LYS 33 - H ASN 10 far 0 68 0 - 7.4-10.0 HB2 LYS 13 - H ASP 11 far 0 48 0 - 7.7-8.1 HB3 LYS 13 - H ALA 18 far 0 82 0 - 8.0-8.9 HB VAL 32 - H ASN 10 far 0 85 0 - 8.8-10.3 HB3 LYS 33 - H ASN 10 far 0 65 0 - 9.0-11.5 HB2 LYS 33 - H ASP 11 far 0 49 0 - 9.1-11.0 HB3 LYS 24 - H ALA 18 far 0 91 0 - 9.3-10.3 HB2 GLU 17 - H ASP 11 far 0 64 0 - 9.6-12.2 HB2 LYS 24 - H ALA 18 far 0 91 0 - 9.7-11.0 HB3 LYS 13 - H ASN 10 far 0 63 0 - 9.7-10.2 HB VAL 32 - H ASP 11 far 0 64 0 - 9.9-11.2 Violated in 2 structures by 0.01 A. Peak 6269 from nnoeabs.peaks (2.01, 8.65, 122.44 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.99: * HB3 GLU 17 + H ALA 18 OK 99 100 100 99 2.6-3.9 6256/6259=62...(16) HG12 ILE 93 - H ALA 18 far 0 75 0 - 6.8-8.7 HB3 GLU 17 - H ASP 11 far 0 64 0 - 9.7-11.9 Violated in 14 structures by 0.10 A. Peak 6270 from nnoeabs.peaks (2.24, 8.65, 122.44 ppm; 5.70 A): 1 out of 5 assignments used, quality = 1.00: * HG2 GLU 17 + H ALA 18 OK 100 100 100 100 4.1-5.2 757=100, 748/6269=98...(15) HG2 GLU 23 - H ALA 18 far 0 84 0 - 8.8-10.0 HG2 GLU 17 - H ASP 11 far 0 64 0 - 9.6-11.4 HG2 GLU 62 - H ASN 10 far 0 74 0 - 9.8-11.0 HG3 GLU 62 - H ASN 10 far 0 74 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 6271 from nnoeabs.peaks (2.43, 8.65, 122.44 ppm; 4.35 A): 5 out of 7 assignments used, quality = 1.00: * HG3 GLU 17 + H ALA 18 OK 100 100 100 100 3.9-4.7 3.0/6269=74, 764=66...(16) HB2 ASP 11 + H ASN 10 OK 81 84 100 96 3.9-4.5 8360/4.0=43, 8358/4.0=37...(11) HB3 MET 21 + H ALA 18 OK 67 77 95 92 4.5-6.4 ~959=43, ~770=28...(15) HB2 ASP 11 + H ASP 11 OK 64 64 100 100 2.1-3.0 4.0=100 HG3 MET 21 + H ALA 18 OK 38 79 55 88 4.9-7.1 ~959=31, ~770=20...(16) HB2 ASP 11 - H ALA 18 far 0 100 0 - 8.8-9.9 HG3 GLU 17 - H ASP 11 far 0 64 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 6272 from nnoeabs.peaks (3.77, 8.65, 122.44 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA ALA 18 + H ALA 18 OK 100 100 100 100 2.8-2.9 2.9=100 HA ARG 19 - H ALA 18 far 0 70 0 - 5.1-5.2 Violated in 0 structures by 0.00 A. Peak 6273 from nnoeabs.peaks (1.23, 8.65, 122.44 ppm; 2.90 A): 1 out of 8 assignments used, quality = 1.00: * QB ALA 18 + H ALA 18 OK 100 100 100 100 2.0-2.2 2.9=100 HB2 LEU 57 - H ALA 18 far 0 73 0 - 7.3-9.0 QG2 THR 84 - H ASN 10 far 0 78 0 - 7.8-10.0 QB ALA 18 - H ASP 11 far 0 64 0 - 7.8-8.4 QG2 THR 84 - H ASP 11 far 0 58 0 - 8.0-9.6 HB2 LEU 57 - H ASP 11 far 0 40 0 - 8.9-10.0 QB ALA 18 - H ASN 10 far 0 85 0 - 9.0-9.6 HB2 LEU 57 - H ASN 10 far 0 55 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 6274 from nnoeabs.peaks (8.90, 8.65, 122.44 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 19 + H ALA 18 OK 100 100 100 100 2.4-2.6 6281=100, 6283/2.9=59...(18) H LEU 57 - H ALA 18 far 0 79 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 6275 from nnoeabs.peaks (7.79, 8.65, 122.44 ppm; 4.49 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 20 + H ALA 18 OK 100 100 100 100 4.0-4.6 6291/6281=81, 6296=80...(15) H SER 9 + H ASN 10 OK 74 74 100 100 4.3-4.4 4.6=92, 2.9/6114=60...(13) H SER 9 + H ASP 11 OK 48 54 100 89 4.6-5.0 2.9/333=32, 6111=31...(11) H SER 9 - H ALA 18 far 0 93 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 6276 from nnoeabs.peaks (8.90, 8.90, 118.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 19 + H ARG 19 OK 100 100 - 100 Peak 6277 from nnoeabs.peaks (3.26, 8.90, 118.56 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + H ARG 19 OK 100 100 100 100 3.9-4.5 643/6283=82, 8434=81...(20) Violated in 0 structures by 0.00 A. Peak 6278 from nnoeabs.peaks (4.04, 8.90, 118.56 ppm; 3.64 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 16 + H ARG 19 OK 97 100 100 97 3.2-3.5 3.6/6279=39...(20) HA GLU 17 + H ARG 19 OK 93 99 100 94 4.3-4.6 3.6/6281=53, 2.9/6279=45...(11) HA LYS 20 - H ARG 19 far 0 100 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 6279 from nnoeabs.peaks (8.06, 8.90, 118.56 ppm; 4.31 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 17 + H ARG 19 OK 100 100 100 100 4.1-4.4 6260=93, 6259/6281=78...(11) H ILE 15 - H ARG 19 far 0 99 0 - 5.9-6.3 H LYS 90 - H ARG 19 far 0 95 0 - 6.6-7.7 H LYS 13 - H ARG 19 far 0 98 0 - 9.1-9.4 Violated in 1 structures by 0.00 A. Peak 6280 from nnoeabs.peaks (4.05, 8.90, 118.56 ppm; 3.65 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 16 + H ARG 19 OK 97 99 100 97 3.2-3.5 3.6/6279=40...(20) * HA GLU 17 + H ARG 19 OK 94 100 100 94 4.3-4.6 3.6/6281=54, 2.9/6279=45...(11) HA LYS 20 - H ARG 19 far 0 100 0 - 5.2-5.5 HA PRO 86 - H ARG 19 far 0 63 0 - 7.0-8.2 Violated in 0 structures by 0.00 A. Peak 6281 from nnoeabs.peaks (8.65, 8.90, 118.56 ppm; 3.23 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 18 + H ARG 19 OK 99 100 100 99 2.4-2.6 6274=85, 2.9/6283=54...(18) Violated in 0 structures by 0.00 A. Peak 6282 from nnoeabs.peaks (3.77, 8.90, 118.56 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 18 + H ARG 19 OK 99 100 100 99 3.5-3.5 3.6=81, 2.1/6283=69...(16) HA ARG 19 + H ARG 19 OK 70 70 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 6283 from nnoeabs.peaks (1.23, 8.90, 118.56 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.99: * QB ALA 18 + H ARG 19 OK 99 100 100 99 2.6-2.8 776=74, 2.9/6281=49...(25) HB2 LEU 57 - H ARG 19 far 0 73 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 6284 from nnoeabs.peaks (3.81, 8.90, 118.56 ppm; 3.24 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 19 + H ARG 19 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 18 + H ARG 19 OK 68 70 100 98 3.5-3.5 3.6=75, 2.1/6283=66...(15) HA ALA 22 - H ARG 19 far 0 95 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 6285 from nnoeabs.peaks (1.89, 8.90, 118.56 ppm; 2.94 A): 2 out of 9 assignments used, quality = 0.99: * HB2 ARG 19 + H ARG 19 OK 98 100 100 98 2.1-3.6 789=51, 1.8/799=45...(29) HB3 ARG 19 + H ARG 19 OK 61 63 100 97 2.2-3.5 1.8/789=46, 3.9=44...(18) HB2 LYS 20 - H ARG 19 far 0 100 0 - 5.3-6.1 HB VAL 5 - H ARG 19 far 0 75 0 - 6.8-7.7 HB3 LEU 14 - H ARG 19 far 0 99 0 - 7.6-8.2 HB2 LYS 12 - H ARG 19 far 0 81 0 - 8.6-9.8 HB2 LYS 13 - H ARG 19 far 0 87 0 - 8.9-9.5 HB3 LYS 12 - H ARG 19 far 0 84 0 - 9.6-10.6 HB3 LYS 13 - H ARG 19 far 0 90 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 6286 from nnoeabs.peaks (1.93, 8.90, 118.56 ppm; 3.04 A): 2 out of 9 assignments used, quality = 0.99: * HB3 ARG 19 + H ARG 19 OK 99 100 100 99 2.2-3.5 799=55, 1.8/789=50...(21) HB2 ARG 19 + H ARG 19 OK 62 63 100 98 2.1-3.6 1.8/799=49, 3.9=49...(22) HB2 GLU 17 - H ARG 19 far 0 98 0 - 4.9-6.0 HB3 LYS 20 - H ARG 19 far 0 100 0 - 5.6-6.3 HB3 LEU 14 - H ARG 19 far 0 82 0 - 7.6-8.2 HB3 LYS 24 - H ARG 19 far 0 71 0 - 8.5-9.7 HB2 LYS 24 - H ARG 19 far 0 71 0 - 8.8-10.1 HB2 LYS 13 - H ARG 19 far 0 98 0 - 8.9-9.5 HB3 LYS 13 - H ARG 19 far 0 96 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 6287 from nnoeabs.peaks (1.58, 8.90, 118.56 ppm; 4.13 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 19 + H ARG 19 OK 100 100 100 100 2.7-4.2 1.8/6288=89, 808=88...(28) HB3 LEU 29 + H ARG 19 OK 77 99 80 97 4.5-5.8 781/3.0=35, 3.1/8693=35...(22) HG3 LYS 90 - H ARG 19 poor 9 100 25 35 5.1-8.7 8488/6283=14...(6) HG3 LYS 12 - H ARG 19 far 0 99 0 - 8.9-11.7 HB2 ARG 30 - H ARG 19 far 0 94 0 - 9.2-10.3 HD3 LYS 94 - H ARG 19 far 0 98 0 - 9.7-12.6 HD2 LYS 94 - H ARG 19 far 0 59 0 - 9.7-12.3 HG2 LYS 24 - H ARG 19 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6288 from nnoeabs.peaks (1.76, 8.90, 118.56 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 19 + H ARG 19 OK 100 100 100 100 2.2-4.4 817=57, 782/3.0=54...(22) HB ILE 15 - H ARG 19 far 0 75 0 - 5.5-6.1 HD2 LYS 90 - H ARG 19 far 0 91 0 - 6.4-9.3 Violated in 4 structures by 0.13 A. Peak 6289 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 19 + H ARG 19 OK 100 100 100 100 4.1-5.3 3.0/6288=76, 3.6/789=66...(23) HD3 ARG 19 + H ARG 19 OK 100 100 100 100 4.1-5.3 3.0/6288=76, 3.6/789=66...(25) Violated in 5 structures by 0.02 A. Peak 6290 from nnoeabs.peaks (3.18, 8.90, 118.56 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 19 + H ARG 19 OK 100 100 100 100 4.1-5.3 3.0/6288=76, 3.6/789=66...(23) * HD3 ARG 19 + H ARG 19 OK 100 100 100 100 4.1-5.3 3.0/6288=76, 3.6/789=66...(25) Violated in 5 structures by 0.02 A. Peak 6291 from nnoeabs.peaks (7.79, 8.90, 118.56 ppm; 3.23 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 20 + H ARG 19 OK 100 100 100 100 2.5-2.9 6298=93, 797/789=32...(22) HE ARG 30 - H ARG 19 far 0 100 0 - 8.3-13.1 H SER 9 - H ARG 19 far 0 93 0 - 9.7-10.3 H GLU 28 - H ARG 19 far 0 100 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 6292 from nnoeabs.peaks (7.68, 8.90, 118.56 ppm; 4.62 A): 1 out of 2 assignments used, quality = 1.00: * H MET 21 + H ARG 19 OK 100 100 100 100 3.8-4.2 6315/6291=84, 6320=81...(19) H ALA 25 - H ARG 19 far 0 84 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 6293 from nnoeabs.peaks (7.79, 7.79, 118.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + H LYS 20 OK 100 100 - 100 Peak 6294 from nnoeabs.peaks (4.04, 7.79, 118.64 ppm; 3.21 A): 3 out of 3 assignments used, quality = 1.00: HA LYS 20 + H LYS 20 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLU 17 + H LYS 20 OK 86 99 100 86 3.6-4.0 732=36, 3.6/6296=25...(15) * HA GLU 16 + H LYS 20 OK 81 100 100 81 3.9-4.5 844=29, 6278/6291=21...(18) Violated in 0 structures by 0.00 A. Peak 6295 from nnoeabs.peaks (4.05, 7.79, 118.64 ppm; 3.04 A): 3 out of 4 assignments used, quality = 1.00: HA LYS 20 + H LYS 20 OK 100 100 100 100 2.8-2.9 2.9=100 * HA GLU 17 + H LYS 20 OK 82 100 100 82 3.6-4.0 732=30, 3.6/6296=21...(15) HA GLU 16 + H LYS 20 OK 76 99 100 76 3.9-4.5 844=25, 6280/6291=18...(17) HA PRO 86 - H LYS 20 far 0 63 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 6296 from nnoeabs.peaks (8.65, 7.79, 118.64 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 18 + H LYS 20 OK 100 100 100 100 4.0-4.6 6281/6291=88...(15) Violated in 0 structures by 0.00 A. Peak 6297 from nnoeabs.peaks (3.77, 7.79, 118.64 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 18 + H LYS 20 OK 99 100 100 99 4.1-5.0 3.6/6291=66, 769/6315=57...(15) HA ARG 19 + H LYS 20 OK 70 70 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6298 from nnoeabs.peaks (8.90, 7.79, 118.64 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 19 + H LYS 20 OK 100 100 100 100 2.5-2.9 6291=100, 789/797=33...(22) Violated in 0 structures by 0.00 A. Peak 6299 from nnoeabs.peaks (3.81, 7.79, 118.64 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 19 + H LYS 20 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 18 + H LYS 20 OK 67 70 100 97 4.1-5.0 3.6/6291=63, 2.1/8526=49...(14) HA ALA 22 - H LYS 20 far 0 95 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 6300 from nnoeabs.peaks (1.89, 7.79, 118.64 ppm; 3.00 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 20 + H LYS 20 OK 96 100 100 96 2.7-3.5 1.8/871=56, 4.0=41...(15) * HB2 ARG 19 + H LYS 20 OK 94 100 100 94 2.5-3.6 797=40, 789/6291=34...(24) HB3 ARG 19 + H LYS 20 OK 59 63 100 92 2.1-4.2 4.1=39, 1.8/797=38...(15) HB VAL 5 - H LYS 20 far 0 75 0 - 7.9-9.0 HB3 LEU 14 - H LYS 20 far 0 99 0 - 9.7-10.5 HB2 LYS 12 - H LYS 20 far 0 81 0 - 9.9-11.5 HB2 LYS 13 - H LYS 20 far 0 87 0 - 9.9-10.6 Violated in 2 structures by 0.00 A. Peak 6301 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.89 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 19 + H LYS 20 OK 93 100 100 93 2.1-4.2 1.8/797=35, 4.1=35...(17) HB3 LYS 20 + H LYS 20 OK 93 100 100 93 3.0-3.6 871=62, 3.0/893=31...(14) HB2 ARG 19 + H LYS 20 OK 56 63 100 88 2.5-3.6 4.1=35, 3.9/6291=30...(20) HB2 GLU 17 - H LYS 20 far 0 98 0 - 5.5-6.1 HB3 LYS 24 - H LYS 20 far 0 71 0 - 6.3-7.6 HB2 LYS 24 - H LYS 20 far 0 71 0 - 6.5-7.7 HB3 LEU 14 - H LYS 20 far 0 82 0 - 9.7-10.5 HB2 LYS 13 - H LYS 20 far 0 98 0 - 9.9-10.6 Violated in 1 structures by 0.00 A. Peak 6302 from nnoeabs.peaks (1.58, 7.79, 118.64 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 19 + H LYS 20 OK 100 100 100 100 2.1-5.0 4.9=88, 1.8/6303=88...(26) HB3 LEU 29 + H LYS 20 OK 36 99 40 93 5.3-7.1 3.1/8528=42, 781/3.6=38...(14) HG3 LYS 90 - H LYS 20 poor 9 100 25 35 5.2-8.6 10441/6315=14...(7) HG2 LYS 24 - H LYS 20 far 0 100 0 - 7.8-9.9 HD3 LYS 94 - H LYS 20 far 0 98 0 - 9.4-11.6 HD2 LYS 94 - H LYS 20 far 0 59 0 - 9.6-11.4 HG LEU 27 - H LYS 20 far 0 98 0 - 9.6-10.9 Violated in 11 structures by 0.03 A. Peak 6303 from nnoeabs.peaks (1.76, 7.79, 118.64 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * HG3 ARG 19 + H LYS 20 OK 100 100 100 100 3.2-5.0 6288/6291=71, 4.9=67...(20) HD2 LYS 90 - H LYS 20 far 0 91 0 - 6.4-9.4 HB ILE 15 - H LYS 20 far 0 75 0 - 7.8-8.3 Violated in 17 structures by 0.44 A. Peak 6304 from nnoeabs.peaks (3.18, 7.79, 118.64 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + H LYS 20 OK 100 100 100 100 4.2-6.1 3.0/6303=80, 3.6/797=76...(17) * HD2 ARG 19 + H LYS 20 OK 100 100 100 100 4.8-6.3 3.0/6303=80, 3.6/797=76...(18) Violated in 0 structures by 0.00 A. Peak 6305 from nnoeabs.peaks (3.18, 7.79, 118.64 ppm; 5.08 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 19 + H LYS 20 OK 100 100 100 100 4.2-6.1 3.0/6303=80, 3.6/797=76...(17) HD2 ARG 19 + H LYS 20 OK 100 100 100 100 4.8-6.3 3.0/6303=80, 3.6/797=76...(18) Violated in 0 structures by 0.00 A. Peak 6306 from nnoeabs.peaks (4.05, 7.79, 118.64 ppm; 3.04 A): 3 out of 4 assignments used, quality = 1.00: * HA LYS 20 + H LYS 20 OK 100 100 100 100 2.8-2.9 2.9=100 HA GLU 17 + H LYS 20 OK 82 100 100 82 3.6-4.0 732=30, 3.6/6296=21...(15) HA GLU 16 + H LYS 20 OK 76 100 100 76 3.9-4.5 844=25, 6278/6291=18...(17) HA PRO 86 - H LYS 20 far 0 61 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 6307 from nnoeabs.peaks (1.89, 7.79, 118.64 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 20 + H LYS 20 OK 96 100 100 96 2.7-3.5 1.8/871=56, 4.0=41...(15) HB2 ARG 19 + H LYS 20 OK 94 100 100 94 2.5-3.6 797=40, 789/6291=34...(24) HB VAL 5 - H LYS 20 far 0 81 0 - 7.9-9.0 HB3 LEU 14 - H LYS 20 far 0 98 0 - 9.7-10.5 HB2 LYS 12 - H LYS 20 far 0 85 0 - 9.9-11.5 HB2 LYS 13 - H LYS 20 far 0 82 0 - 9.9-10.6 Violated in 2 structures by 0.01 A. Peak 6308 from nnoeabs.peaks (1.93, 7.79, 118.64 ppm; 2.89 A): 2 out of 7 assignments used, quality = 0.99: * HB3 LYS 20 + H LYS 20 OK 93 100 100 93 3.0-3.6 871=62, 3.0/893=31...(14) HB3 ARG 19 + H LYS 20 OK 93 100 100 93 2.1-4.2 1.8/797=35, 4.1=35...(17) HB2 GLU 17 - H LYS 20 far 0 100 0 - 5.5-6.1 HB3 LYS 24 - H LYS 20 far 0 81 0 - 6.3-7.6 HB2 LYS 24 - H LYS 20 far 0 81 0 - 6.5-7.7 HB3 LEU 14 - H LYS 20 far 0 73 0 - 9.7-10.5 HB2 LYS 13 - H LYS 20 far 0 94 0 - 9.9-10.6 Violated in 3 structures by 0.02 A. Peak 6309 from nnoeabs.peaks (1.46, 7.79, 118.64 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 20 + H LYS 20 OK 100 100 100 100 1.4-2.0 882=73, 1.8/893=68...(23) QB ALA 22 + H LYS 20 OK 36 90 45 90 5.0-5.7 2.9/6343=44, 1007/3.6=24...(18) HG LEU 29 - H LYS 20 poor 18 90 20 - 5.1-7.2 HB2 LEU 27 - H LYS 20 far 0 100 0 - 8.6-9.4 HG12 ILE 7 - H LYS 20 far 0 71 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 6310 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.10 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 20 + H LYS 20 OK 97 100 100 97 2.0-3.5 893=49, 3.0/871=44...(19) HD3 LYS 20 + H LYS 20 OK 96 100 100 96 3.3-4.4 2.8/893=37, 3.5/871=37...(25) HD2 LYS 20 + H LYS 20 OK 95 100 100 95 2.2-4.2 2.8/893=37, 3.5/871=37...(26) HD3 LYS 90 - H LYS 20 far 0 90 0 - 6.7-9.7 HD3 LYS 24 - H LYS 20 far 0 90 0 - 7.4-11.0 HD2 LYS 24 - H LYS 20 far 0 91 0 - 8.1-10.8 HD2 LYS 12 - H LYS 20 far 0 84 0 - 8.7-11.6 HG12 ILE 15 - H LYS 20 far 0 93 0 - 8.8-9.4 HD3 LYS 12 - H LYS 20 far 0 84 0 - 9.0-13.3 Violated in 1 structures by 0.00 A. Peak 6311 from nnoeabs.peaks (1.68, 7.79, 118.64 ppm; 3.10 A): 3 out of 9 assignments used, quality = 1.00: HG3 LYS 20 + H LYS 20 OK 97 100 100 97 2.0-3.5 893=49, 3.0/871=44...(19) HD3 LYS 20 + H LYS 20 OK 96 100 100 96 3.3-4.4 2.8/893=37, 3.5/871=37...(25) * HD2 LYS 20 + H LYS 20 OK 95 100 100 95 2.2-4.2 2.8/893=37, 3.5/871=37...(26) HD3 LYS 90 - H LYS 20 far 0 93 0 - 6.7-9.7 HD3 LYS 24 - H LYS 20 far 0 93 0 - 7.4-11.0 HD2 LYS 24 - H LYS 20 far 0 94 0 - 8.1-10.8 HD2 LYS 12 - H LYS 20 far 0 88 0 - 8.7-11.6 HG12 ILE 15 - H LYS 20 far 0 96 0 - 8.8-9.4 HD3 LYS 12 - H LYS 20 far 0 88 0 - 9.0-13.3 Violated in 1 structures by 0.00 A. Peak 6312 from nnoeabs.peaks (1.67, 7.79, 118.64 ppm; 3.10 A): 3 out of 9 assignments used, quality = 1.00: HG3 LYS 20 + H LYS 20 OK 97 100 100 97 2.0-3.5 893=49, 3.0/871=44...(19) * HD3 LYS 20 + H LYS 20 OK 96 100 100 96 3.3-4.4 2.8/893=37, 3.5/871=37...(25) HD2 LYS 20 + H LYS 20 OK 95 100 100 95 2.2-4.2 2.8/893=37, 3.5/871=37...(26) HD3 LYS 90 - H LYS 20 far 0 90 0 - 6.7-9.7 HD3 LYS 24 - H LYS 20 far 0 90 0 - 7.4-11.0 HD2 LYS 24 - H LYS 20 far 0 91 0 - 8.1-10.8 HD2 LYS 12 - H LYS 20 far 0 84 0 - 8.7-11.6 HG12 ILE 15 - H LYS 20 far 0 93 0 - 8.8-9.4 HD3 LYS 12 - H LYS 20 far 0 84 0 - 9.0-13.3 Violated in 1 structures by 0.00 A. Peak 6313 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 4.67 A): 2 out of 6 assignments used, quality = 1.00: HE3 LYS 20 + H LYS 20 OK 100 100 100 100 1.8-4.9 3.6/893=70, 3.6/882=67...(31) * HE2 LYS 20 + H LYS 20 OK 100 100 100 100 1.9-5.2 3.6/893=70, 3.6/882=67...(28) HG2 MET 21 - H LYS 20 far 4 81 5 - 6.1-6.9 HE3 LYS 90 - H LYS 20 far 0 87 0 - 6.9-9.8 HE2 LYS 94 - H LYS 20 far 0 99 0 - 9.7-12.7 HE3 LYS 94 - H LYS 20 far 0 100 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 6314 from nnoeabs.peaks (2.91, 7.79, 118.64 ppm; 4.67 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 20 + H LYS 20 OK 100 100 100 100 1.8-4.9 3.6/893=70, 3.6/882=67...(31) HE2 LYS 20 + H LYS 20 OK 100 100 100 100 1.9-5.2 3.6/893=70, 3.6/882=67...(28) HG2 MET 21 - H LYS 20 far 4 82 5 - 6.1-6.9 HE3 LYS 90 - H LYS 20 far 0 88 0 - 6.9-9.8 HE2 LYS 94 - H LYS 20 far 0 100 0 - 9.7-12.7 HE3 LYS 94 - H LYS 20 far 0 100 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 6315 from nnoeabs.peaks (7.68, 7.79, 118.64 ppm; 3.20 A): 1 out of 2 assignments used, quality = 1.00: * H MET 21 + H LYS 20 OK 100 100 100 100 2.5-2.7 6322=96, 6345/6343=31...(24) H ALA 25 - H LYS 20 far 0 84 0 - 7.7-8.1 Violated in 0 structures by 0.00 A. Peak 6316 from nnoeabs.peaks (8.81, 7.79, 118.64 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H LYS 20 OK 100 100 100 100 4.2-4.7 6343=100, 6345/6315=87...(13) Violated in 2 structures by 0.00 A. Peak 6317 from nnoeabs.peaks (7.68, 7.68, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 21 + H MET 21 OK 100 100 - 100 Peak 6318 from nnoeabs.peaks (4.05, 7.68, 118.10 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: HA LYS 20 + H MET 21 OK 100 100 100 100 3.5-3.5 3.6=100 * HA GLU 17 + H MET 21 OK 81 100 100 81 4.0-4.7 732/6315=28, 5.0/8560=26...(15) HA GLU 16 - H MET 21 far 0 99 0 - 6.2-6.6 HA PRO 86 - H MET 21 far 0 63 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 6319 from nnoeabs.peaks (3.77, 7.68, 118.10 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 18 + H MET 21 OK 100 100 100 100 3.3-3.6 769=83, 959/6333=49...(20) HA ARG 19 + H MET 21 OK 67 70 100 97 4.0-4.6 3.6/6315=61, 3.0/6292=46...(17) Violated in 0 structures by 0.00 A. Peak 6320 from nnoeabs.peaks (8.90, 7.68, 118.10 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 19 + H MET 21 OK 100 100 100 100 3.8-4.2 6292=100, 6291/6315=90...(19) H VAL 5 - H MET 21 far 0 94 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 6321 from nnoeabs.peaks (3.81, 7.68, 118.10 ppm; 4.08 A): 3 out of 3 assignments used, quality = 1.00: * HA ARG 19 + H MET 21 OK 99 100 100 99 4.0-4.6 3.6/6315=66, 786/6345=55...(21) HA ALA 22 + H MET 21 OK 93 95 100 98 5.3-5.5 3.0/6345=78, 3.6/6339=42...(16) HA ALA 18 + H MET 21 OK 69 70 100 99 3.3-3.6 769=58, 2.1/8560=51...(20) Violated in 0 structures by 0.00 A. Peak 6322 from nnoeabs.peaks (7.79, 7.68, 118.10 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 20 + H MET 21 OK 100 100 100 100 2.5-2.7 6315=100, 6343/6345=32...(24) H GLU 28 - H MET 21 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 6323 from nnoeabs.peaks (4.05, 7.68, 118.10 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 20 + H MET 21 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 17 + H MET 21 OK 81 100 100 81 4.0-4.7 732/6315=28, 5.0/8560=26...(15) HA GLU 16 - H MET 21 far 0 100 0 - 6.2-6.6 HA PRO 86 - H MET 21 far 0 61 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 6324 from nnoeabs.peaks (1.89, 7.68, 118.10 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.99: * HB2 LYS 20 + H MET 21 OK 96 100 100 96 2.7-4.3 869=50, 4.0/6315=47...(17) HB2 ARG 19 + H MET 21 OK 62 100 70 88 4.7-5.7 797/6315=46, 789/6292=35...(13) HB VAL 5 - H MET 21 far 0 81 0 - 7.3-8.2 HB2 LYS 94 - H MET 21 far 0 71 0 - 7.7-10.7 Violated in 19 structures by 0.30 A. Peak 6325 from nnoeabs.peaks (1.93, 7.68, 118.10 ppm; 3.48 A): 3 out of 6 assignments used, quality = 0.97: * HB3 LYS 20 + H MET 21 OK 96 100 100 96 2.7-4.0 871/6315=52, 4.6=42...(14) HB3 ARG 19 + H MET 21 OK 25 100 30 85 4.5-6.1 4.1/6315=41, 799/6292=31...(11) HB3 LYS 24 + H MET 21 OK 21 81 40 64 4.5-5.7 958/3.0=15, 881=11...(13) HB2 GLU 17 - H MET 21 far 0 100 0 - 5.0-6.3 HB2 LYS 24 - H MET 21 far 0 81 0 - 5.0-6.4 HB2 LYS 94 - H MET 21 far 0 98 0 - 7.7-10.7 Violated in 4 structures by 0.02 A. Peak 6326 from nnoeabs.peaks (1.46, 7.68, 118.10 ppm; 4.05 A): 3 out of 7 assignments used, quality = 1.00: * HG2 LYS 20 + H MET 21 OK 99 100 100 99 2.1-4.0 882/6315=56, 3.0/869=51...(23) QB ALA 22 + H MET 21 OK 88 90 100 98 4.3-4.5 2.9/6345=78, 3.6/6339=41...(22) HG LEU 29 + H MET 21 OK 26 90 40 73 4.8-7.8 6353/6345=16...(16) HB2 LEU 27 - H MET 21 far 0 100 0 - 7.4-8.1 HG3 ARG 91 - H MET 21 far 0 100 0 - 8.8-10.6 HG12 ILE 7 - H MET 21 far 0 71 0 - 9.2-10.5 HB2 ARG 91 - H MET 21 far 0 79 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 6327 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 4.00 A): 3 out of 8 assignments used, quality = 1.00: * HG3 LYS 20 + H MET 21 OK 99 100 100 99 2.4-5.0 893/6315=58, 3.0/869=49...(19) HD3 LYS 20 + H MET 21 OK 92 100 95 96 4.5-5.7 3.5/869=44, 3.5/6325=41...(14) HD2 LYS 20 + H MET 21 OK 87 100 90 96 3.7-5.6 3.5/869=44, 3.5/6325=41...(14) HD3 LYS 24 - H MET 21 far 0 90 0 - 5.8-9.1 HD3 LYS 90 - H MET 21 far 0 90 0 - 5.8-8.1 HD2 LYS 24 - H MET 21 far 0 91 0 - 6.9-9.2 HG12 ILE 15 - H MET 21 far 0 93 0 - 9.9-10.4 HB3 ARG 91 - H MET 21 far 0 99 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 6328 from nnoeabs.peaks (1.68, 7.68, 118.10 ppm; 4.00 A): 3 out of 8 assignments used, quality = 1.00: HG3 LYS 20 + H MET 21 OK 99 100 100 99 2.4-5.0 893/6315=58, 3.0/869=49...(19) HD3 LYS 20 + H MET 21 OK 92 100 95 96 4.5-5.7 3.5/869=44, 3.5/6325=41...(14) * HD2 LYS 20 + H MET 21 OK 87 100 90 96 3.7-5.6 3.5/869=44, 3.5/6325=41...(14) HD3 LYS 24 - H MET 21 far 0 93 0 - 5.8-9.1 HD3 LYS 90 - H MET 21 far 0 93 0 - 5.8-8.1 HD2 LYS 24 - H MET 21 far 0 94 0 - 6.9-9.2 HG12 ILE 15 - H MET 21 far 0 96 0 - 9.9-10.4 HB3 ARG 91 - H MET 21 far 0 100 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 6329 from nnoeabs.peaks (1.67, 7.68, 118.10 ppm; 4.00 A): 3 out of 8 assignments used, quality = 1.00: HG3 LYS 20 + H MET 21 OK 99 100 100 99 2.4-5.0 893/6315=58, 3.0/869=49...(19) * HD3 LYS 20 + H MET 21 OK 92 100 95 96 4.5-5.7 3.5/869=44, 3.5/6325=41...(14) HD2 LYS 20 + H MET 21 OK 87 100 90 96 3.7-5.6 3.5/869=44, 3.5/6325=41...(14) HD3 LYS 24 - H MET 21 far 0 90 0 - 5.8-9.1 HD3 LYS 90 - H MET 21 far 0 90 0 - 5.8-8.1 HD2 LYS 24 - H MET 21 far 0 91 0 - 6.9-9.2 HG12 ILE 15 - H MET 21 far 0 93 0 - 9.9-10.4 HB3 ARG 91 - H MET 21 far 0 99 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 6330 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.19 A): 3 out of 6 assignments used, quality = 1.00: HE3 LYS 20 + H MET 21 OK 95 100 100 95 4.3-5.6 4.7/869=37, 3.6/903=33...(13) * HE2 LYS 20 + H MET 21 OK 95 100 100 95 4.3-5.5 4.7/869=37, 3.6/903=33...(13) HG2 MET 21 + H MET 21 OK 81 81 100 100 3.9-4.4 3.0/6333=80, 977=74...(20) HE3 LYS 90 - H MET 21 far 0 87 0 - 6.0-8.7 HE3 LYS 94 - H MET 21 far 0 100 0 - 7.2-10.4 HE2 LYS 94 - H MET 21 far 0 99 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 6331 from nnoeabs.peaks (2.91, 7.68, 118.10 ppm; 4.19 A): 3 out of 6 assignments used, quality = 1.00: * HE3 LYS 20 + H MET 21 OK 95 100 100 95 4.3-5.6 4.7/869=37, 3.6/903=33...(13) HE2 LYS 20 + H MET 21 OK 95 100 100 95 4.3-5.5 4.7/869=37, 3.6/903=33...(13) HG2 MET 21 + H MET 21 OK 82 82 100 100 3.9-4.4 3.0/6333=80, 977=76...(20) HE3 LYS 90 - H MET 21 far 0 88 0 - 6.0-8.7 HE3 LYS 94 - H MET 21 far 0 100 0 - 7.2-10.4 HE2 LYS 94 - H MET 21 far 0 100 0 - 7.3-10.2 Violated in 0 structures by 0.00 A. Peak 6332 from nnoeabs.peaks (4.41, 7.68, 118.10 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + H MET 21 OK 100 100 100 100 2.8-2.8 3.0=100 HA ALA 25 - H MET 21 far 0 100 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 6333 from nnoeabs.peaks (2.05, 7.68, 118.10 ppm; 3.11 A): 1 out of 6 assignments used, quality = 0.94: * HB2 MET 21 + H MET 21 OK 94 100 100 94 2.1-3.5 960=52, 3.0/977=34...(13) HB2 GLU 23 - H MET 21 far 0 65 0 - 5.0-7.2 HG12 ILE 93 - H MET 21 far 0 98 0 - 5.8-7.6 HB2 GLU 16 - H MET 21 far 0 85 0 - 6.8-8.2 HB3 LYS 94 - H MET 21 far 0 81 0 - 8.4-10.3 HG2 GLU 28 - H MET 21 far 0 98 0 - 9.6-12.4 Violated in 17 structures by 0.22 A. Peak 6334 from nnoeabs.peaks (2.40, 7.68, 118.10 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 21 + H MET 21 OK 100 100 100 100 2.1-3.2 4.0=95, 1.8/6333=94...(21) HG3 MET 21 + H MET 21 OK 100 100 100 100 3.0-4.5 3.0/6333=74, 1.8/977=72...(20) HG3 GLU 17 - H MET 21 far 0 77 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 6335 from nnoeabs.peaks (2.94, 7.68, 118.10 ppm; 3.99 A): 3 out of 8 assignments used, quality = 1.00: * HG2 MET 21 + H MET 21 OK 100 100 100 100 3.9-4.4 977=93, 3.0/6333=75...(21) HE2 LYS 20 + H MET 21 OK 66 81 90 91 4.3-5.5 4.7/869=34, 3.6/903=29...(13) HE3 LYS 20 + H MET 21 OK 64 82 85 92 4.3-5.6 4.7/869=34, 3.6/903=29...(13) HE3 LYS 90 - H MET 21 far 0 100 0 - 6.0-8.7 HE3 LYS 24 - H MET 21 far 0 90 0 - 6.3-9.7 HE2 LYS 24 - H MET 21 far 0 90 0 - 6.3-9.8 HE3 LYS 94 - H MET 21 far 0 79 0 - 7.2-10.4 HE2 LYS 94 - H MET 21 far 0 92 0 - 7.3-10.2 Violated in 1 structures by 0.01 A. Peak 6336 from nnoeabs.peaks (2.40, 7.68, 118.10 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: HB3 MET 21 + H MET 21 OK 100 100 100 100 2.1-3.2 4.0=95, 1.8/6333=94...(21) * HG3 MET 21 + H MET 21 OK 100 100 100 100 3.0-4.5 3.0/6333=74, 1.8/977=72...(20) HG3 GLU 17 - H MET 21 far 0 79 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 6337 from nnoeabs.peaks (2.10, 7.68, 118.10 ppm; 3.43 A): 1 out of 6 assignments used, quality = 0.98: * QE MET 21 + H MET 21 OK 98 100 100 98 4.0-4.4 954/3.0=48, 6351/6345=48...(18) HB2 GLU 23 - H MET 21 far 0 98 0 - 5.0-7.2 HB2 GLU 16 - H MET 21 far 0 88 0 - 6.8-8.2 HB3 PRO 86 - H MET 21 far 0 100 0 - 7.7-9.2 HB2 PRO 86 - H MET 21 far 0 91 0 - 8.5-9.8 HG2 GLU 28 - H MET 21 far 0 68 0 - 9.6-12.4 Violated in 20 structures by 0.83 A. Peak 6338 from nnoeabs.peaks (8.81, 7.68, 118.10 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H MET 21 OK 100 100 100 100 2.7-2.9 6345=100, 6351/6337=38...(20) Violated in 0 structures by 0.00 A. Peak 6339 from nnoeabs.peaks (8.28, 7.68, 118.10 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 23 + H MET 21 OK 100 100 100 100 3.6-4.4 6354/6345=90...(22) H LYS 94 - H MET 21 far 0 98 0 - 7.2-8.6 H LEU 27 - H MET 21 far 0 68 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 6340 from nnoeabs.peaks (8.81, 8.81, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H ALA 22 OK 100 100 - 100 Peak 6341 from nnoeabs.peaks (3.77, 8.81, 122.15 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.98: * HA ALA 18 + H ALA 22 OK 95 100 100 95 3.7-4.8 769/6345=42, 2.1/8569=39...(17) HA ARG 19 + H ALA 22 OK 64 70 100 91 3.6-4.1 3.6/6343=33, 786=32...(18) Violated in 13 structures by 0.04 A. Peak 6342 from nnoeabs.peaks (3.81, 8.81, 122.15 ppm; 3.14 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 22 + H ALA 22 OK 95 95 100 100 2.8-2.9 3.0=100 * HA ARG 19 + H ALA 22 OK 92 100 100 92 3.6-4.1 786=39, 3.6/6343=26...(19) HA ALA 18 + H ALA 22 OK 54 70 95 81 3.7-4.8 2.1/8569=30, 769/6345=20...(16) HA SER 97 - H ALA 22 far 0 100 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 6343 from nnoeabs.peaks (7.79, 8.81, 122.15 ppm; 4.49 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 20 + H ALA 22 OK 100 100 100 100 4.2-4.7 6316=89, 6315/6345=84...(13) H GLU 28 - H ALA 22 far 0 100 0 - 6.8-7.5 HE ARG 30 - H ALA 22 far 0 100 0 - 9.5-13.4 Violated in 12 structures by 0.06 A. Peak 6344 from nnoeabs.peaks (4.05, 8.81, 122.15 ppm; 4.62 A): 1 out of 4 assignments used, quality = 0.99: * HA LYS 20 + H ALA 22 OK 99 100 100 99 4.1-4.9 3.6/6345=81...(11) HA GLU 17 - H ALA 22 far 0 100 0 - 6.6-7.2 HA GLU 16 - H ALA 22 far 0 100 0 - 7.7-8.3 HA PRO 86 - H ALA 22 far 0 61 0 - 9.4-10.7 Violated in 16 structures by 0.09 A. Peak 6345 from nnoeabs.peaks (7.68, 8.81, 122.15 ppm; 3.08 A): 1 out of 3 assignments used, quality = 0.99: * H MET 21 + H ALA 22 OK 99 100 100 99 2.7-2.9 6338=88, 6337/6351=35...(20) H ALA 25 - H ALA 22 far 8 84 10 - 4.5-4.9 H GLU 98 - H ALA 22 far 0 79 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 6346 from nnoeabs.peaks (4.41, 8.81, 122.15 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + H ALA 22 OK 100 100 100 100 3.5-3.6 3.6=100 HA ALA 25 - H ALA 22 far 0 100 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 6347 from nnoeabs.peaks (2.05, 8.81, 122.15 ppm; 3.35 A): 2 out of 7 assignments used, quality = 0.98: * HB2 MET 21 + H ALA 22 OK 96 100 100 96 2.5-3.9 6333/6345=55, 967=49...(18) HG12 ILE 93 + H ALA 22 OK 48 98 60 82 3.8-5.7 2.1/11004=35...(18) HB2 GLU 23 - H ALA 22 far 3 65 5 - 4.7-6.4 HG2 GLU 28 - H ALA 22 far 0 98 0 - 7.8-10.3 HB3 LYS 94 - H ALA 22 far 0 81 0 - 7.9-9.4 HG3 GLU 28 - H ALA 22 far 0 98 0 - 8.4-9.9 HB2 GLU 16 - H ALA 22 far 0 85 0 - 9.0-10.2 Violated in 2 structures by 0.04 A. Peak 6348 from nnoeabs.peaks (2.40, 8.81, 122.15 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 21 + H ALA 22 OK 100 100 100 100 2.6-4.2 4.6=100 HG3 MET 21 + H ALA 22 OK 100 100 100 100 2.5-5.0 1.8/6349=82, 3.4/6351=81...(22) HG3 GLU 17 - H ALA 22 far 0 77 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6349 from nnoeabs.peaks (2.94, 8.81, 122.15 ppm; 4.77 A): 1 out of 8 assignments used, quality = 1.00: * HG2 MET 21 + H ALA 22 OK 100 100 100 100 2.2-5.0 984=82, 3.4/6351=79...(22) HE3 LYS 20 - H ALA 22 poor 16 82 20 - 6.1-8.0 HE2 LYS 20 - H ALA 22 far 0 81 0 - 6.3-8.3 HE3 LYS 24 - H ALA 22 far 0 90 0 - 6.9-10.4 HE2 LYS 24 - H ALA 22 far 0 90 0 - 6.9-10.3 HE2 LYS 94 - H ALA 22 far 0 92 0 - 7.0-10.3 HE3 LYS 94 - H ALA 22 far 0 79 0 - 7.6-10.5 HE3 LYS 90 - H ALA 22 far 0 100 0 - 8.0-10.5 Violated in 17 structures by 0.10 A. Peak 6350 from nnoeabs.peaks (2.40, 8.81, 122.15 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: HB3 MET 21 + H ALA 22 OK 100 100 100 100 2.6-4.2 4.6=100 * HG3 MET 21 + H ALA 22 OK 100 100 100 100 2.5-5.0 1.8/6349=82, 3.4/6351=81...(22) HG3 GLU 17 - H ALA 22 far 0 79 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6351 from nnoeabs.peaks (2.10, 8.81, 122.15 ppm; 3.66 A): 1 out of 6 assignments used, quality = 1.00: * QE MET 21 + H ALA 22 OK 100 100 100 100 3.2-4.4 6337/6345=58, 954/3.6=47...(21) HB2 GLU 23 - H ALA 22 far 5 98 5 - 4.7-6.4 HG2 GLU 28 - H ALA 22 far 0 68 0 - 7.8-10.3 HG3 GLU 28 - H ALA 22 far 0 68 0 - 8.4-9.9 HB2 GLU 16 - H ALA 22 far 0 88 0 - 9.0-10.2 HB3 PRO 86 - H ALA 22 far 0 100 0 - 9.6-10.9 Violated in 13 structures by 0.16 A. Peak 6352 from nnoeabs.peaks (3.83, 8.81, 122.15 ppm; 3.14 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 22 + H ALA 22 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 19 + H ALA 22 OK 86 95 100 90 3.6-4.1 786=36, 3.6/6343=26...(18) HA LYS 94 - H ALA 22 far 0 59 0 - 6.8-7.9 HA SER 97 - H ALA 22 far 0 99 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 6353 from nnoeabs.peaks (1.44, 8.81, 122.15 ppm; 2.76 A): 2 out of 6 assignments used, quality = 0.98: * QB ALA 22 + H ALA 22 OK 96 100 100 96 2.1-2.2 2.9=85, 3.6/6354=29...(22) HG LEU 29 + H ALA 22 OK 33 100 45 73 3.8-6.5 2.1/8568=15, 2.1/8568=14...(21) HB2 LEU 27 - H ALA 22 far 0 90 0 - 4.7-5.3 HG2 LYS 20 - H ALA 22 far 0 90 0 - 4.8-6.1 HG12 ILE 7 - H ALA 22 far 0 99 0 - 9.1-10.0 HG3 ARG 91 - H ALA 22 far 0 95 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 6354 from nnoeabs.peaks (8.28, 8.81, 122.15 ppm; 3.26 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 23 + H ALA 22 OK 99 100 100 99 2.4-2.9 6361=81, 6363/2.9=40...(24) H LEU 27 - H ALA 22 far 0 68 0 - 5.7-6.2 H LYS 94 - H ALA 22 far 0 98 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 6355 from nnoeabs.peaks (7.57, 8.81, 122.15 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + H ALA 22 OK 100 100 100 100 3.8-4.3 6374=100, 6369/6354=85...(16) Violated in 0 structures by 0.00 A. Peak 6356 from nnoeabs.peaks (8.28, 8.28, 117.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 23 + H GLU 23 OK 100 100 - 100 Peak 6357 from nnoeabs.peaks (3.81, 8.28, 117.00 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 19 + H GLU 23 OK 97 100 100 97 3.9-4.7 786/6354=52, 12163=47...(16) HA ALA 22 + H GLU 23 OK 95 95 100 100 3.5-3.6 3.6=100 HA ALA 18 - H GLU 23 far 0 70 0 - 6.1-7.1 HA SER 97 - H GLU 23 far 0 100 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 6358 from nnoeabs.peaks (4.05, 8.28, 117.00 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.99: * HA LYS 20 + H GLU 23 OK 99 100 100 99 3.3-3.6 855=65, 6344/6354=49...(14) HA GLU 17 - H GLU 23 far 0 100 0 - 7.7-8.4 HA GLU 16 - H GLU 23 far 0 100 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 6359 from nnoeabs.peaks (7.68, 8.28, 117.00 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * H MET 21 + H GLU 23 OK 100 100 100 100 3.6-4.4 6345/6354=79, 6339=69...(22) H ALA 25 + H GLU 23 OK 83 84 100 99 3.7-4.2 6397/6369=56...(19) Violated in 0 structures by 0.00 A. Peak 6360 from nnoeabs.peaks (4.41, 8.28, 117.00 ppm; 5.03 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + H GLU 23 OK 100 100 100 100 4.0-4.9 3.6/6354=87, 3.0/6339=70...(16) HA ALA 25 - H GLU 23 far 0 100 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 6361 from nnoeabs.peaks (8.81, 8.28, 117.00 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H GLU 23 OK 100 100 100 100 2.4-2.9 6354=100, 2.9/6363=45...(24) Violated in 0 structures by 0.00 A. Peak 6362 from nnoeabs.peaks (3.83, 8.28, 117.00 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 22 + H GLU 23 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 19 + H GLU 23 OK 92 95 100 97 3.9-4.7 786/6354=48, 12163=44...(15) HA LYS 94 - H GLU 23 far 0 59 0 - 8.0-9.4 HA SER 97 - H GLU 23 far 0 99 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 6363 from nnoeabs.peaks (1.44, 8.28, 117.00 ppm; 3.33 A): 2 out of 4 assignments used, quality = 1.00: * QB ALA 22 + H GLU 23 OK 99 100 100 99 2.4-3.0 3.6=79, 2.9/6354=54...(28) HB2 LEU 27 + H GLU 23 OK 28 90 50 63 4.1-5.2 8636/3.6=28...(11) HG LEU 29 - H GLU 23 far 0 100 0 - 5.0-7.2 HG2 LYS 20 - H GLU 23 far 0 90 0 - 5.4-6.3 Violated in 0 structures by 0.00 A. Peak 6364 from nnoeabs.peaks (4.15, 8.28, 117.00 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 23 + H GLU 23 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6365 from nnoeabs.peaks (2.09, 8.28, 117.00 ppm; 3.36 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 23 + H GLU 23 OK 100 100 100 100 2.4-3.6 1.8/6366=75, 1020=73...(14) QE MET 21 - H GLU 23 poor 20 98 20 - 4.7-5.8 HB2 MET 21 - H GLU 23 far 7 65 10 - 4.7-6.1 HG2 GLU 28 - H GLU 23 far 0 88 0 - 5.5-9.1 HG3 GLU 28 - H GLU 23 far 0 88 0 - 6.1-8.6 HB2 GLU 16 - H GLU 23 far 0 99 0 - 9.5-11.0 Violated in 19 structures by 0.20 A. Peak 6366 from nnoeabs.peaks (2.15, 8.28, 117.00 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: * HB3 GLU 23 + H GLU 23 OK 100 100 100 100 2.2-3.6 1028=86, 1.8/6365=66...(14) HB3 GLU 16 - H GLU 23 far 0 98 0 - 9.5-10.9 Violated in 1 structures by 0.02 A. Peak 6367 from nnoeabs.peaks (2.27, 8.28, 117.00 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 23 + H GLU 23 OK 100 100 100 100 2.7-4.0 1.8/1042=87, 2.9/6366=77...(13) Violated in 0 structures by 0.00 A. Peak 6368 from nnoeabs.peaks (2.49, 8.28, 117.00 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 23 + H GLU 23 OK 100 100 100 100 2.5-3.4 1042=100, 2.9/6366=67...(17) HB3 TYR 4 - H GLU 23 far 0 73 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 6369 from nnoeabs.peaks (7.57, 8.28, 117.00 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + H GLU 23 OK 100 100 100 100 2.3-2.7 6376=66, 6377/3.0=57...(21) Violated in 0 structures by 0.00 A. Peak 6370 from nnoeabs.peaks (7.71, 8.28, 117.00 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 25 + H GLU 23 OK 100 100 100 100 3.7-4.2 6397/6369=78...(19) H MET 21 + H GLU 23 OK 84 84 100 100 3.6-4.4 6339=65, 6338/6354=64...(22) Violated in 0 structures by 0.00 A. Peak 6371 from nnoeabs.peaks (7.57, 7.57, 119.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 24 + H LYS 24 OK 100 100 - 100 H GLU 88 + H GLU 88 OK 100 100 - 100 Peak 6372 from nnoeabs.peaks (4.05, 7.57, 119.96 ppm; 3.66 A): 2 out of 6 assignments used, quality = 0.93: * HA LYS 20 + H LYS 24 OK 84 100 100 84 3.7-4.4 6358/6369=42...(11) HA PRO 86 + H GLU 88 OK 53 61 100 87 4.6-4.8 3.5/7386=51...(14) HA GLU 17 - H LYS 24 far 0 100 0 - 8.4-9.0 HB3 SER 59 - H GLU 88 far 0 96 0 - 9.3-10.9 HA GLU 17 - H GLU 88 far 0 100 0 - 9.6-11.2 HA GLU 16 - H LYS 24 far 0 100 0 - 9.8-10.5 Violated in 19 structures by 0.19 A. Peak 6373 from nnoeabs.peaks (4.41, 7.57, 119.96 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HA MET 21 + H LYS 24 OK 98 100 100 98 3.4-3.8 956=65, 3.6/6374=36...(19) HA ALA 25 + H LYS 24 OK 98 100 100 98 4.9-5.2 3.0/6397=70, 2.1/8607=56...(16) HB THR 84 - H GLU 88 far 0 78 0 - 7.8-8.5 HA HIS 106 - H GLU 88 far 0 100 0 - 8.3-23.4 Violated in 0 structures by 0.00 A. Peak 6374 from nnoeabs.peaks (8.81, 7.57, 119.96 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + H LYS 24 OK 100 100 100 100 3.8-4.3 6355=98, 6354/6369=85...(16) Violated in 0 structures by 0.00 A. Peak 6375 from nnoeabs.peaks (3.83, 7.57, 119.96 ppm; 5.11 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 22 + H LYS 24 OK 100 100 100 100 4.0-4.4 6394/6397=84...(20) HA ARG 19 + H LYS 24 OK 44 95 50 93 6.2-7.0 786/6374=53...(8) HA LYS 94 - H LYS 24 far 0 59 0 - 7.4-8.5 HA SER 97 - H LYS 24 far 0 99 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 6376 from nnoeabs.peaks (8.28, 7.57, 119.96 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 23 + H LYS 24 OK 100 100 100 100 2.3-2.7 6369=85, 3.0/6377=51...(21) H LEU 27 + H LYS 24 OK 51 68 100 75 4.4-4.9 4.6/8606=25...(12) H LYS 94 - H LYS 24 far 0 98 0 - 8.1-9.5 H LYS 94 - H GLU 88 far 0 97 0 - 9.2-9.7 Violated in 0 structures by 0.00 A. Peak 6377 from nnoeabs.peaks (4.15, 7.57, 119.96 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 23 + H LYS 24 OK 100 100 100 100 3.5-3.5 3.6=94, 3.0/6369=53...(19) Violated in 3 structures by 0.00 A. Peak 6378 from nnoeabs.peaks (2.09, 7.57, 119.96 ppm; 2.89 A): 4 out of 12 assignments used, quality = 1.00: HB3 GLU 88 + H GLU 88 OK 95 99 100 96 2.7-3.1 1.8/7393=51, 3879=44...(21) * HB2 GLU 23 + H LYS 24 OK 92 100 100 92 3.0-4.1 3.0/6377=36...(14) HB VAL 83 + H GLU 88 OK 54 83 80 81 4.2-4.6 9822/7393=22...(17) QE MET 21 + H LYS 24 OK 45 98 55 83 4.2-4.8 8540/3.0=23, 954/956=21...(18) HB2 MET 21 - H LYS 24 far 0 65 0 - 5.1-5.7 HB3 PRO 86 - H GLU 88 far 0 93 0 - 5.3-5.6 HB2 PRO 86 - H GLU 88 far 0 71 0 - 6.0-6.3 HG3 GLU 104 - H GLU 88 far 0 98 0 - 7.1-21.4 HG2 GLU 28 - H LYS 24 far 0 88 0 - 7.3-10.5 HG3 GLU 28 - H LYS 24 far 0 88 0 - 7.6-9.7 QE MET 21 - H GLU 88 far 0 97 0 - 8.6-9.5 HB2 MET 21 - H GLU 88 far 0 65 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 6379 from nnoeabs.peaks (2.15, 7.57, 119.96 ppm; 3.05 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLU 88 + H GLU 88 OK 95 97 100 97 1.9-4.5 3886=47, 3.0/7393=42...(17) * HB3 GLU 23 + H LYS 24 OK 93 100 100 93 2.8-3.9 3.0/6377=41...(10) HB2 PRO 86 - H GLU 88 far 0 69 0 - 6.0-6.3 HG2 GLU 104 - H GLU 88 far 0 99 0 - 8.5-20.3 Violated in 0 structures by 0.00 A. Peak 6380 from nnoeabs.peaks (2.27, 7.57, 119.96 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 23 + H LYS 24 OK 100 100 100 100 2.5-5.1 1016/6377=77...(14) HG2 GLU 17 - H GLU 88 far 0 83 0 - 7.6-10.0 HG2 GLU 95 - H GLU 88 far 0 100 0 - 9.5-11.6 HD3 ARG 81 - H GLU 88 far 0 61 0 - 9.7-12.8 Violated in 19 structures by 0.15 A. Peak 6381 from nnoeabs.peaks (2.49, 7.57, 119.96 ppm; 3.22 A): 3 out of 6 assignments used, quality = 0.99: HB2 ASP 87 + H GLU 88 OK 89 99 100 89 2.2-3.9 3856=35, 4.0/7386=34...(19) HB3 ASP 87 + H GLU 88 OK 88 99 100 89 2.9-3.9 3856=35, 4.0/7386=34...(18) * HG3 GLU 23 + H LYS 24 OK 33 100 35 94 2.8-4.9 1042/6369=37...(14) HD2 ARG 91 - H GLU 88 poor 20 100 20 - 4.5-6.8 HG3 GLU 98 - H LYS 24 far 0 95 0 - 9.6-11.5 HG3 GLU 95 - H GLU 88 far 0 67 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 6382 from nnoeabs.peaks (4.10, 7.57, 119.96 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 24 + H LYS 24 OK 100 100 100 100 2.8-2.9 3.0=100 HA PRO 86 + H GLU 88 OK 65 98 75 88 4.6-4.8 3.5/7386=39...(15) Violated in 0 structures by 0.00 A. Peak 6383 from nnoeabs.peaks (1.96, 7.57, 119.96 ppm; 2.76 A): 3 out of 7 assignments used, quality = 1.00: HB3 LYS 24 + H LYS 24 OK 95 100 100 95 2.1-2.5 1073=39, 1.8/1061=29...(26) * HB2 LYS 24 + H LYS 24 OK 95 100 100 95 2.6-3.4 1073=39, 1.8/1061=29...(26) HG3 GLU 88 + H GLU 88 OK 76 92 90 92 2.6-4.6 1.8/3886=35, 3.0/7393=34...(15) HB3 LYS 20 - H LYS 24 far 0 81 0 - 4.8-5.3 HB3 ARG 19 - H LYS 24 far 0 71 0 - 6.9-8.3 HB2 GLU 17 - H GLU 88 far 0 90 0 - 7.0-9.0 HB2 GLU 17 - H LYS 24 far 0 91 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 6384 from nnoeabs.peaks (1.96, 7.57, 119.96 ppm; 2.76 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 24 + H LYS 24 OK 95 100 100 95 2.1-2.5 1073=39, 1.8/1061=29...(26) HB2 LYS 24 + H LYS 24 OK 95 100 100 95 2.6-3.4 1073=39, 1.8/1061=29...(26) HG3 GLU 88 + H GLU 88 OK 76 92 90 92 2.6-4.6 1.8/3886=35, 3.0/7393=34...(15) HB3 LYS 20 - H LYS 24 far 0 81 0 - 4.8-5.3 HB3 ARG 19 - H LYS 24 far 0 71 0 - 6.9-8.3 HB2 GLU 17 - H GLU 88 far 0 90 0 - 7.0-9.0 HB2 GLU 17 - H LYS 24 far 0 91 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 6385 from nnoeabs.peaks (1.59, 7.57, 119.96 ppm; 3.86 A): 1 out of 12 assignments used, quality = 1.00: * HG2 LYS 24 + H LYS 24 OK 100 100 100 100 4.0-4.5 1084=72, ~1096=40...(31) HG LEU 27 - H LYS 24 far 15 98 15 - 5.3-6.4 HG3 LYS 90 - H GLU 88 far 10 100 10 - 4.4-7.7 HB3 LEU 29 - H LYS 24 far 0 99 0 - 6.6-7.6 HD3 LYS 94 - H LYS 24 far 0 98 0 - 6.6-10.0 HD2 LYS 94 - H LYS 24 far 0 61 0 - 7.2-9.0 HG2 ARG 19 - H LYS 24 far 0 100 0 - 7.4-9.1 HG3 LYS 90 - H LYS 24 far 0 100 0 - 8.4-11.1 HD2 LYS 94 - H GLU 88 far 0 61 0 - 8.5-13.8 HD3 LYS 94 - H GLU 88 far 0 97 0 - 8.5-12.8 HB3 GLU 28 - H LYS 24 far 0 88 0 - 9.1-10.5 HB2 LEU 3 - H LYS 24 far 0 71 0 - 9.6-11.2 Violated in 20 structures by 0.37 A. Peak 6386 from nnoeabs.peaks (1.51, 7.57, 119.96 ppm; 4.18 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 24 + H LYS 24 OK 100 100 100 100 3.5-4.7 1.8/6385=84, 1096/3.0=73...(26) HB2 ARG 91 + H GLU 88 OK 80 89 95 96 4.2-5.9 4024/3.0=53, 2.8/3441=23...(20) HB2 LEU 14 - H GLU 88 far 0 96 0 - 6.1-6.9 HG LEU 57 - H GLU 88 far 0 99 0 - 7.3-7.9 HG3 LYS 13 - H GLU 88 far 0 98 0 - 9.2-11.1 Violated in 1 structures by 0.02 A. Peak 6387 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.15 A): 3 out of 12 assignments used, quality = 1.00: HD3 LYS 24 + H LYS 24 OK 95 100 95 100 4.2-5.7 3.0/6385=66, 3.6/1061=35...(27) * HD2 LYS 24 + H LYS 24 OK 95 100 95 100 4.1-5.7 3.0/6385=66, 3.6/1061=35...(27) HD3 LYS 90 + H GLU 88 OK 59 100 75 79 4.7-7.0 7422/7398=37...(15) HB3 ARG 91 - H GLU 88 far 5 97 5 - 4.3-6.2 HG3 LYS 20 - H LYS 24 far 5 91 5 - 5.6-7.2 HG2 PRO 86 - H GLU 88 far 0 100 0 - 6.2-6.5 HD3 LYS 20 - H LYS 24 far 0 91 0 - 7.4-8.8 HD2 LYS 20 - H LYS 24 far 0 94 0 - 7.5-8.7 HD3 LYS 13 - H GLU 88 far 0 99 0 - 7.6-12.1 HD2 LYS 13 - H GLU 88 far 0 100 0 - 7.7-12.6 HD3 LYS 90 - H LYS 24 far 0 100 0 - 9.9-11.9 HD2 ARG 81 - H GLU 88 far 0 76 0 - 9.9-12.0 Violated in 11 structures by 0.06 A. Peak 6388 from nnoeabs.peaks (1.70, 7.57, 119.96 ppm; 4.15 A): 3 out of 12 assignments used, quality = 1.00: * HD3 LYS 24 + H LYS 24 OK 95 100 95 100 4.2-5.7 3.0/6385=66, 3.6/1061=35...(27) HD2 LYS 24 + H LYS 24 OK 95 100 95 100 4.1-5.7 3.0/6385=66, 3.6/1061=35...(27) HD3 LYS 90 + H GLU 88 OK 59 100 75 79 4.7-7.0 7422/7398=37...(15) HB3 ARG 91 - H GLU 88 far 5 96 5 - 4.3-6.2 HG3 LYS 20 - H LYS 24 far 4 90 5 - 5.6-7.2 HG2 PRO 86 - H GLU 88 far 0 100 0 - 6.2-6.5 HD3 LYS 20 - H LYS 24 far 0 90 0 - 7.4-8.8 HD2 LYS 20 - H LYS 24 far 0 93 0 - 7.5-8.7 HD3 LYS 13 - H GLU 88 far 0 99 0 - 7.6-12.1 HD2 LYS 13 - H GLU 88 far 0 100 0 - 7.7-12.6 HD3 LYS 90 - H LYS 24 far 0 100 0 - 9.9-11.9 HD2 ARG 81 - H GLU 88 far 0 78 0 - 9.9-12.0 Violated in 11 structures by 0.06 A. Peak 6389 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 5.65 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 24 + H LYS 24 OK 100 100 100 100 5.0-6.6 3.7/6385=88, 3.7/6386=46...(19) HE3 LYS 24 + H LYS 24 OK 100 100 100 100 5.0-6.9 3.7/6385=88, 3.7/6386=46...(17) HG2 MET 21 + H LYS 24 OK 80 90 90 99 5.1-7.2 3.9/956=79, 3.4/8538=73...(10) HE3 LYS 90 + H GLU 88 OK 51 83 80 77 5.3-8.1 7.0/7398=39, 9906/3.6=36...(9) HE2 LYS 13 - H GLU 88 far 0 100 0 - 7.5-10.7 HE3 LYS 13 - H GLU 88 far 0 100 0 - 8.3-12.1 HG2 MET 21 - H GLU 88 far 0 89 0 - 8.5-10.6 HB3 ASP 11 - H GLU 88 far 0 72 0 - 9.3-10.4 HB2 SER 9 - H GLU 88 far 0 78 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6390 from nnoeabs.peaks (2.96, 7.57, 119.96 ppm; 5.65 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 24 + H LYS 24 OK 100 100 100 100 5.0-6.6 3.7/6385=88, 3.7/6386=46...(19) * HE3 LYS 24 + H LYS 24 OK 100 100 100 100 5.0-6.9 3.7/6385=88, 3.7/6386=46...(17) HG2 MET 21 + H LYS 24 OK 80 90 90 99 5.1-7.2 3.9/956=79, 3.4/8538=73...(10) HE3 LYS 90 + H GLU 88 OK 51 83 80 77 5.3-8.1 7.0/7398=39, 9906/3.6=36...(9) HE2 LYS 13 - H GLU 88 far 0 100 0 - 7.5-10.7 HE3 LYS 13 - H GLU 88 far 0 100 0 - 8.3-12.1 HG2 MET 21 - H GLU 88 far 0 89 0 - 8.5-10.6 HB3 ASP 11 - H GLU 88 far 0 72 0 - 9.3-10.4 HB2 SER 9 - H GLU 88 far 0 78 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 6391 from nnoeabs.peaks (7.71, 7.57, 119.96 ppm; 3.26 A): 3 out of 3 assignments used, quality = 1.00: * H ALA 25 + H LYS 24 OK 100 100 100 100 2.3-2.6 6397=100, 6396/6377=36...(24) H SER 85 + H GLU 88 OK 85 89 100 96 4.0-4.5 10297/7393=31...(17) H MET 21 + H LYS 24 OK 54 84 80 80 4.5-4.8 3.0/956=33, 3.6/6372=23...(13) Violated in 0 structures by 0.00 A. Peak 6392 from nnoeabs.peaks (7.71, 7.71, 119.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 25 + H ALA 25 OK 100 100 - 100 Peak 6393 from nnoeabs.peaks (4.41, 7.71, 119.26 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: HA ALA 25 + H ALA 25 OK 100 100 100 100 2.8-2.9 3.0=100 * HA MET 21 + H ALA 25 OK 81 100 95 86 3.9-4.7 956/6397=29, 948=23...(21) Violated in 0 structures by 0.00 A. Peak 6394 from nnoeabs.peaks (3.83, 7.71, 119.26 ppm; 3.92 A): 1 out of 4 assignments used, quality = 0.99: * HA ALA 22 + H ALA 25 OK 99 100 100 99 3.1-3.6 8638/10489=43, 1005=41...(19) HA LYS 94 - H ALA 25 far 0 59 0 - 5.7-7.0 HA SER 97 - H ALA 25 far 0 99 0 - 7.1-9.0 HA ARG 19 - H ALA 25 far 0 95 0 - 7.5-8.3 Violated in 0 structures by 0.00 A. Peak 6395 from nnoeabs.peaks (8.28, 7.71, 119.26 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 23 + H ALA 25 OK 99 100 100 99 3.7-4.2 6369/6397=63...(19) H LEU 27 + H ALA 25 OK 67 68 100 99 3.3-3.8 10489=47, 4.6/6409=47...(15) H LYS 94 - H ALA 25 far 0 98 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 6396 from nnoeabs.peaks (4.15, 7.71, 119.26 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.98: * HA GLU 23 + H ALA 25 OK 98 100 100 98 4.0-4.5 6377/6397=62...(12) Violated in 20 structures by 0.33 A. Peak 6397 from nnoeabs.peaks (7.57, 7.71, 119.26 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.98: * H LYS 24 + H ALA 25 OK 98 100 100 98 2.3-2.6 6391=39, 6377/6396=34...(24) Violated in 0 structures by 0.00 A. Peak 6398 from nnoeabs.peaks (4.10, 7.71, 119.26 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 24 + H ALA 25 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6399 from nnoeabs.peaks (1.96, 7.71, 119.26 ppm; 3.14 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 24 + H ALA 25 OK 96 100 100 96 3.9-4.3 4.4=37, 4.0/6397=34...(22) HB3 LYS 24 + H ALA 25 OK 96 100 100 96 2.7-3.3 4.4=37, 4.0/6397=34...(22) HB3 LYS 20 - H ALA 25 far 0 81 0 - 6.7-7.5 HB3 ARG 19 - H ALA 25 far 0 71 0 - 8.7-9.9 Violated in 1 structures by 0.00 A. Peak 6400 from nnoeabs.peaks (1.96, 7.71, 119.26 ppm; 3.14 A): 2 out of 4 assignments used, quality = 1.00: HB2 LYS 24 + H ALA 25 OK 96 100 100 96 3.9-4.3 4.4=37, 4.0/6397=34...(22) * HB3 LYS 24 + H ALA 25 OK 96 100 100 96 2.7-3.3 4.4=37, 4.0/6397=34...(22) HB3 LYS 20 - H ALA 25 far 0 81 0 - 6.7-7.5 HB3 ARG 19 - H ALA 25 far 0 71 0 - 8.7-9.9 Violated in 1 structures by 0.00 A. Peak 6401 from nnoeabs.peaks (1.59, 7.71, 119.26 ppm; 4.25 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 24 + H ALA 25 OK 100 100 100 100 3.5-4.6 6385/6397=66...(20) HG LEU 27 + H ALA 25 OK 96 98 100 98 3.6-4.4 6442/10489=55...(17) HD2 LYS 94 - H ALA 25 far 6 61 10 - 5.5-8.5 HD3 LYS 94 - H ALA 25 far 5 98 5 - 5.1-9.4 HB3 LEU 29 - H ALA 25 far 0 99 0 - 7.0-8.3 HB2 LEU 3 - H ALA 25 far 0 71 0 - 7.8-9.4 HG3 LYS 90 - H ALA 25 far 0 100 0 - 8.9-11.7 HG2 ARG 19 - H ALA 25 far 0 100 0 - 9.3-10.9 HB3 GLU 28 - H ALA 25 far 0 88 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6402 from nnoeabs.peaks (1.51, 7.71, 119.26 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 24 + H ALA 25 OK 100 100 100 100 2.7-5.2 1096/3.6=82, 5.1/6397=63...(20) Violated in 5 structures by 0.03 A. Peak 6403 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 24 + H ALA 25 OK 100 100 100 100 3.2-5.8 3.0/6402=65, 3.6/6400=43...(17) * HD2 LYS 24 + H ALA 25 OK 100 100 100 100 3.2-5.9 3.0/6402=65, 3.6/6400=43...(17) HG3 LYS 20 - H ALA 25 far 0 91 0 - 7.4-9.5 HD3 LYS 20 - H ALA 25 far 0 91 0 - 9.3-10.8 HD2 LYS 20 - H ALA 25 far 0 94 0 - 9.5-10.9 Violated in 5 structures by 0.05 A. Peak 6404 from nnoeabs.peaks (1.70, 7.71, 119.26 ppm; 4.87 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 24 + H ALA 25 OK 100 100 100 100 3.2-5.8 3.0/6402=65, 3.6/6400=43...(17) HD2 LYS 24 + H ALA 25 OK 100 100 100 100 3.2-5.9 3.0/6402=65, 3.6/6400=43...(17) HG3 LYS 20 - H ALA 25 far 0 90 0 - 7.4-9.5 HD3 LYS 20 - H ALA 25 far 0 90 0 - 9.3-10.8 HD2 LYS 20 - H ALA 25 far 0 93 0 - 9.5-10.9 Violated in 5 structures by 0.05 A. Peak 6407 from nnoeabs.peaks (4.41, 7.71, 119.26 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 25 + H ALA 25 OK 100 100 100 100 2.8-2.9 3.0=100 HA MET 21 + H ALA 25 OK 81 100 95 86 3.9-4.7 956/6397=29, 948=23...(21) Violated in 0 structures by 0.00 A. Peak 6408 from nnoeabs.peaks (1.34, 7.71, 119.26 ppm; 2.79 A): 1 out of 4 assignments used, quality = 0.97: * QB ALA 25 + H ALA 25 OK 97 100 100 97 2.1-2.3 2.9=86, 6413/6409=32...(18) HB3 LEU 27 - H ALA 25 far 0 100 0 - 6.0-6.9 HG2 LYS 94 - H ALA 25 far 0 100 0 - 7.6-10.0 QB ALA 89 - H ALA 25 far 0 100 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 6409 from nnoeabs.peaks (7.84, 7.71, 119.26 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + H ALA 25 OK 100 100 100 100 2.3-2.6 6411=95, 6412/3.0=45...(21) H LEU 3 - H ALA 25 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 6410 from nnoeabs.peaks (7.84, 7.84, 115.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 26 + H ASN 26 OK 100 100 - 100 Peak 6411 from nnoeabs.peaks (7.71, 7.84, 115.27 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 25 + H ASN 26 OK 100 100 100 100 2.3-2.6 6409=100, 3.0/6412=46...(21) H MET 21 - H ASN 26 far 0 84 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 6412 from nnoeabs.peaks (4.41, 7.84, 115.27 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.99: * HA ALA 25 + H ASN 26 OK 99 100 100 99 3.2-3.6 3.6=82, 2.1/6413=59...(19) HA MET 21 - H ASN 26 far 0 100 0 - 6.4-7.1 Violated in 2 structures by 0.01 A. Peak 6413 from nnoeabs.peaks (1.34, 7.84, 115.27 ppm; 3.59 A): 1 out of 4 assignments used, quality = 1.00: * QB ALA 25 + H ASN 26 OK 100 100 100 100 2.1-3.5 3.6=96, 2.1/6412=73...(23) HB3 LEU 27 - H ASN 26 far 5 100 5 - 4.9-6.1 HG2 LYS 94 - H ASN 26 far 0 100 0 - 9.0-12.0 HB3 LEU 2 - H ASN 26 far 0 100 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 6414 from nnoeabs.peaks (4.36, 7.84, 115.27 ppm; 2.65 A): 1 out of 1 assignment used, quality = 0.94: * HA ASN 26 + H ASN 26 OK 94 100 100 94 2.3-2.7 3.0=73, 6434/6419=34...(11) Violated in 1 structures by 0.00 A. Peak 6415 from nnoeabs.peaks (2.74, 7.84, 115.27 ppm; 3.59 A): 1 out of 1 assignment used, quality = 0.99: * HB2 ASN 26 + H ASN 26 OK 99 100 100 99 3.2-3.3 3.8=85, 3.0/6414=71...(7) Violated in 0 structures by 0.00 A. Peak 6416 from nnoeabs.peaks (3.07, 7.84, 115.27 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 26 + H ASN 26 OK 100 100 100 100 3.8-3.9 3.8=93, 1.8/6415=77...(7) HB2 PHE 96 - H ASN 26 far 0 73 0 - 8.7-10.4 Violated in 20 structures by 0.20 A. Peak 6418 from nnoeabs.peaks (7.47, 7.84, 115.27 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 26 + H ASN 26 OK 100 100 100 100 3.6-3.9 5.5=100 HE ARG 19 - H ASN 26 far 0 96 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 6419 from nnoeabs.peaks (8.24, 7.84, 115.27 ppm; 3.11 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 27 + H ASN 26 OK 100 100 100 100 1.8-2.5 6433=98, 6434/6414=55...(17) H GLU 23 - H ASN 26 far 0 68 0 - 4.8-5.3 H SER 97 - H ASN 26 far 0 85 0 - 7.2-9.3 H LYS 94 - H ASN 26 far 0 88 0 - 8.0-10.3 H PHE 96 - H ASN 26 far 0 79 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 6420 from nnoeabs.peaks (6.75, 6.75, 112.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HD21 ASN 26 OK 100 100 - 100 Peak 6421 from nnoeabs.peaks (7.84, 6.75, 112.34 ppm; 5.80 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HD21 ASN 26 OK 100 100 100 100 5.2-5.5 5.5=100 H LEU 3 - HD21 ASN 26 far 0 100 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 6422 from nnoeabs.peaks (4.36, 6.75, 112.34 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 26 + HD21 ASN 26 OK 100 100 100 100 3.2-3.3 4.4=100 Violated in 0 structures by 0.00 A. Peak 6423 from nnoeabs.peaks (2.74, 6.75, 112.34 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + HD21 ASN 26 OK 100 100 100 100 3.6-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 6424 from nnoeabs.peaks (3.07, 6.75, 112.34 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 26 + HD21 ASN 26 OK 100 100 100 100 4.1-4.1 3.5=100 Violated in 20 structures by 0.01 A. Peak 6425 from nnoeabs.peaks (7.47, 6.75, 112.34 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 26 + HD21 ASN 26 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6426 from nnoeabs.peaks (7.47, 7.47, 112.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 26 + HD22 ASN 26 OK 100 100 - 100 Peak 6427 from nnoeabs.peaks (7.84, 7.47, 112.34 ppm; 6.31 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HD22 ASN 26 OK 100 100 100 100 3.6-3.9 5.5=100 H LEU 3 - HD22 ASN 26 far 0 100 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 6428 from nnoeabs.peaks (4.36, 7.47, 112.34 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 26 + HD22 ASN 26 OK 100 100 100 100 2.0-2.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 6429 from nnoeabs.peaks (2.74, 7.47, 112.34 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + HD22 ASN 26 OK 100 100 100 100 2.6-2.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 6430 from nnoeabs.peaks (3.07, 7.47, 112.34 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 26 + HD22 ASN 26 OK 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 6431 from nnoeabs.peaks (6.75, 7.47, 112.34 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HD22 ASN 26 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6432 from nnoeabs.peaks (8.24, 8.24, 116.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 27 + H LEU 27 OK 100 100 - 100 Peak 6433 from nnoeabs.peaks (7.84, 8.24, 116.83 ppm; 3.13 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + H LEU 27 OK 100 100 100 100 1.8-2.5 6419=100, 6414/6434=56...(17) H LEU 3 - H LEU 27 far 0 100 0 - 6.3-7.7 Violated in 0 structures by 0.00 A. Peak 6434 from nnoeabs.peaks (4.36, 8.24, 116.83 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.96: * HA ASN 26 + H LEU 27 OK 96 100 100 96 2.7-3.0 1165=64, 6414/6419=51...(11) Violated in 0 structures by 0.00 A. Peak 6435 from nnoeabs.peaks (2.74, 8.24, 116.83 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + H LEU 27 OK 100 100 100 100 4.4-4.6 3.0/6434=85, 1172=83...(7) Violated in 19 structures by 0.11 A. Peak 6436 from nnoeabs.peaks (3.07, 8.24, 116.83 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 26 + H LEU 27 OK 100 100 100 100 4.0-4.3 1179=91, 3.0/6434=83...(8) HB2 PHE 96 - H LEU 27 far 0 73 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 6439 from nnoeabs.peaks (4.65, 8.24, 116.83 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 27 + H LEU 27 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6440 from nnoeabs.peaks (1.46, 8.24, 116.83 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 27 + H LEU 27 OK 98 100 100 98 2.6-3.3 4.0=49, 3.0/6442=48...(18) QB ALA 22 + H LEU 27 OK 82 90 100 91 3.2-4.1 2.1/8638=45, 4.5/8637=25...(15) HG LEU 29 - H LEU 27 far 0 90 0 - 8.3-9.8 HG2 LYS 20 - H LEU 27 far 0 100 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 6441 from nnoeabs.peaks (1.34, 8.24, 116.83 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 27 + H LEU 27 OK 99 100 100 99 3.7-3.9 4.0=58, 3.0/6442=53...(17) QB ALA 25 + H LEU 27 OK 97 100 100 98 3.2-3.9 6413/6419=46...(17) HB3 LEU 2 - H LEU 27 far 0 99 0 - 7.6-9.9 HG3 LYS 94 - H LEU 27 far 0 63 0 - 9.0-11.7 Violated in 3 structures by 0.01 A. Peak 6442 from nnoeabs.peaks (1.60, 8.24, 116.83 ppm; 3.28 A): 1 out of 7 assignments used, quality = 0.98: * HG LEU 27 + H LEU 27 OK 98 100 100 98 2.2-2.7 1204=53, 1184/3.0=40...(17) HB3 LEU 29 - H LEU 27 far 0 100 0 - 6.3-7.4 HG2 LYS 24 - H LEU 27 far 0 98 0 - 6.8-7.9 HB3 GLU 28 - H LEU 27 far 0 68 0 - 6.9-7.2 HD3 LYS 94 - H LEU 27 far 0 100 0 - 7.9-11.9 HD2 LYS 94 - H LEU 27 far 0 84 0 - 7.9-11.3 HG2 ARG 19 - H LEU 27 far 0 98 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 6443 from nnoeabs.peaks (0.73, 8.24, 116.83 ppm; 3.72 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 27 + H LEU 27 OK 100 100 100 100 3.1-3.8 2.1/6442=78, 1213/3.0=62...(20) QD1 LEU 27 + H LEU 27 OK 59 59 100 100 3.5-4.0 2.1/6442=78, 4.7=51...(20) QG2 ILE 93 + H LEU 27 OK 24 91 35 76 5.0-6.0 10028/8638=20...(13) QG1 VAL 5 - H LEU 27 far 0 100 0 - 6.9-7.9 HG13 ILE 93 - H LEU 27 far 0 97 0 - 7.6-10.1 QG1 VAL 54 - H LEU 27 far 0 73 0 - 8.9-10.1 QD1 ILE 52 - H LEU 27 far 0 68 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 6444 from nnoeabs.peaks (0.77, 8.24, 116.83 ppm; 3.78 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 27 + H LEU 27 OK 100 100 100 100 3.5-4.0 2.1/6442=80, 4.7=53...(22) QD2 LEU 27 + H LEU 27 OK 59 59 100 100 3.1-3.8 2.1/6442=80, 4.7=53...(20) QG2 ILE 93 + H LEU 27 OK 39 94 50 82 5.0-6.0 10028/8638=22...(14) QD1 ILE 93 - H LEU 27 far 0 100 0 - 7.0-8.1 HG13 ILE 93 - H LEU 27 far 0 85 0 - 7.6-10.1 QG1 VAL 54 - H LEU 27 far 0 100 0 - 8.9-10.1 QD1 LEU 6 - H LEU 27 far 0 100 0 - 9.0-12.0 QD2 LEU 57 - H LEU 27 far 0 82 0 - 9.5-11.0 QG2 ILE 52 - H LEU 27 far 0 99 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 6445 from nnoeabs.peaks (7.80, 8.24, 116.83 ppm; 3.58 A): 1 out of 3 assignments used, quality = 0.97: * H GLU 28 + H LEU 27 OK 97 100 100 97 4.4-4.4 1187/3.0=65, 4.6=46...(10) H LYS 20 - H LEU 27 far 0 100 0 - 9.2-9.5 HE ARG 30 - H LEU 27 far 0 99 0 - 9.7-13.5 Violated in 20 structures by 0.82 A. Peak 6446 from nnoeabs.peaks (7.80, 7.80, 121.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 28 + H GLU 28 OK 100 100 - 100 Peak 6447 from nnoeabs.peaks (8.24, 7.80, 121.34 ppm; 5.29 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 27 + H GLU 28 OK 100 100 100 100 4.4-4.4 4.6=100 H GLU 23 + H GLU 28 OK 43 68 90 70 5.9-7.0 3.6/6449=38...(8) H SER 97 - H GLU 28 far 0 85 0 - 8.8-9.8 H PHE 96 - H GLU 28 far 0 79 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 6448 from nnoeabs.peaks (4.65, 7.80, 121.34 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + H GLU 28 OK 100 100 100 100 2.6-2.7 1187=100, 3.0/6445=45...(11) HA LEU 55 - H GLU 28 far 0 94 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 6449 from nnoeabs.peaks (1.46, 7.80, 121.34 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 27 + H GLU 28 OK 100 100 100 100 2.4-3.1 1195=92, 1.8/6450=77...(16) QB ALA 22 + H GLU 28 OK 87 90 100 97 3.2-3.9 10452/3.0=33...(20) HG LEU 29 - H GLU 28 far 0 90 0 - 7.0-7.6 HG13 ILE 52 - H GLU 28 far 0 100 0 - 7.6-12.2 HG2 LYS 53 - H GLU 28 far 0 100 0 - 9.3-11.3 HG3 LYS 53 - H GLU 28 far 0 99 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 6450 from nnoeabs.peaks (1.34, 7.80, 121.34 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 27 + H GLU 28 OK 100 100 100 100 2.0-2.6 1203=92, 3.0/1187=74...(15) QB ALA 25 - H GLU 28 far 0 100 0 - 5.9-6.7 HB3 LEU 2 - H GLU 28 far 0 99 0 - 6.3-8.5 HB3 ARG 30 - H GLU 28 far 0 82 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 6451 from nnoeabs.peaks (1.60, 7.80, 121.34 ppm; 4.03 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 27 + H GLU 28 OK 100 100 100 100 4.6-4.8 2.1/1219=68...(11) HB3 LEU 29 + H GLU 28 OK 72 100 80 90 5.1-6.0 8676/3.0=35, ~8662=31...(13) HB3 GLU 28 + H GLU 28 OK 67 68 100 100 3.5-3.7 4.0=100 HB2 ARG 30 - H GLU 28 far 0 100 0 - 7.4-9.1 HG2 ARG 19 - H GLU 28 far 0 98 0 - 7.4-11.2 Violated in 0 structures by 0.00 A. Peak 6452 from nnoeabs.peaks (0.73, 7.80, 121.34 ppm; 4.23 A): 3 out of 11 assignments used, quality = 1.00: * QD2 LEU 27 + H GLU 28 OK 100 100 100 100 3.5-4.3 1219=100, 1213/1187=75...(14) QD1 LEU 27 + H GLU 28 OK 59 59 100 100 4.1-4.2 4.7=75, 2.1/1219=74...(13) QG1 VAL 5 + H GLU 28 OK 24 100 30 82 5.5-6.2 2.1/8168=49, 4.0/8163=42...(9) QG2 ILE 93 - H GLU 28 poor 18 91 20 - 5.5-6.5 QG1 VAL 54 - H GLU 28 far 7 73 10 - 5.3-6.8 QD1 ILE 52 - H GLU 28 far 0 68 0 - 6.7-9.6 HG13 ILE 93 - H GLU 28 far 0 97 0 - 7.0-9.6 QD1 ILE 56 - H GLU 28 far 0 90 0 - 7.8-10.3 QD2 LEU 42 - H GLU 28 far 0 63 0 - 8.6-10.1 QG1 VAL 78 - H GLU 28 far 0 96 0 - 9.6-10.4 HG13 ILE 56 - H GLU 28 far 0 96 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 6453 from nnoeabs.peaks (0.77, 7.80, 121.34 ppm; 4.54 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 27 + H GLU 28 OK 100 100 100 100 4.1-4.2 1227=100, 2.1/1219=83...(14) QD2 LEU 27 + H GLU 28 OK 59 59 100 100 3.5-4.3 4.7=93, 2.1/1227=74...(13) QG2 ILE 93 + H GLU 28 OK 47 94 65 77 5.5-6.5 10322/8168=40...(9) QG1 VAL 54 - H GLU 28 poor 10 100 25 42 5.3-6.8 2500/8655=17...(5) QD1 LEU 6 - H GLU 28 far 5 100 5 - 5.8-8.7 QD1 ILE 93 - H GLU 28 far 0 100 0 - 6.8-8.1 HG13 ILE 93 - H GLU 28 far 0 85 0 - 7.0-9.6 QG2 ILE 52 - H GLU 28 far 0 99 0 - 7.7-9.9 QD2 LEU 57 - H GLU 28 far 0 82 0 - 7.9-9.2 QD2 LEU 42 - H GLU 28 far 0 100 0 - 8.6-10.1 QG1 VAL 78 - H GLU 28 far 0 88 0 - 9.6-10.4 QG2 ILE 7 - H GLU 28 far 0 77 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 6454 from nnoeabs.peaks (4.31, 7.80, 121.34 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + H GLU 28 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6455 from nnoeabs.peaks (1.74, 7.80, 121.34 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 28 + H GLU 28 OK 100 100 100 100 2.5-2.7 1235=100, 1.8/1242=78...(10) HG3 ARG 19 - H GLU 28 far 0 94 0 - 7.6-10.5 Violated in 0 structures by 0.00 A. Peak 6456 from nnoeabs.peaks (1.56, 7.80, 121.34 ppm; 3.62 A): 2 out of 8 assignments used, quality = 1.00: * HB3 GLU 28 + H GLU 28 OK 99 100 100 99 3.5-3.7 1242=90, 1.8/1235=68...(11) HG LEU 27 + H GLU 28 OK 66 68 100 98 4.6-4.8 2.1/1219=55, 3.0/6450=51...(10) HB2 LEU 3 - H GLU 28 far 15 99 15 - 4.8-5.9 HB3 LEU 29 - H GLU 28 far 11 71 15 - 5.1-6.0 HG3 ARG 30 - H GLU 28 far 0 71 0 - 6.0-7.6 HG LEU 6 - H GLU 28 far 0 61 0 - 7.3-9.3 HG2 ARG 19 - H GLU 28 far 0 90 0 - 7.4-11.2 HG12 ILE 56 - H GLU 28 far 0 73 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 6457 from nnoeabs.peaks (2.06, 7.80, 121.34 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 28 + H GLU 28 OK 98 100 100 98 4.1-4.9 3.0/1242=65, 3.0/1235=64...(10) HG3 GLU 28 + H GLU 28 OK 98 100 100 98 3.5-4.3 3.0/1242=65, 3.0/1235=64...(10) HG12 ILE 93 - H GLU 28 far 0 84 0 - 6.7-9.6 HB2 GLU 23 - H GLU 28 far 0 88 0 - 7.1-8.6 QE MET 21 - H GLU 28 far 0 68 0 - 7.4-9.3 HB2 MET 21 - H GLU 28 far 0 98 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 6458 from nnoeabs.peaks (2.06, 7.80, 121.34 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 28 + H GLU 28 OK 98 100 100 98 4.1-4.9 3.0/1242=65, 3.0/1235=64...(10) * HG3 GLU 28 + H GLU 28 OK 98 100 100 98 3.5-4.3 3.0/1242=65, 3.0/1235=64...(10) HG12 ILE 93 - H GLU 28 far 0 84 0 - 6.7-9.6 HB2 GLU 23 - H GLU 28 far 0 88 0 - 7.1-8.6 QE MET 21 - H GLU 28 far 0 68 0 - 7.4-9.3 HB2 MET 21 - H GLU 28 far 0 98 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 6459 from nnoeabs.peaks (8.45, 7.80, 121.34 ppm; 4.95 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 29 + H GLU 28 OK 100 100 100 100 3.6-4.3 4.5=100 H LYS 53 - H GLU 28 far 0 96 0 - 7.2-8.9 H VAL 54 - H GLU 28 far 0 59 0 - 8.5-9.5 H ILE 7 - H GLU 28 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 6460 from nnoeabs.peaks (8.45, 8.45, 126.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 29 + H LEU 29 OK 100 100 - 100 Peak 6461 from nnoeabs.peaks (7.80, 8.45, 126.55 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + H LEU 29 OK 100 100 100 100 3.6-4.3 4.5=100 HE ARG 30 - H LEU 29 far 10 99 10 - 4.6-8.6 H LYS 20 - H LEU 29 far 0 100 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 6462 from nnoeabs.peaks (4.31, 8.45, 126.55 ppm; 2.85 A): 1 out of 1 assignment used, quality = 0.97: * HA GLU 28 + H LEU 29 OK 97 100 100 97 2.1-2.3 1234=87, 3.0/6463=28...(12) Violated in 0 structures by 0.00 A. Peak 6463 from nnoeabs.peaks (1.74, 8.45, 126.55 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 28 + H LEU 29 OK 100 100 100 100 4.3-4.6 3.0/6462=82, 4.6=69...(12) HG3 ARG 19 - H LEU 29 poor 19 94 20 - 3.9-6.8 Violated in 20 structures by 0.48 A. Peak 6464 from nnoeabs.peaks (1.56, 8.45, 126.55 ppm; 3.47 A): 4 out of 8 assignments used, quality = 1.00: * HB3 GLU 28 + H LEU 29 OK 98 100 100 98 3.4-4.1 3.0/6462=64, 1.8/6463=55...(12) HB3 LEU 29 + H LEU 29 OK 70 71 100 98 2.2-3.0 1.8/6468=66, 4.0=64...(19) HG2 ARG 19 + H LEU 29 OK 32 90 60 59 3.8-7.7 1274/6468=14...(10) HG3 ARG 30 + H LEU 29 OK 29 71 100 41 4.4-4.9 1.8/8665=21, 4.9/6475=14...(7) HG LEU 27 - H LEU 29 far 0 68 0 - 6.0-7.5 HG LEU 6 - H LEU 29 far 0 61 0 - 7.7-9.2 HB2 LEU 3 - H LEU 29 far 0 99 0 - 8.2-9.6 HG3 LYS 90 - H LEU 29 far 0 91 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 6465 from nnoeabs.peaks (2.06, 8.45, 126.55 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 28 + H LEU 29 OK 99 100 100 99 4.1-5.4 3.7/6462=70, 3.0/6463=61...(10) HG3 GLU 28 + H LEU 29 OK 99 100 100 99 4.3-5.4 3.7/6462=70, 3.0/6463=61...(10) HB2 GLU 23 - H LEU 29 far 4 88 5 - 5.5-6.6 HG12 ILE 93 - H LEU 29 far 0 84 0 - 6.0-8.8 QE MET 21 - H LEU 29 far 0 68 0 - 7.0-8.5 HB2 MET 21 - H LEU 29 far 0 98 0 - 7.2-9.0 Violated in 13 structures by 0.05 A. Peak 6466 from nnoeabs.peaks (2.06, 8.45, 126.55 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 28 + H LEU 29 OK 99 100 100 99 4.1-5.4 3.7/6462=70, 3.0/6463=61...(10) * HG3 GLU 28 + H LEU 29 OK 99 100 100 99 4.3-5.4 3.7/6462=70, 3.0/6463=61...(10) HB2 GLU 23 - H LEU 29 far 4 88 5 - 5.5-6.6 HG12 ILE 93 - H LEU 29 far 0 84 0 - 6.0-8.8 QE MET 21 - H LEU 29 far 0 68 0 - 7.0-8.5 HB2 MET 21 - H LEU 29 far 0 98 0 - 7.2-9.0 Violated in 13 structures by 0.05 A. Peak 6467 from nnoeabs.peaks (5.66, 8.45, 126.55 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + H LEU 29 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6468 from nnoeabs.peaks (1.16, 8.45, 126.55 ppm; 3.69 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LEU 29 + H LEU 29 OK 99 100 100 99 2.2-2.9 4.0=77, 1.8/6469=39...(20) QG2 THR 31 - H LEU 29 far 0 93 0 - 7.0-8.0 HB3 LEU 3 - H LEU 29 far 0 99 0 - 8.1-10.2 HB2 LEU 6 - H LEU 29 far 0 92 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 6469 from nnoeabs.peaks (1.60, 8.45, 126.55 ppm; 3.39 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LEU 29 + H LEU 29 OK 98 100 100 98 2.2-3.0 1.8/6468=63, 4.0=60...(20) HB3 GLU 28 + H LEU 29 OK 69 71 100 97 3.4-4.1 3.0/6462=62, 1.8/6463=52...(11) HG2 ARG 19 + H LEU 29 OK 36 99 55 67 3.8-7.7 1274/6468=18...(11) HB2 ARG 30 - H LEU 29 far 0 100 0 - 5.6-7.2 HG LEU 27 - H LEU 29 far 0 100 0 - 6.0-7.5 HG3 LYS 90 - H LEU 29 far 0 98 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 6470 from nnoeabs.peaks (1.44, 8.45, 126.55 ppm; 3.84 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 29 + H LEU 29 OK 99 100 100 99 4.2-4.8 3.0/6468=60, 5.0=44...(18) QB ALA 22 + H LEU 29 OK 98 100 100 98 2.2-2.9 8586=54, 8577/6468=46...(23) HB2 LEU 27 + H LEU 29 OK 69 90 100 77 3.9-5.2 1195/4.5=32...(13) HG2 LYS 20 - H LEU 29 far 0 90 0 - 8.2-8.9 HG12 ILE 7 - H LEU 29 far 0 99 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 6471 from nnoeabs.peaks (0.64, 8.45, 126.55 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 29 + H LEU 29 OK 100 100 100 100 3.8-4.2 3.1/6468=61, 1296/2.9=59...(19) QD1 LEU 29 + H LEU 29 OK 98 99 100 100 3.8-4.3 3.1/6468=61, 1304/2.9=58...(19) QD1 ILE 7 - H LEU 29 far 0 90 0 - 6.5-7.8 QG2 VAL 54 - H LEU 29 far 0 98 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 6472 from nnoeabs.peaks (0.65, 8.45, 126.55 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 29 + H LEU 29 OK 100 100 100 100 3.8-4.3 3.1/6468=61, 1304/2.9=59...(19) QD2 LEU 29 + H LEU 29 OK 98 99 100 100 3.8-4.2 3.1/6468=61, 1296/2.9=58...(19) QD2 LEU 6 - H LEU 29 poor 12 71 30 56 5.2-7.7 10232/4.6=23, 224=12...(8) QD1 ILE 7 - H LEU 29 far 0 71 0 - 6.5-7.8 QG2 VAL 54 - H LEU 29 far 0 100 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 6473 from nnoeabs.peaks (9.09, 8.45, 126.55 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H LEU 29 OK 100 100 100 100 4.5-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 6474 from nnoeabs.peaks (9.09, 9.09, 125.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H ARG 30 OK 100 100 - 100 Peak 6475 from nnoeabs.peaks (8.45, 9.09, 125.04 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 29 + H ARG 30 OK 100 100 100 100 4.5-4.6 2.9/6476=76, 4.6=61...(15) H ILE 7 + H ARG 30 OK 98 100 100 99 3.2-4.4 8238=71, 6072/8698=62...(21) H VAL 32 - H ARG 30 far 0 79 0 - 6.0-6.9 Violated in 1 structures by 0.00 A. Peak 6476 from nnoeabs.peaks (5.66, 9.09, 125.04 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.97: * HA LEU 29 + H ARG 30 OK 97 100 100 97 2.2-2.3 1270=68, 3.6/1294=26...(16) Violated in 0 structures by 0.00 A. Peak 6477 from nnoeabs.peaks (1.16, 9.09, 125.04 ppm; 4.01 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + H ARG 30 OK 100 100 100 100 3.7-4.1 2.9/6476=79, 4.3=78...(17) HB2 LEU 6 + H ARG 30 OK 89 92 100 97 3.9-5.0 3.0/8698=64...(16) QG2 THR 31 + H ARG 30 OK 87 93 100 94 4.4-5.1 4.0/6491=40, 1385/3.0=26...(13) HB2 LEU 57 - H ARG 30 far 0 65 0 - 8.3-9.5 HB3 LEU 3 - H ARG 30 far 0 99 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 6478 from nnoeabs.peaks (1.60, 9.09, 125.04 ppm; 3.82 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + H ARG 30 OK 100 100 100 100 3.7-4.1 2.9/6476=74, 4.3=68...(15) HB2 ARG 30 + H ARG 30 OK 99 100 100 100 2.7-3.9 4.0=84, 1.8/6484=76...(13) HG2 ARG 19 + H ARG 30 OK 45 99 65 71 4.5-8.5 1298/1302=22...(10) HB3 GLU 28 - H ARG 30 far 0 71 0 - 5.8-6.2 HG LEU 27 - H ARG 30 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 6479 from nnoeabs.peaks (1.44, 9.09, 125.04 ppm; 3.44 A): 2 out of 6 assignments used, quality = 0.99: * HG LEU 29 + H ARG 30 OK 98 100 100 98 1.8-4.2 1294=57, 2.1/1302=52...(21) QB ALA 22 + H ARG 30 OK 27 100 30 88 4.8-5.4 8577/4.3=32...(11) HG12 ILE 7 - H ARG 30 far 0 99 0 - 6.7-7.5 HB2 LEU 27 - H ARG 30 far 0 90 0 - 7.1-7.8 HG LEU 38 - H ARG 30 far 0 87 0 - 8.1-11.8 HB2 LEU 38 - H ARG 30 far 0 92 0 - 9.3-12.3 Violated in 9 structures by 0.23 A. Peak 6480 from nnoeabs.peaks (0.64, 9.09, 125.04 ppm; 3.39 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + H ARG 30 OK 99 100 100 99 1.8-4.0 1302=59, 2.1/6479=51...(22) QD1 LEU 29 + H ARG 30 OK 98 99 100 99 1.8-3.6 2.1/6479=51, 2.1/1302=50...(27) QD1 ILE 7 - H ARG 30 poor 19 90 30 70 4.7-5.8 4.7/8238=25, 277/1294=14...(14) QG2 VAL 54 - H ARG 30 far 0 98 0 - 7.4-8.4 QD1 LEU 14 - H ARG 30 far 0 68 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 6481 from nnoeabs.peaks (0.65, 9.09, 125.04 ppm; 3.39 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 29 + H ARG 30 OK 99 100 100 99 1.8-3.6 2.1/6479=51, 2.1/1302=50...(27) QD2 LEU 29 + H ARG 30 OK 98 99 100 99 1.8-4.0 1302=58, 2.1/6479=51...(22) QD2 LEU 6 + H ARG 30 OK 65 71 100 91 2.0-4.8 4.0/8698=35, 10232=33...(18) QD1 ILE 7 - H ARG 30 poor 14 71 30 66 4.7-5.8 4.7/8238=25, 3.2/6486=13...(13) QG2 VAL 54 - H ARG 30 far 0 100 0 - 7.4-8.4 QD1 LEU 42 - H ARG 30 far 0 68 0 - 8.9-10.1 QD1 LEU 14 - H ARG 30 far 0 87 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 6482 from nnoeabs.peaks (4.91, 9.09, 125.04 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 30 + H ARG 30 OK 100 100 100 100 2.9-2.9 3.0=100 HA THR 31 + H ARG 30 OK 85 90 100 95 4.7-4.8 3.0/6491=50, ~1319=31...(14) HA ILE 56 - H ARG 30 far 0 75 0 - 5.9-6.7 Violated in 0 structures by 0.00 A. Peak 6483 from nnoeabs.peaks (1.60, 9.09, 125.04 ppm; 3.82 A): 3 out of 4 assignments used, quality = 1.00: * HB2 ARG 30 + H ARG 30 OK 100 100 100 100 2.7-3.9 4.0=84, 1.8/6484=76...(13) HB3 LEU 29 + H ARG 30 OK 99 100 100 100 3.7-4.1 2.9/6476=74, 4.3=68...(15) HG2 ARG 19 + H ARG 30 OK 43 94 65 70 4.5-8.5 1298/1302=22...(10) HG LEU 27 - H ARG 30 far 0 100 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 6484 from nnoeabs.peaks (1.37, 9.09, 125.04 ppm; 3.77 A): 1 out of 7 assignments used, quality = 0.99: * HB3 ARG 30 + H ARG 30 OK 99 100 100 99 2.7-3.8 4.0=80, 2.9/6485=48...(17) HG12 ILE 8 - H ARG 30 far 0 99 0 - 7.1-8.1 HB3 LEU 27 - H ARG 30 far 0 82 0 - 7.3-8.3 QB ALA 89 - H ARG 30 far 0 73 0 - 7.5-8.0 QB ALA 67 - H ARG 30 far 0 70 0 - 8.3-9.6 QB ALA 25 - H ARG 30 far 0 73 0 - 9.3-10.4 HG LEU 14 - H ARG 30 far 0 91 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 6485 from nnoeabs.peaks (1.29, 9.09, 125.04 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + H ARG 30 OK 100 100 100 100 3.4-4.4 2.9/6484=73, 4.9=68...(17) Violated in 1 structures by 0.00 A. Peak 6486 from nnoeabs.peaks (1.53, 9.09, 125.04 ppm; 4.04 A): 3 out of 8 assignments used, quality = 1.00: * HG3 ARG 30 + H ARG 30 OK 100 100 100 100 3.0-3.9 1.8/6485=68, 2.9/6484=65...(17) HG LEU 6 + H ARG 30 OK 96 100 100 96 3.7-5.4 2.1/10232=67...(12) HB ILE 7 + H ARG 30 OK 93 99 100 94 4.1-4.8 4.0/8238=44...(14) HB3 GLU 28 - H ARG 30 far 0 71 0 - 5.8-6.2 HG12 ILE 56 - H ARG 30 far 0 100 0 - 6.7-9.3 HG LEU 57 - H ARG 30 far 0 79 0 - 7.8-8.7 HG3 LYS 33 - H ARG 30 far 0 84 0 - 9.6-11.2 HB2 LEU 3 - H ARG 30 far 0 88 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 6489 from nnoeabs.peaks (8.50, 9.09, 125.04 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: * H THR 31 + H ARG 30 OK 100 100 100 100 4.4-4.4 1319/3.0=76, 6491=66...(16) H ILE 7 + H ARG 30 OK 58 61 100 95 3.2-4.4 3.6/8698=56, 8238=40...(20) H VAL 32 - H ARG 30 far 0 96 0 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 6490 from nnoeabs.peaks (8.50, 8.50, 114.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 31 + H THR 31 OK 100 100 - 100 Peak 6491 from nnoeabs.peaks (9.09, 8.50, 114.75 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H THR 31 OK 100 100 100 100 4.4-4.4 4.6=99, 3.0/1319=89...(19) Violated in 0 structures by 0.00 A. Peak 6492 from nnoeabs.peaks (4.91, 8.50, 114.75 ppm; 2.83 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 30 + H THR 31 OK 97 100 100 97 2.5-2.6 1319=72, 3.0/6493=33...(15) HA THR 31 + H THR 31 OK 87 90 100 98 2.9-2.9 3.0=88, 3.2/6501=34...(11) HA ILE 56 - H THR 31 far 0 75 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 6493 from nnoeabs.peaks (1.60, 8.50, 114.75 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + H THR 31 OK 100 100 100 100 2.1-3.7 3.0/1319=64, 1.8/6494=62...(18) HG2 ARG 19 - H THR 31 far 0 94 0 - 5.6-9.6 HB3 LEU 29 - H THR 31 far 0 100 0 - 6.9-7.9 Violated in 1 structures by 0.00 A. Peak 6494 from nnoeabs.peaks (1.37, 8.50, 114.75 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + H THR 31 OK 100 100 100 100 2.2-3.6 1.8/6493=85, 3.0/1319=75...(19) HG12 ILE 8 - H THR 31 far 0 99 0 - 6.6-8.2 QB ALA 67 - H THR 31 far 0 70 0 - 8.8-9.9 QB ALA 89 - H THR 31 far 0 73 0 - 9.4-10.1 HG3 LYS 40 - H THR 31 far 0 98 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 6495 from nnoeabs.peaks (1.29, 8.50, 114.75 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + H THR 31 OK 100 100 100 100 4.6-4.9 2.9/6493=84, 2.9/6494=78...(16) Violated in 16 structures by 0.08 A. Peak 6496 from nnoeabs.peaks (1.53, 8.50, 114.75 ppm; 4.23 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + H THR 31 OK 100 100 100 100 4.0-4.6 2.9/6493=72, 3.9/1319=65...(14) HB ILE 7 + H THR 31 OK 29 99 30 96 5.5-6.4 8732/6501=65...(13) HG LEU 6 - H THR 31 far 5 100 5 - 4.5-7.6 HG3 LYS 33 - H THR 31 far 0 84 0 - 5.9-7.5 HG2 LYS 33 - H THR 31 far 0 94 0 - 6.9-8.6 HB3 GLU 28 - H THR 31 far 0 71 0 - 8.2-8.5 HG12 ILE 56 - H THR 31 far 0 100 0 - 9.1-11.8 Violated in 12 structures by 0.08 A. Peak 6497 from nnoeabs.peaks (2.67, 8.50, 114.75 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + H THR 31 OK 100 100 100 100 2.9-5.3 1364=100, 1.8/6498=95...(10) HB3 TYR 41 + H THR 31 OK 53 68 90 87 5.9-6.9 4.4/8740=48...(9) Violated in 0 structures by 0.00 A. Peak 6498 from nnoeabs.peaks (3.08, 8.50, 114.75 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + H THR 31 OK 100 100 100 100 2.9-4.7 1373=75, 1366/1319=72...(12) Violated in 4 structures by 0.02 A. Peak 6499 from nnoeabs.peaks (4.89, 8.50, 114.75 ppm; 3.13 A): 2 out of 3 assignments used, quality = 1.00: * HA THR 31 + H THR 31 OK 100 100 100 100 2.9-2.9 3.0=100 HA ARG 30 + H THR 31 OK 89 90 100 99 2.5-2.6 1319=83, 3.0/6493=41...(15) HA ILE 56 - H THR 31 far 0 99 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 6500 from nnoeabs.peaks (4.24, 8.50, 114.75 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 31 + H THR 31 OK 100 100 100 100 3.5-3.8 3.9=94, 2.1/6501=79...(10) Violated in 0 structures by 0.00 A. Peak 6501 from nnoeabs.peaks (1.14, 8.50, 114.75 ppm; 3.37 A): 1 out of 5 assignments used, quality = 0.96: * QG2 THR 31 + H THR 31 OK 96 100 100 96 2.9-3.5 4.0=60, 2.1/6500=54...(13) HB2 LEU 6 - H THR 31 far 0 59 0 - 5.1-6.4 HB2 LEU 29 - H THR 31 far 0 93 0 - 6.9-7.9 QG2 THR 34 - H THR 31 far 0 70 0 - 8.9-9.9 HG2 LYS 40 - H THR 31 far 0 95 0 - 9.0-12.6 Violated in 2 structures by 0.01 A. Peak 6503 from nnoeabs.peaks (8.48, 8.48, 122.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + H VAL 32 OK 100 100 - 100 Peak 6505 from nnoeabs.peaks (4.89, 8.48, 122.32 ppm; 2.97 A): 1 out of 3 assignments used, quality = 0.87: * HA THR 31 + H VAL 32 OK 87 100 100 87 2.1-2.4 3.6=58, 3.0/6506=36...(13) HA ARG 30 - H VAL 32 far 0 90 0 - 6.1-6.6 HA ILE 56 - H VAL 32 far 0 99 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 6506 from nnoeabs.peaks (4.24, 8.48, 122.32 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.98: * HB THR 31 + H VAL 32 OK 98 100 100 98 2.5-3.5 3.0/6505=67, 1383=52...(12) Violated in 0 structures by 0.00 A. Peak 6507 from nnoeabs.peaks (1.14, 8.48, 122.32 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * QG2 THR 31 + H VAL 32 OK 100 100 100 100 2.8-3.9 4.0=85, 2.1/6506=73...(11) HB2 LEU 6 + H VAL 32 OK 39 59 90 74 3.9-5.7 10337/4.0=23...(15) QG2 THR 34 - H VAL 32 far 0 70 0 - 7.1-7.5 HB2 LEU 29 - H VAL 32 far 0 93 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 6508 from nnoeabs.peaks (4.41, 8.48, 122.32 ppm; 3.71 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 SER 9 - H VAL 32 far 0 94 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 6509 from nnoeabs.peaks (1.94, 8.48, 122.32 ppm; 3.45 A): 1 out of 6 assignments used, quality = 0.97: * HB VAL 32 + H VAL 32 OK 97 100 100 97 2.8-3.3 3.9=67, 2.1/6511=43...(15) HB2 GLU 37 - H VAL 32 far 0 63 0 - 5.5-7.8 HB2 LYS 33 - H VAL 32 far 0 88 0 - 6.2-6.7 HB3 LYS 33 - H VAL 32 far 0 85 0 - 6.5-7.1 HB3 ARG 19 - H VAL 32 far 0 99 0 - 8.9-11.6 HB3 LEU 14 - H VAL 32 far 0 61 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 6510 from nnoeabs.peaks (0.91, 8.48, 122.32 ppm; 3.92 A): 2 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=94, 2.1/6509=80...(14) HG13 ILE 8 + H VAL 32 OK 90 92 100 97 2.5-4.6 12203/6509=48...(18) HG13 ILE 7 - H VAL 32 far 0 97 0 - 6.0-6.7 QG2 VAL 5 - H VAL 32 far 0 57 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 6511 from nnoeabs.peaks (0.83, 8.48, 122.32 ppm; 3.31 A): 2 out of 9 assignments used, quality = 0.99: * QG2 VAL 32 + H VAL 32 OK 97 100 100 97 1.9-2.6 2.1/6509=61, 4.0=56...(19) QG2 ILE 7 + H VAL 32 OK 61 71 100 85 2.7-3.7 8282/4.0=24...(21) QD2 LEU 38 - H VAL 32 poor 20 99 20 - 4.5-6.4 QD1 LEU 38 - H VAL 32 far 12 79 15 - 4.5-8.1 QG2 ILE 15 - H VAL 32 far 0 90 0 - 5.1-5.6 QD2 LEU 57 - H VAL 32 far 0 65 0 - 7.4-8.5 QD1 LEU 70 - H VAL 32 far 0 96 0 - 8.3-11.2 QD2 LEU 70 - H VAL 32 far 0 87 0 - 9.0-11.8 QD1 LEU 57 - H VAL 32 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 6512 from nnoeabs.peaks (9.30, 8.48, 122.32 ppm; 4.86 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 33 + H VAL 32 OK 100 100 100 100 4.4-4.6 4.6=100 H LEU 6 - H VAL 32 far 0 99 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 6513 from nnoeabs.peaks (9.30, 9.30, 123.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 33 + H LYS 33 OK 100 100 - 100 Peak 6514 from nnoeabs.peaks (8.48, 9.30, 123.65 ppm; 5.00 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 32 + H LYS 33 OK 100 100 100 100 4.4-4.6 4.6=100 H THR 31 - H LYS 33 far 0 96 0 - 6.8-7.4 H ILE 7 - H LYS 33 far 0 90 0 - 7.3-8.9 H ALA 67 - H LYS 33 far 0 100 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 6515 from nnoeabs.peaks (4.41, 9.30, 123.65 ppm; 2.87 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 32 + H LYS 33 OK 100 100 100 100 2.3-2.4 1394=94, 3.2/1406=31...(25) HA SER 9 - H LYS 33 far 0 94 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 6516 from nnoeabs.peaks (1.94, 9.30, 123.65 ppm; 3.07 A): 4 out of 4 assignments used, quality = 1.00: * HB VAL 32 + H LYS 33 OK 95 100 100 95 3.0-3.6 3.0/6515=51, 2.1/1406=47...(13) HB2 LYS 33 + H LYS 33 OK 86 88 100 98 3.8-3.9 4.1=43, 2.8/6523=40...(18) HB3 LYS 33 + H LYS 33 OK 84 85 100 98 3.0-3.4 4.1=43, 2.8/6523=40...(20) HB2 GLU 37 + H LYS 33 OK 55 63 100 86 2.7-4.4 1.8/8818=25, 3.0/8816=23...(12) Violated in 0 structures by 0.00 A. Peak 6517 from nnoeabs.peaks (0.91, 9.30, 123.65 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 32 + H LYS 33 OK 100 100 100 100 1.7-2.3 1406=94, 3.2/6515=65...(26) HG13 ILE 8 + H LYS 33 OK 28 92 40 77 4.6-7.1 12203/4.4=32...(10) Violated in 0 structures by 0.00 A. Peak 6518 from nnoeabs.peaks (0.83, 9.30, 123.65 ppm; 4.07 A): 3 out of 7 assignments used, quality = 1.00: * QG2 VAL 32 + H LYS 33 OK 100 100 100 100 4.0-4.2 4.1=98, 2.1/1406=80...(22) QD2 LEU 38 + H LYS 33 OK 81 99 95 86 3.4-6.5 4.5/10555=28...(13) QD1 LEU 38 + H LYS 33 OK 25 79 50 63 3.9-7.2 4.5/10555=28...(9) QG2 ILE 7 - H LYS 33 far 0 71 0 - 6.5-7.4 QD1 LEU 70 - H LYS 33 far 0 96 0 - 6.7-9.4 QD2 LEU 70 - H LYS 33 far 0 87 0 - 7.4-10.1 QG2 ILE 15 - H LYS 33 far 0 90 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 6519 from nnoeabs.peaks (4.53, 9.30, 123.65 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 33 + H LYS 33 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6520 from nnoeabs.peaks (1.92, 9.30, 123.65 ppm; 3.07 A): 3 out of 5 assignments used, quality = 1.00: HB3 LYS 33 + H LYS 33 OK 98 100 100 98 3.0-3.4 4.1=43, 2.8/6523=40...(20) * HB2 LYS 33 + H LYS 33 OK 98 100 100 98 3.8-3.9 4.1=43, 2.8/6523=40...(18) HB VAL 32 + H LYS 33 OK 83 88 100 94 3.0-3.6 3.0/6515=51, 2.1/1406=47...(12) HB ILE 8 - H LYS 33 far 0 90 0 - 7.0-7.7 HG LEU 42 - H LYS 33 far 0 91 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6521 from nnoeabs.peaks (1.92, 9.30, 123.65 ppm; 3.07 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LYS 33 + H LYS 33 OK 98 100 100 98 3.0-3.4 4.1=43, 2.8/6523=40...(20) HB2 LYS 33 + H LYS 33 OK 98 100 100 98 3.8-3.9 4.1=43, 2.8/6523=40...(18) HB VAL 32 + H LYS 33 OK 81 85 100 94 3.0-3.6 3.0/6515=51, 2.1/1406=47...(12) HB ILE 8 - H LYS 33 far 0 92 0 - 7.0-7.7 HG LEU 42 - H LYS 33 far 0 93 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6522 from nnoeabs.peaks (1.55, 9.30, 123.65 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 33 + H LYS 33 OK 100 100 100 100 3.7-4.0 1446=64, 1.8/1457=60...(20) HG LEU 6 - H LYS 33 far 0 88 0 - 7.3-10.4 HG12 ILE 56 - H LYS 33 far 0 95 0 - 9.3-12.8 HB ILE 7 - H LYS 33 far 0 84 0 - 9.4-10.6 Violated in 19 structures by 0.10 A. Peak 6523 from nnoeabs.peaks (1.50, 9.30, 123.65 ppm; 3.67 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 33 + H LYS 33 OK 100 100 100 100 2.1-2.5 1457=65, 1418/3.0=61...(28) HG LEU 6 - H LYS 33 far 0 91 0 - 7.3-10.4 HG2 LYS 66 - H LYS 33 far 0 98 0 - 7.9-11.4 HG3 LYS 66 - H LYS 33 far 0 99 0 - 7.9-9.9 HD3 LYS 40 - H LYS 33 far 0 59 0 - 8.7-10.3 HG12 ILE 56 - H LYS 33 far 0 82 0 - 9.3-12.8 HB ILE 7 - H LYS 33 far 0 94 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 6524 from nnoeabs.peaks (1.72, 9.30, 123.65 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 33 + H LYS 33 OK 100 100 100 100 3.2-4.2 3.0/6523=80, 3.0/6522=79...(24) * HD2 LYS 33 + H LYS 33 OK 100 100 100 100 3.3-5.0 3.0/6523=80, 3.0/6522=79...(24) HD3 LYS 66 - H LYS 33 far 0 88 0 - 9.6-11.8 HG LEU 70 - H LYS 33 far 0 84 0 - 9.7-10.8 HG12 ILE 15 - H LYS 33 far 0 75 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 6525 from nnoeabs.peaks (1.72, 9.30, 123.65 ppm; 4.55 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 33 + H LYS 33 OK 100 100 100 100 3.2-4.2 3.0/6523=80, 3.0/6522=79...(24) HD2 LYS 33 + H LYS 33 OK 100 100 100 100 3.3-5.0 3.0/6523=80, 3.0/6522=79...(24) HD3 LYS 66 - H LYS 33 far 0 88 0 - 9.6-11.8 HG LEU 70 - H LYS 33 far 0 84 0 - 9.7-10.8 HG12 ILE 15 - H LYS 33 far 0 75 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 6528 from nnoeabs.peaks (7.25, 9.30, 123.65 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + H LYS 33 OK 100 100 100 100 1.7-1.9 6530=100, 8764/1394=36...(21) Violated in 0 structures by 0.00 A. Peak 6529 from nnoeabs.peaks (7.25, 7.25, 106.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + H THR 34 OK 100 100 - 100 Peak 6530 from nnoeabs.peaks (9.30, 7.25, 106.30 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 33 + H THR 34 OK 99 100 100 99 1.7-1.9 6528=84, 1394/8764=32...(21) Violated in 0 structures by 0.00 A. Peak 6531 from nnoeabs.peaks (4.53, 7.25, 106.30 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 33 + H THR 34 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6532 from nnoeabs.peaks (1.92, 7.25, 106.30 ppm; 3.22 A): 3 out of 5 assignments used, quality = 1.00: HB3 LYS 33 + H THR 34 OK 95 100 100 95 2.7-3.5 4.4=39, 4.1/6530=38...(13) * HB2 LYS 33 + H THR 34 OK 94 100 100 94 4.0-4.4 4.4=39, 4.1/6530=38...(10) HB VAL 32 + H THR 34 OK 82 88 100 93 3.7-4.6 2.1/8749=63, 3.0/8764=42...(9) HB ILE 8 - H THR 34 far 0 90 0 - 7.4-8.4 HG LEU 42 - H THR 34 far 0 91 0 - 9.4-10.2 Violated in 1 structures by 0.00 A. Peak 6533 from nnoeabs.peaks (1.92, 7.25, 106.30 ppm; 3.22 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LYS 33 + H THR 34 OK 95 100 100 95 2.7-3.5 4.4=39, 4.1/6530=38...(13) HB2 LYS 33 + H THR 34 OK 94 100 100 94 4.0-4.4 4.4=39, 4.1/6530=38...(10) HB VAL 32 + H THR 34 OK 80 85 100 93 3.7-4.6 2.1/8749=63, 3.0/8764=42...(9) HB ILE 8 - H THR 34 far 0 92 0 - 7.4-8.4 HG LEU 42 - H THR 34 far 0 93 0 - 9.4-10.2 Violated in 1 structures by 0.00 A. Peak 6534 from nnoeabs.peaks (1.55, 7.25, 106.30 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 33 + H THR 34 OK 100 100 100 100 4.4-4.7 6522/6530=77, 4.9=74...(9) HG LEU 6 - H THR 34 far 0 88 0 - 8.6-11.5 HG12 ILE 56 - H THR 34 far 0 95 0 - 9.6-13.5 Violated in 17 structures by 0.11 A. Peak 6535 from nnoeabs.peaks (1.50, 7.25, 106.30 ppm; 4.32 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 33 + H THR 34 OK 100 100 100 100 3.1-3.8 6523/6530=75...(15) HG2 LYS 66 - H THR 34 far 0 98 0 - 6.5-10.5 HG3 LYS 66 - H THR 34 far 0 99 0 - 7.0-9.1 HD3 LYS 40 - H THR 34 far 0 59 0 - 8.4-10.7 HG LEU 6 - H THR 34 far 0 91 0 - 8.6-11.5 HG12 ILE 56 - H THR 34 far 0 82 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 6536 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 5.12 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 33 + H THR 34 OK 100 100 100 100 4.7-5.4 3.0/6535=81, 3.0/6534=79...(10) * HD2 LYS 33 + H THR 34 OK 100 100 100 100 4.7-6.0 3.0/6535=81, 3.0/6534=79...(10) HD3 LYS 66 - H THR 34 far 0 88 0 - 8.3-10.4 HG LEU 70 - H THR 34 far 0 84 0 - 8.7-10.0 HB3 LEU 70 - H THR 34 far 0 99 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 6537 from nnoeabs.peaks (1.72, 7.25, 106.30 ppm; 5.12 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 33 + H THR 34 OK 100 100 100 100 4.7-5.4 3.0/6535=81, 3.0/6534=79...(10) HD2 LYS 33 + H THR 34 OK 100 100 100 100 4.7-6.0 3.0/6535=81, 3.0/6534=79...(10) HD3 LYS 66 - H THR 34 far 0 88 0 - 8.3-10.4 HG LEU 70 - H THR 34 far 0 84 0 - 8.7-10.0 HB3 LEU 70 - H THR 34 far 0 99 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 6540 from nnoeabs.peaks (4.78, 7.25, 106.30 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 34 + H THR 34 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6541 from nnoeabs.peaks (4.59, 7.25, 106.30 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 34 + H THR 34 OK 100 100 100 100 3.8-4.0 4.0=100 HA ILE 8 - H THR 34 far 0 96 0 - 6.3-7.5 Violated in 0 structures by 0.00 A. Peak 6542 from nnoeabs.peaks (1.17, 7.25, 106.30 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 34 + H THR 34 OK 100 100 100 100 2.2-2.7 1522=85, 1523/3.0=60...(19) QG2 THR 31 - H THR 34 far 0 70 0 - 7.9-8.5 HB2 LEU 6 - H THR 34 far 0 100 0 - 8.3-9.5 HG2 LYS 40 - H THR 34 far 0 95 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 6543 from nnoeabs.peaks (9.17, 7.25, 106.30 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + H THR 34 OK 100 100 100 100 4.3-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 6544 from nnoeabs.peaks (9.17, 9.17, 121.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + H GLU 35 OK 100 100 - 100 Peak 6545 from nnoeabs.peaks (7.25, 9.17, 121.92 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + H GLU 35 OK 100 100 100 100 4.3-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 6546 from nnoeabs.peaks (4.78, 9.17, 121.92 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.87: * HA THR 34 + H GLU 35 OK 87 100 100 87 2.3-2.8 3.6=59, 3.0/6547=41...(6) Violated in 0 structures by 0.00 A. Peak 6547 from nnoeabs.peaks (4.59, 9.17, 121.92 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.99: * HB THR 34 + H GLU 35 OK 99 100 100 99 2.1-2.9 1521=86, 3.0/6546=59...(10) HA ILE 8 - H GLU 35 far 0 96 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 6548 from nnoeabs.peaks (1.17, 9.17, 121.92 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 34 + H GLU 35 OK 100 100 100 100 3.7-4.1 1526=91, 2.1/6547=84...(11) Violated in 6 structures by 0.01 A. Peak 6549 from nnoeabs.peaks (3.89, 9.17, 121.92 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 35 + H GLU 35 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 63 - H GLU 35 far 0 82 0 - 5.9-7.9 HA ALA 67 - H GLU 35 far 0 71 0 - 6.4-8.1 HA LEU 38 - H GLU 35 far 0 98 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 6550 from nnoeabs.peaks (2.01, 9.17, 121.92 ppm; 3.55 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLU 35 + H GLU 35 OK 99 100 100 99 2.1-2.7 1534=77, 1.8/1541=62...(19) HB2 GLU 37 - H GLU 35 far 0 77 0 - 6.1-7.6 QE MET 74 - H GLU 35 far 0 100 0 - 8.3-10.3 HB2 GLU 62 - H GLU 35 far 0 99 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 6551 from nnoeabs.peaks (2.08, 9.17, 121.92 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.99: * HB3 GLU 35 + H GLU 35 OK 99 100 100 99 2.4-3.6 1541=73, 1.8/6550=72...(19) HG3 GLU 37 + H GLU 35 OK 31 79 60 65 4.2-6.0 5.0/8803=21, 8814/4.6=19...(8) HB3 LEU 38 - H GLU 35 far 10 99 10 - 4.8-6.9 HB3 GLU 62 - H GLU 35 far 0 99 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 6552 from nnoeabs.peaks (2.20, 9.17, 121.92 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 35 + H GLU 35 OK 99 100 100 99 3.6-4.5 2.9/6550=61, 2.9/1541=54...(19) * HG2 GLU 35 + H GLU 35 OK 99 100 100 99 2.3-4.6 2.9/6550=61, 2.9/1541=54...(18) HB2 GLU 63 - H GLU 35 far 0 100 0 - 6.7-9.0 Violated in 6 structures by 0.05 A. Peak 6553 from nnoeabs.peaks (2.20, 9.17, 121.92 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 35 + H GLU 35 OK 99 100 100 99 3.6-4.5 2.9/6550=61, 2.9/1541=54...(19) HG2 GLU 35 + H GLU 35 OK 99 100 100 99 2.3-4.6 2.9/6550=61, 2.9/1541=54...(18) HB2 GLU 63 - H GLU 35 far 0 100 0 - 6.7-9.0 Violated in 6 structures by 0.05 A. Peak 6554 from nnoeabs.peaks (8.19, 9.17, 121.92 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 36 + H GLU 35 OK 100 100 100 100 2.4-2.9 6556=100, 8794/6547=57...(18) H LYS 68 - H GLU 35 far 0 100 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 6555 from nnoeabs.peaks (8.19, 8.19, 118.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + H ASP 36 OK 100 100 - 100 Peak 6556 from nnoeabs.peaks (9.17, 8.19, 118.33 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + H ASP 36 OK 100 100 100 100 2.4-2.9 6554=83, 6547/8794=51...(17) Violated in 0 structures by 0.00 A. Peak 6557 from nnoeabs.peaks (3.89, 8.19, 118.33 ppm; 3.89 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 35 + H ASP 36 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 38 - H ASP 36 far 0 98 0 - 6.6-7.2 HA ALA 67 - H ASP 36 far 0 71 0 - 7.3-8.5 HA LYS 40 - H ASP 36 far 0 90 0 - 8.0-9.0 HA GLU 63 - H ASP 36 far 0 82 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 6558 from nnoeabs.peaks (2.01, 8.19, 118.33 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.96: * HB2 GLU 35 + H ASP 36 OK 96 100 100 96 2.6-3.9 1540=56, 6550/6556=44...(14) HB2 GLU 37 - H ASP 36 far 0 77 0 - 5.6-6.5 QE MET 74 - H ASP 36 far 0 100 0 - 7.2-8.9 Violated in 11 structures by 0.13 A. Peak 6559 from nnoeabs.peaks (2.08, 8.19, 118.33 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.99: * HB3 GLU 35 + H ASP 36 OK 99 100 100 99 2.7-4.2 1.8/6558=77, 1547=54...(15) HG3 GLU 37 + H ASP 36 OK 63 79 95 84 3.6-5.3 1608/6565=35...(14) HB3 LEU 38 - H ASP 36 far 0 99 0 - 5.3-6.7 Violated in 6 structures by 0.03 A. Peak 6560 from nnoeabs.peaks (2.20, 8.19, 118.33 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 35 + H ASP 36 OK 98 100 100 98 2.0-4.6 2.9/6558=63, 2.9/6559=37...(21) HG3 GLU 35 + H ASP 36 OK 98 100 100 98 2.7-5.1 2.9/6558=63, 2.9/6559=37...(21) HG2 GLU 43 - H ASP 36 far 0 99 0 - 8.9-11.4 HB2 GLU 63 - H ASP 36 far 0 100 0 - 9.0-10.7 Violated in 4 structures by 0.05 A. Peak 6561 from nnoeabs.peaks (2.20, 8.19, 118.33 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLU 35 + H ASP 36 OK 98 100 100 98 2.0-4.6 2.9/6558=63, 2.9/6559=37...(21) * HG3 GLU 35 + H ASP 36 OK 98 100 100 98 2.7-5.1 2.9/6558=63, 2.9/6559=37...(21) HG2 GLU 43 - H ASP 36 far 0 99 0 - 8.9-11.4 HB2 GLU 63 - H ASP 36 far 0 100 0 - 9.0-10.7 Violated in 4 structures by 0.05 A. Peak 6562 from nnoeabs.peaks (4.29, 8.19, 118.33 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + H ASP 36 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6563 from nnoeabs.peaks (2.50, 8.19, 118.33 ppm; 2.81 A): 2 out of 2 assignments used, quality = 0.99: * HB2 ASP 36 + H ASP 36 OK 90 100 100 90 2.2-3.4 3.6=49, 1.8/1572=29...(15) HB3 ASP 36 + H ASP 36 OK 89 100 100 89 2.1-3.6 3.6=49, 1.8/1567=30...(17) Violated in 0 structures by 0.00 A. Peak 6564 from nnoeabs.peaks (2.51, 8.19, 118.33 ppm; 2.81 A): 2 out of 2 assignments used, quality = 0.99: HB2 ASP 36 + H ASP 36 OK 90 100 100 90 2.2-3.4 3.6=49, 1.8/1572=29...(15) * HB3 ASP 36 + H ASP 36 OK 89 100 100 89 2.1-3.6 3.6=49, 1.8/1567=30...(17) Violated in 0 structures by 0.00 A. Peak 6565 from nnoeabs.peaks (7.74, 8.19, 118.33 ppm; 3.18 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 37 + H ASP 36 OK 99 100 100 99 2.4-3.0 6567=88, 8822/8794=31...(15) Violated in 0 structures by 0.00 A. Peak 6566 from nnoeabs.peaks (7.74, 7.74, 120.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 37 + H GLU 37 OK 100 100 - 100 H LEU 64 + H LEU 64 OK 32 32 - 100 Peak 6567 from nnoeabs.peaks (8.19, 7.74, 120.70 ppm; 3.31 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 36 + H GLU 37 OK 100 100 100 100 2.4-3.0 6565=100, 8794/8822=34...(14) H LYS 68 - H LEU 64 far 0 43 0 - 5.6-6.2 H GLU 43 - H GLU 37 far 0 99 0 - 9.1-9.6 H HIS 106 - H LEU 64 far 0 26 0 - 9.2-24.4 Violated in 0 structures by 0.00 A. Peak 6568 from nnoeabs.peaks (4.29, 7.74, 120.70 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 36 + H GLU 37 OK 100 100 100 100 3.5-3.6 3.6=100 HA ASP 65 + H LEU 64 OK 31 32 100 97 5.2-5.4 3.0/7047=63, 3.6/7062=45...(11) Violated in 0 structures by 0.00 A. Peak 6569 from nnoeabs.peaks (2.50, 7.74, 120.70 ppm; 3.26 A): 3 out of 4 assignments used, quality = 1.00: * HB2 ASP 36 + H GLU 37 OK 95 100 100 95 2.3-4.2 4.0=52, 3.6/6565=44...(16) HB3 ASP 36 + H GLU 37 OK 94 100 100 94 2.4-4.1 4.0=52, 3.6/6565=44...(15) HG3 GLU 63 + H LEU 64 OK 30 41 90 81 2.7-4.9 2767/3.6=36, 7023/4.6=28...(11) HB2 ASP 61 - H LEU 64 far 0 42 0 - 5.3-6.2 Violated in 0 structures by 0.00 A. Peak 6570 from nnoeabs.peaks (2.51, 7.74, 120.70 ppm; 3.26 A): 3 out of 4 assignments used, quality = 1.00: HB2 ASP 36 + H GLU 37 OK 95 100 100 95 2.3-4.2 4.0=52, 3.6/6565=44...(16) * HB3 ASP 36 + H GLU 37 OK 94 100 100 94 2.4-4.1 4.0=52, 3.6/6565=44...(15) HG3 GLU 63 + H LEU 64 OK 30 41 90 81 2.7-4.9 2767/3.6=36, 7023/4.6=28...(11) HB2 ASP 61 - H LEU 64 far 0 42 0 - 5.3-6.2 Violated in 0 structures by 0.00 A. Peak 6571 from nnoeabs.peaks (3.71, 7.74, 120.70 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H GLU 37 OK 100 100 100 100 2.7-2.9 3.0=100 HB THR 80 - H LEU 64 far 0 28 0 - 5.4-6.8 Violated in 0 structures by 0.00 A. Peak 6572 from nnoeabs.peaks (1.98, 7.74, 120.70 ppm; 3.37 A): 1 out of 7 assignments used, quality = 1.00: * HB2 GLU 37 + H GLU 37 OK 100 100 100 100 2.9-3.6 1587=65, 1.8/1594=61...(20) HB2 GLU 62 - H LEU 64 far 1 20 5 - 4.7-6.1 HB2 GLU 35 - H GLU 37 far 0 77 0 - 5.0-6.1 HB VAL 32 - H GLU 37 far 0 63 0 - 6.0-7.4 QE MET 74 - H GLU 37 far 0 87 0 - 7.4-8.5 HB VAL 32 - H LEU 64 far 0 21 0 - 8.0-9.4 HB2 GLU 35 - H LEU 64 far 0 27 0 - 9.5-11.7 Violated in 11 structures by 0.10 A. Peak 6573 from nnoeabs.peaks (2.13, 7.74, 120.70 ppm; 2.99 A): 3 out of 9 assignments used, quality = 1.00: * HB3 GLU 37 + H GLU 37 OK 99 100 100 99 2.2-3.6 1.8/6572=57, 1594=52...(20) HG3 GLU 37 + H GLU 37 OK 94 96 100 99 1.6-3.0 1.8/6574=48, 1608=41...(24) HB2 LEU 64 + H LEU 64 OK 37 39 100 94 2.0-2.3 3.9=44, 7049/7047=31...(20) HB3 GLU 62 - H LEU 64 far 0 21 0 - 5.1-6.2 HG2 GLU 69 - H LEU 64 far 0 43 0 - 8.0-10.9 HB3 GLU 69 - H LEU 64 far 0 43 0 - 8.6-11.4 HB2 GLU 69 - H LEU 64 far 0 43 0 - 8.7-10.1 HG2 GLU 104 - H LEU 64 far 0 34 0 - 9.4-21.3 HG2 GLU 44 - H GLU 37 far 0 99 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 6574 from nnoeabs.peaks (2.26, 7.74, 120.70 ppm; 3.43 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 37 + H GLU 37 OK 100 100 100 100 2.2-3.6 1.8/1608=57, 1601=54...(22) HG2 GLU 62 - H LEU 64 poor 17 42 40 - 4.6-5.2 HG2 GLU 63 - H LEU 64 poor 15 21 100 71 2.6-4.0 3.0/2785=18, 3.0/2778=18...(15) HG3 GLU 62 - H LEU 64 far 0 42 0 - 5.1-5.8 Violated in 1 structures by 0.01 A. Peak 6575 from nnoeabs.peaks (2.11, 7.74, 120.70 ppm; 2.99 A): 3 out of 13 assignments used, quality = 1.00: * HG3 GLU 37 + H GLU 37 OK 99 100 100 99 1.6-3.0 1.8/6574=48, 1608=44...(24) HB3 GLU 37 + H GLU 37 OK 94 96 100 98 2.2-3.6 1.8/6572=57, 1594=49...(20) HB2 LEU 64 + H LEU 64 OK 40 42 100 95 2.0-2.3 3.9=44, 7049/7047=33...(21) HB3 LEU 38 - H GLU 37 far 0 63 0 - 4.7-6.0 HB3 GLU 35 - H GLU 37 far 0 79 0 - 5.1-6.3 HB3 GLU 62 - H LEU 64 far 0 34 0 - 5.1-6.2 HG2 GLU 69 - H LEU 64 far 0 37 0 - 8.0-10.9 HB3 LEU 38 - H LEU 64 far 0 21 0 - 8.5-10.7 HB3 GLU 69 - H LEU 64 far 0 37 0 - 8.6-11.4 HB2 GLU 69 - H LEU 64 far 0 37 0 - 8.7-10.1 HB3 GLU 35 - H LEU 64 far 0 28 0 - 8.8-12.0 HG2 GLU 104 - H LEU 64 far 0 20 0 - 9.4-21.3 HG2 GLU 44 - H GLU 37 far 0 85 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 6576 from nnoeabs.peaks (7.53, 7.74, 120.70 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H GLU 37 OK 100 100 100 100 2.4-2.9 6579=96, 1593/6572=32...(27) Violated in 0 structures by 0.00 A. Peak 6577 from nnoeabs.peaks (8.08, 7.74, 120.70 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H GLU 37 OK 100 100 100 100 4.3-4.7 6591/6576=82, 6594=79...(19) Violated in 5 structures by 0.01 A. Peak 6578 from nnoeabs.peaks (7.53, 7.53, 119.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LEU 38 OK 100 100 - 100 Peak 6579 from nnoeabs.peaks (7.74, 7.53, 119.20 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H LEU 38 OK 100 100 100 100 2.4-2.9 6576=100, 6572/1593=33...(27) Violated in 0 structures by 0.00 A. Peak 6580 from nnoeabs.peaks (3.71, 7.53, 119.20 ppm; 4.11 A): 1 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 LEU 42 - H LEU 38 far 0 100 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 6581 from nnoeabs.peaks (1.98, 7.53, 119.20 ppm; 3.62 A): 2 out of 5 assignments used, quality = 1.00: * HB2 GLU 37 + H LEU 38 OK 100 100 100 100 2.9-4.3 1593=63, 1.8/1600=57...(16) HB VAL 32 + H LEU 38 OK 52 63 85 96 4.7-5.7 2.1/8932=75, ~10162=29...(16) HB2 GLU 35 - H LEU 38 far 0 77 0 - 5.2-6.2 QE MET 74 - H LEU 38 far 0 87 0 - 6.2-7.5 HB2 GLU 44 - H LEU 38 far 0 88 0 - 9.7-12.7 Violated in 7 structures by 0.09 A. Peak 6582 from nnoeabs.peaks (2.13, 7.53, 119.20 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 37 + H LEU 38 OK 97 100 100 97 2.3-4.3 1600=44, 1.8/1593=42...(17) HG3 GLU 37 + H LEU 38 OK 93 96 100 98 2.1-4.4 1614=36, 1609/3.6=35...(19) HG2 GLU 44 - H LEU 38 far 0 99 0 - 9.0-12.6 HB2 GLU 69 - H LEU 38 far 0 100 0 - 9.3-11.6 HB3 GLU 69 - H LEU 38 far 0 100 0 - 10.0-12.0 Violated in 7 structures by 0.08 A. Peak 6583 from nnoeabs.peaks (2.26, 7.53, 119.20 ppm; 4.60 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 37 + H LEU 38 OK 100 100 100 100 2.7-4.9 1.8/1614=83, 1607=83...(18) HG3 GLU 62 - H LEU 38 far 0 100 0 - 9.6-11.8 HG2 GLU 63 - H LEU 38 far 0 63 0 - 9.7-11.9 HG2 GLU 62 - H LEU 38 far 0 100 0 - 9.7-13.2 Violated in 1 structures by 0.02 A. Peak 6584 from nnoeabs.peaks (2.11, 7.53, 119.20 ppm; 3.20 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 37 + H LEU 38 OK 98 100 100 98 2.1-4.4 1614=38, 1609/3.6=37...(21) HB3 GLU 37 + H LEU 38 OK 93 96 100 97 2.3-4.3 1.8/1593=42, 1600=41...(17) HB3 LEU 38 + H LEU 38 OK 62 63 100 97 2.4-3.5 3.8=59, 1.8/1626=53...(23) HB3 GLU 35 - H LEU 38 far 0 79 0 - 5.1-5.9 HG2 GLU 44 - H LEU 38 far 0 85 0 - 9.0-12.6 HB2 GLU 69 - H LEU 38 far 0 95 0 - 9.3-11.6 HB3 GLU 69 - H LEU 38 far 0 95 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 6585 from nnoeabs.peaks (3.87, 7.53, 119.20 ppm; 3.17 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 38 + H LEU 38 OK 100 100 100 100 2.7-2.8 2.9=100 HA GLU 35 + H LEU 38 OK 88 98 100 90 3.0-3.9 12057=49, 3.6/8941=26...(18) HA ALA 67 - H LEU 38 far 0 92 0 - 5.5-6.4 HA LYS 40 - H LEU 38 far 0 99 0 - 6.7-6.9 HA GLU 63 - H LEU 38 far 0 57 0 - 7.6-9.5 HA ALA 71 - H LEU 38 far 0 81 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 6586 from nnoeabs.peaks (1.46, 7.53, 119.20 ppm; 3.04 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 38 + H LEU 38 OK 98 100 100 98 2.0-3.6 1626=52, 1.8/1634=49...(30) HG LEU 38 + H LEU 38 OK 86 100 90 96 1.8-4.6 3.0/1634=37, 3.0/1626=37...(29) HG3 LYS 39 - H LEU 38 far 10 97 10 - 4.0-6.6 HG3 LYS 66 - H LEU 38 far 0 61 0 - 5.8-9.5 HG2 LYS 66 - H LEU 38 far 0 65 0 - 6.3-10.5 HD2 LYS 40 - H LEU 38 far 0 99 0 - 6.4-8.6 HD3 LYS 40 - H LEU 38 far 0 99 0 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 6587 from nnoeabs.peaks (2.07, 7.53, 119.20 ppm; 3.13 A): 2 out of 4 assignments used, quality = 0.99: * HB3 LEU 38 + H LEU 38 OK 98 100 100 98 2.4-3.5 1634=59, 1.8/1626=51...(24) HG3 GLU 37 + H LEU 38 OK 59 63 100 93 2.1-4.4 3.0/1600=33, 3.0/1593=33...(21) HB3 GLU 35 - H LEU 38 far 0 99 0 - 5.1-5.9 HB3 GLU 43 - H LEU 38 far 0 99 0 - 8.6-10.6 Violated in 5 structures by 0.02 A. Peak 6588 from nnoeabs.peaks (1.46, 7.53, 119.20 ppm; 3.04 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 38 + H LEU 38 OK 98 100 100 98 2.0-3.6 1626=52, 1.8/1634=49...(30) * HG LEU 38 + H LEU 38 OK 86 100 90 96 1.8-4.6 3.0/1634=37, 3.0/1626=37...(29) HG3 LYS 39 - H LEU 38 far 9 94 10 - 4.0-6.6 HG3 LYS 66 - H LEU 38 far 0 70 0 - 5.8-9.5 HG2 LYS 66 - H LEU 38 far 0 73 0 - 6.3-10.5 HD2 LYS 40 - H LEU 38 far 0 100 0 - 6.4-8.6 HD3 LYS 40 - H LEU 38 far 0 100 0 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 6589 from nnoeabs.peaks (0.82, 7.53, 119.20 ppm; 3.37 A): 4 out of 8 assignments used, quality = 1.00: * QD2 LEU 38 + H LEU 38 OK 99 100 100 99 2.1-4.4 3.1/1634=45, 3.1/1626=44...(30) QG2 VAL 32 + H LEU 38 OK 95 99 100 96 3.9-4.8 2.1/8937=60...(16) QD1 LEU 70 + H LEU 38 OK 65 100 95 68 3.4-5.8 6601/6591=13...(20) QD1 LEU 38 + H LEU 38 OK 60 61 100 97 3.0-4.1 3.1/1634=45, 3.1/1626=44...(25) QD2 LEU 70 - H LEU 38 far 5 96 5 - 3.6-7.0 QG2 ILE 8 - H LEU 38 far 0 65 0 - 5.8-6.9 QD1 ILE 76 - H LEU 38 far 0 90 0 - 8.1-9.2 QG2 ILE 7 - H LEU 38 far 0 87 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 6590 from nnoeabs.peaks (0.86, 7.53, 119.20 ppm; 3.37 A): 3 out of 4 assignments used, quality = 1.00: * QD1 LEU 38 + H LEU 38 OK 99 100 100 99 3.0-4.1 3.1/1634=45, 3.1/1626=44...(25) QG2 VAL 32 + H LEU 38 OK 74 79 100 94 3.9-4.8 2.1/8937=60...(17) QD2 LEU 38 + H LEU 38 OK 60 61 100 99 2.1-4.4 3.1/1634=45, 3.1/1626=44...(25) HG13 ILE 8 - H LEU 38 far 0 82 0 - 5.9-8.6 Violated in 1 structures by 0.01 A. Peak 6591 from nnoeabs.peaks (8.08, 7.53, 119.20 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LEU 38 OK 100 100 100 100 2.6-3.0 6596=91, 6599/1634=40...(24) Violated in 0 structures by 0.00 A. Peak 6592 from nnoeabs.peaks (7.63, 7.53, 119.20 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + H LEU 38 OK 100 100 100 100 3.9-4.1 6616=100, 6618/6591=67...(18) H GLU 44 - H LEU 38 far 0 75 0 - 9.1-10.2 Violated in 1 structures by 0.00 A. Peak 6593 from nnoeabs.peaks (8.08, 8.08, 116.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 Peak 6594 from nnoeabs.peaks (7.74, 8.08, 116.94 ppm; 5.01 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 37 + H LYS 39 OK 100 100 100 100 4.3-4.7 6577=100, 6576/6591=90...(21) H MET 74 - H LYS 39 far 0 100 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 6595 from nnoeabs.peaks (3.71, 8.08, 116.94 ppm; 5.45 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H LYS 39 OK 100 100 100 100 4.4-5.0 3.6/6591=92...(15) HA LEU 42 - H LYS 39 far 0 100 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 6596 from nnoeabs.peaks (7.53, 8.08, 116.94 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LYS 39 OK 100 100 100 100 2.6-3.0 6591=100, 1634/6599=42...(24) Violated in 0 structures by 0.00 A. Peak 6597 from nnoeabs.peaks (3.87, 8.08, 116.94 ppm; 3.90 A): 4 out of 7 assignments used, quality = 1.00: * HA LEU 38 + H LYS 39 OK 100 100 100 100 3.6-3.6 3.6=100 HA GLU 35 + H LYS 39 OK 91 98 100 93 3.6-4.4 12057/6591=49...(18) HA LYS 40 + H LYS 39 OK 89 99 95 95 5.2-5.4 2.9/6618=68, 3.6/6642=38...(17) HA ALA 67 + H LYS 39 OK 41 92 75 60 4.7-5.8 1635/6599=14...(15) HA ALA 71 - H LYS 39 far 0 81 0 - 6.5-7.6 HA GLU 43 - H LYS 39 far 0 99 0 - 7.9-8.7 HA GLU 63 - H LYS 39 far 0 57 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 6598 from nnoeabs.peaks (1.46, 8.08, 116.94 ppm; 3.36 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LEU 38 + H LYS 39 OK 98 100 100 98 2.3-3.4 1.8/6599=65, 1633=47...(24) HG3 LYS 39 + H LYS 39 OK 96 97 100 99 1.9-4.3 1713=54, 3.0/6604=54...(26) HG LEU 38 + H LYS 39 OK 85 100 90 95 2.1-5.0 3.0/6599=49, 3.0/1633=37...(23) HG3 LYS 66 - H LYS 39 far 0 61 0 - 5.6-10.7 HD3 LYS 40 - H LYS 39 far 0 99 0 - 6.4-8.0 HD2 LYS 40 - H LYS 39 far 0 99 0 - 6.7-8.2 HG2 LYS 66 - H LYS 39 far 0 65 0 - 6.7-11.2 HG2 LYS 73 - H LYS 39 far 0 63 0 - 8.5-10.8 HG13 ILE 76 - H LYS 39 far 0 93 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 6599 from nnoeabs.peaks (2.07, 8.08, 116.94 ppm; 3.57 A): 1 out of 5 assignments used, quality = 0.98: * HB3 LEU 38 + H LYS 39 OK 98 100 100 98 2.4-3.9 1641=68, 1.8/1633=52...(19) HB3 GLU 35 - H LYS 39 poor 20 99 20 - 4.5-6.1 HG3 GLU 37 - H LYS 39 far 3 63 5 - 4.8-6.8 HB3 GLU 43 - H LYS 39 far 0 99 0 - 6.7-8.4 HB2 MET 74 - H LYS 39 far 0 99 0 - 7.5-9.4 Violated in 9 structures by 0.12 A. Peak 6600 from nnoeabs.peaks (1.46, 8.08, 116.94 ppm; 3.36 A): 3 out of 9 assignments used, quality = 1.00: HB2 LEU 38 + H LYS 39 OK 98 100 100 98 2.3-3.4 1.8/6599=65, 1633=47...(24) HG3 LYS 39 + H LYS 39 OK 93 94 100 99 1.9-4.3 3.0/6604=54, 1713=52...(26) * HG LEU 38 + H LYS 39 OK 85 100 90 95 2.1-5.0 3.0/6599=49, 3.0/1633=37...(23) HG3 LYS 66 - H LYS 39 far 0 70 0 - 5.6-10.7 HD3 LYS 40 - H LYS 39 far 0 100 0 - 6.4-8.0 HD2 LYS 40 - H LYS 39 far 0 100 0 - 6.7-8.2 HG2 LYS 66 - H LYS 39 far 0 73 0 - 6.7-11.2 HG2 LYS 73 - H LYS 39 far 0 71 0 - 8.5-10.8 HG13 ILE 76 - H LYS 39 far 0 88 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 6601 from nnoeabs.peaks (0.82, 8.08, 116.94 ppm; 3.67 A): 4 out of 7 assignments used, quality = 1.00: * QD2 LEU 38 + H LYS 39 OK 97 100 100 97 3.7-4.6 3.1/6599=56, 3.1/1633=44...(20) QD1 LEU 70 + H LYS 39 OK 93 100 100 94 2.0-4.4 ~10822=29, 8952/3.0=27...(30) QD1 LEU 38 + H LYS 39 OK 59 61 100 96 1.8-4.5 3.1/6599=56, 3.1/1633=44...(16) QD2 LEU 70 + H LYS 39 OK 56 96 65 89 2.1-5.6 10822/3.0=47...(22) QG2 VAL 32 - H LYS 39 far 0 99 0 - 5.4-6.3 QD1 ILE 76 - H LYS 39 far 0 90 0 - 6.3-7.4 QG2 ILE 8 - H LYS 39 far 0 65 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 6602 from nnoeabs.peaks (0.86, 8.08, 116.94 ppm; 3.99 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 38 + H LYS 39 OK 99 100 100 99 1.8-4.5 3.1/6599=64, 3.1/1633=52...(21) QD2 LEU 38 + H LYS 39 OK 60 61 100 98 3.7-4.6 3.1/6599=64, 3.1/1633=52...(13) QG2 VAL 32 - H LYS 39 poor 17 79 30 70 5.4-6.3 10162/3.6=40...(7) HG13 ILE 8 - H LYS 39 far 0 82 0 - 7.8-9.8 QG2 ILE 76 - H LYS 39 far 0 88 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 6603 from nnoeabs.peaks (3.61, 8.08, 116.94 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6604 from nnoeabs.peaks (1.80, 8.08, 116.94 ppm; 3.29 A): 1 out of 8 assignments used, quality = 0.99: * HB2 LYS 39 + H LYS 39 OK 99 100 100 99 2.1-2.9 1680=63, 1.8/6605=50...(31) HB2 LEU 42 - H LYS 39 far 0 99 0 - 4.8-6.1 HB2 LYS 66 - H LYS 39 far 0 73 0 - 6.2-8.9 HG2 ARG 46 - H LYS 39 far 0 82 0 - 9.2-11.6 HB VAL 78 - H LYS 39 far 0 94 0 - 9.3-11.0 HB3 GLU 63 - H LYS 39 far 0 92 0 - 9.7-12.5 HB ILE 56 - H LYS 39 far 0 68 0 - 9.7-11.3 HG3 ARG 46 - H LYS 39 far 0 99 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 6605 from nnoeabs.peaks (1.86, 8.08, 116.94 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 39 + H LYS 39 OK 99 100 100 99 3.2-3.6 1.8/6604=73, 4.0=58...(22) HG LEU 42 + H LYS 39 OK 35 70 55 91 3.9-5.2 2.1/8947=32, ~8953=24...(20) HB3 LYS 66 - H LYS 39 far 0 100 0 - 6.6-9.4 HG2 ARG 46 - H LYS 39 far 0 63 0 - 9.2-11.6 Violated in 9 structures by 0.05 A. Peak 6606 from nnoeabs.peaks (1.34, 8.08, 116.94 ppm; 4.27 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 39 + H LYS 39 OK 100 100 100 100 2.2-4.6 1702=85, 1.8/1713=82...(34) HB2 LEU 70 + H LYS 39 OK 79 87 100 91 4.3-4.8 9543/8947=37...(13) QB ALA 67 + H LYS 39 OK 32 99 70 46 4.8-6.0 2983/3.6=17, 2.1/6597=10...(9) HG3 LYS 40 - H LYS 39 far 0 97 0 - 7.0-7.3 HG12 ILE 8 - H LYS 39 far 0 94 0 - 8.8-10.2 HB3 ARG 30 - H LYS 39 far 0 84 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 6607 from nnoeabs.peaks (1.44, 8.08, 116.94 ppm; 3.40 A): 3 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 39 OK 99 100 100 99 1.9-4.3 1713=59, 3.0/6604=55...(25) HB2 LEU 38 + H LYS 39 OK 95 97 100 98 2.3-3.4 1.8/6599=67, 1633=47...(24) HG LEU 38 + H LYS 39 OK 80 94 90 95 2.1-5.0 3.0/6599=50, 3.0/1633=38...(22) QB ALA 71 - H LYS 39 far 0 75 0 - 6.3-7.2 HD3 LYS 40 - H LYS 39 far 0 87 0 - 6.4-8.0 HD2 LYS 40 - H LYS 39 far 0 88 0 - 6.7-8.2 HG13 ILE 76 - H LYS 39 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 6608 from nnoeabs.peaks (1.65, 8.08, 116.94 ppm; 4.00 A): 4 out of 8 assignments used, quality = 1.00: * HD2 LYS 39 + H LYS 39 OK 100 100 100 100 3.5-4.4 3.6/6604=62, 3.0/1713=59...(27) HD3 LYS 39 + H LYS 39 OK 97 98 100 100 2.8-4.7 3.6/6604=62, 3.0/1713=59...(26) HB2 LYS 40 + H LYS 39 OK 94 99 100 95 4.6-5.2 1783/6618=65...(13) HB3 LYS 40 + H LYS 39 OK 72 79 100 91 4.9-5.3 4.1/6618=53, 4.3/6642=35...(13) HD2 LYS 73 - H LYS 39 far 0 98 0 - 7.5-10.2 HD3 LYS 73 - H LYS 39 far 0 99 0 - 8.1-10.0 HB3 LEU 6 - H LYS 39 far 0 100 0 - 8.7-9.9 HB ILE 76 - H LYS 39 far 0 99 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 6609 from nnoeabs.peaks (1.64, 8.08, 116.94 ppm; 4.00 A): 3 out of 8 assignments used, quality = 1.00: * HD3 LYS 39 + H LYS 39 OK 100 100 100 100 2.8-4.7 3.6/6604=62, 3.0/1713=59...(26) HD2 LYS 39 + H LYS 39 OK 97 98 100 100 3.5-4.4 3.6/6604=62, 3.0/1713=59...(27) HB2 LYS 40 + H LYS 39 OK 94 100 100 94 4.6-5.2 1783/6618=65...(13) HD2 LYS 73 - H LYS 39 far 0 84 0 - 7.5-10.2 HD3 LYS 73 - H LYS 39 far 0 87 0 - 8.1-10.0 HB3 LEU 6 - H LYS 39 far 0 100 0 - 8.7-9.9 HB ILE 76 - H LYS 39 far 0 100 0 - 9.0-10.6 HB2 ARG 30 - H LYS 39 far 0 61 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 6612 from nnoeabs.peaks (7.63, 8.08, 116.94 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + H LYS 39 OK 100 100 100 100 2.5-2.8 6618=100, 6620/6604=50...(23) H GLU 44 - H LYS 39 far 0 75 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 6613 from nnoeabs.peaks (7.82, 8.08, 116.94 ppm; 5.44 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 41 + H LYS 39 OK 100 100 100 100 4.2-4.6 6642=100, 6644/6618=95...(23) H LYS 73 - H LYS 39 far 0 94 0 - 8.6-9.4 HE ARG 30 - H LYS 39 far 0 70 0 - 8.9-13.6 H LYS 66 - H LYS 39 far 0 91 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 6614 from nnoeabs.peaks (7.63, 7.63, 118.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + H LYS 40 OK 100 100 - 100 Peak 6615 from nnoeabs.peaks (3.71, 7.63, 118.27 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H LYS 40 OK 100 100 100 100 3.3-3.9 1584=88, 1794/1795=52...(17) HA LEU 42 - H LYS 40 far 0 100 0 - 6.7-6.9 Violated in 9 structures by 0.04 A. Peak 6616 from nnoeabs.peaks (7.53, 7.63, 118.27 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LYS 40 OK 100 100 100 100 3.9-4.1 6592=92, 6591/6618=64...(18) Violated in 13 structures by 0.04 A. Peak 6617 from nnoeabs.peaks (3.87, 7.63, 118.27 ppm; 3.18 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 40 + H LYS 40 OK 99 99 100 100 2.8-2.8 2.9=100 * HA LEU 38 + H LYS 40 OK 72 100 80 90 4.2-4.8 3.6/6618=39, 2.9/6616=37...(16) HA GLU 35 - H LYS 40 far 0 98 0 - 6.0-6.7 HA GLU 43 - H LYS 40 far 0 99 0 - 6.7-7.2 HA ALA 67 - H LYS 40 far 0 92 0 - 7.2-8.4 HA ALA 71 - H LYS 40 far 0 81 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 6618 from nnoeabs.peaks (8.08, 7.63, 118.27 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H LYS 40 OK 100 100 100 100 2.5-2.8 6612=87, 6604/6620=46...(22) Violated in 0 structures by 0.00 A. Peak 6619 from nnoeabs.peaks (3.61, 7.63, 118.27 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 40 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6620 from nnoeabs.peaks (1.80, 7.63, 118.27 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 39 + H LYS 40 OK 100 100 100 100 2.6-4.0 1.8/6621=77, 1690=70...(22) HB2 LEU 42 - H LYS 40 poor 20 99 20 - 5.0-5.8 HG2 ARG 46 - H LYS 40 far 0 82 0 - 8.2-10.7 HB2 LYS 66 - H LYS 40 far 0 73 0 - 8.8-11.5 HG3 ARG 46 - H LYS 40 far 0 99 0 - 9.1-11.5 Violated in 8 structures by 0.12 A. Peak 6621 from nnoeabs.peaks (1.86, 7.63, 118.27 ppm; 3.38 A): 1 out of 4 assignments used, quality = 0.98: * HB3 LYS 39 + H LYS 40 OK 98 100 100 98 3.4-4.2 1701=67, 1.8/6620=67...(19) HG LEU 42 - H LYS 40 poor 17 70 25 - 4.1-5.5 HG2 ARG 46 - H LYS 40 far 0 63 0 - 8.2-10.7 HB3 LYS 66 - H LYS 40 far 0 100 0 - 9.2-12.0 Violated in 19 structures by 0.49 A. Peak 6622 from nnoeabs.peaks (1.34, 7.63, 118.27 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.99: HG3 LYS 40 + H LYS 40 OK 96 97 100 99 4.3-4.6 2.9/1783=64, 2.9/1795=63...(21) * HG2 LYS 39 + H LYS 40 OK 84 100 85 99 1.9-5.2 3.0/6621=62, 3.0/6620=59...(30) HB2 LEU 70 - H LYS 40 far 0 87 0 - 6.2-7.2 QB ALA 67 - H LYS 40 far 0 99 0 - 6.7-7.9 HB3 ARG 30 - H LYS 40 far 0 84 0 - 8.8-10.3 Violated in 6 structures by 0.10 A. Peak 6623 from nnoeabs.peaks (1.44, 7.63, 118.27 ppm; 4.08 A): 5 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + H LYS 40 OK 100 100 100 100 2.5-4.6 3.0/6621=73, 3.0/6620=70...(25) HB2 LEU 38 + H LYS 40 OK 92 97 100 95 4.8-5.4 3.8/6616=51...(12) HD2 LYS 40 + H LYS 40 OK 88 88 100 100 4.5-5.5 3.5/1783=66, 3.5/1795=65...(24) HD3 LYS 40 + H LYS 40 OK 87 87 100 100 4.2-5.4 3.5/1783=66, 3.5/1795=65...(24) HG LEU 38 + H LYS 40 OK 28 94 35 84 4.5-7.3 5.3/6616=34, 3.7/6617=27...(14) QB ALA 71 - H LYS 40 far 0 75 0 - 7.5-8.5 HG13 ILE 76 - H LYS 40 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6624 from nnoeabs.peaks (1.65, 7.63, 118.27 ppm; 2.83 A): 3 out of 9 assignments used, quality = 1.00: HB2 LYS 40 + H LYS 40 OK 97 99 100 98 2.3-2.6 1783=63, 1.8/1795=52...(29) HB3 LYS 40 + H LYS 40 OK 75 79 100 96 2.5-2.8 1.8/1783=53, 1795=45...(25) * HD2 LYS 39 + H LYS 40 OK 34 100 45 75 2.1-5.8 3.6/6621=30, 3.6/6620=28...(14) HD3 LYS 39 - H LYS 40 far 15 98 15 - 2.9-5.5 HD2 LYS 73 - H LYS 40 far 0 98 0 - 9.0-11.6 HB ILE 76 - H LYS 40 far 0 99 0 - 9.3-10.9 HD3 LYS 73 - H LYS 40 far 0 99 0 - 9.5-11.3 HD3 LYS 47 - H LYS 40 far 0 82 0 - 9.5-13.0 HB3 LEU 6 - H LYS 40 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 6625 from nnoeabs.peaks (1.64, 7.63, 118.27 ppm; 2.83 A): 2 out of 8 assignments used, quality = 0.98: HB2 LYS 40 + H LYS 40 OK 97 100 100 98 2.3-2.6 1783=64, 1.8/1795=52...(28) HD2 LYS 39 + H LYS 40 OK 33 98 45 75 2.1-5.8 3.6/6621=30, 3.6/6620=28...(15) ! HD3 LYS 39 - H LYS 40 far 15 100 15 - 2.9-5.5 HB2 ARG 30 - H LYS 40 far 0 61 0 - 8.9-10.6 HD2 LYS 73 - H LYS 40 far 0 84 0 - 9.0-11.6 HB ILE 76 - H LYS 40 far 0 100 0 - 9.3-10.9 HD3 LYS 73 - H LYS 40 far 0 87 0 - 9.5-11.3 HB3 LEU 6 - H LYS 40 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 6628 from nnoeabs.peaks (3.86, 7.63, 118.27 ppm; 3.18 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 40 + H LYS 40 OK 100 100 100 100 2.8-2.8 2.9=100 HA LEU 38 + H LYS 40 OK 71 99 80 90 4.2-4.8 3.6/6618=39, 2.9/6616=37...(16) HA GLU 35 - H LYS 40 far 0 90 0 - 6.0-6.7 HA GLU 43 - H LYS 40 far 0 94 0 - 6.7-7.2 HA ALA 67 - H LYS 40 far 0 99 0 - 7.2-8.4 HA ALA 71 - H LYS 40 far 0 93 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 6629 from nnoeabs.peaks (1.65, 7.63, 118.27 ppm; 2.83 A): 3 out of 9 assignments used, quality = 0.99: * HB2 LYS 40 + H LYS 40 OK 98 100 100 98 2.3-2.6 1783=64, 1.8/1795=52...(29) HB3 LYS 40 + H LYS 40 OK 59 63 100 94 2.5-2.8 1.8/1783=53, 4.1=34...(23) HD2 LYS 39 + H LYS 40 OK 34 99 45 75 2.1-5.8 3.6/6621=30, 3.6/6620=28...(15) HD3 LYS 39 - H LYS 40 far 15 100 15 - 2.9-5.5 HD2 LYS 73 - H LYS 40 far 0 91 0 - 9.0-11.6 HB ILE 76 - H LYS 40 far 0 100 0 - 9.3-10.9 HD3 LYS 73 - H LYS 40 far 0 93 0 - 9.5-11.3 HD3 LYS 47 - H LYS 40 far 0 68 0 - 9.5-13.0 HB3 LEU 6 - H LYS 40 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 6630 from nnoeabs.peaks (1.68, 7.63, 118.27 ppm; 2.80 A): 3 out of 11 assignments used, quality = 0.99: * HB3 LYS 40 + H LYS 40 OK 98 100 100 98 2.5-2.8 1795=60, 1.8/1783=51...(28) HB2 LYS 40 + H LYS 40 OK 59 63 100 93 2.3-2.6 1.8/1795=51, 1783=33...(26) HD2 LYS 39 + H LYS 40 OK 26 79 45 74 2.1-5.8 3.6/6621=29, 3.6/6620=28...(15) HB3 LEU 70 - H LYS 40 far 0 73 0 - 5.5-6.5 HG LEU 70 - H LYS 40 far 0 96 0 - 7.1-8.3 HD2 LYS 73 - H LYS 40 far 0 96 0 - 9.0-11.6 HB ILE 76 - H LYS 40 far 0 59 0 - 9.3-10.9 HD3 LYS 73 - H LYS 40 far 0 94 0 - 9.5-11.3 HD3 LYS 47 - H LYS 40 far 0 100 0 - 9.5-13.0 HD3 LYS 66 - H LYS 40 far 0 94 0 - 9.6-12.8 HB3 LEU 6 - H LYS 40 far 0 68 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 6631 from nnoeabs.peaks (1.16, 7.63, 118.27 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 40 + H LYS 40 OK 100 100 100 100 4.3-4.6 2.9/1783=80, 2.9/1795=79...(28) QG2 THR 34 - H LYS 40 far 0 95 0 - 7.2-8.3 HB2 LEU 6 - H LYS 40 far 0 90 0 - 9.0-10.3 Violated in 20 structures by 0.19 A. Peak 6632 from nnoeabs.peaks (1.36, 7.63, 118.27 ppm; 3.67 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 40 + H LYS 40 OK 99 100 100 99 4.3-4.6 2.9/1783=64, 2.9/1795=63...(21) HG2 LYS 39 + H LYS 40 OK 82 97 85 99 1.9-5.2 3.0/6621=62, 3.0/6620=59...(29) HB2 LEU 70 - H LYS 40 far 0 99 0 - 6.2-7.2 QB ALA 67 - H LYS 40 far 0 90 0 - 6.7-7.9 HB3 ARG 30 - H LYS 40 far 0 98 0 - 8.8-10.3 Violated in 6 structures by 0.10 A. Peak 6633 from nnoeabs.peaks (1.46, 7.63, 118.27 ppm; 3.90 A): 5 out of 8 assignments used, quality = 1.00: HD3 LYS 40 + H LYS 40 OK 95 100 95 100 4.2-5.4 3.5/1783=61, 3.5/1795=60...(24) * HD2 LYS 40 + H LYS 40 OK 90 100 90 99 4.5-5.5 3.5/1783=61, 3.5/1795=60...(24) HG3 LYS 39 + H LYS 40 OK 88 88 100 99 2.5-4.6 3.0/6621=68, 3.0/6620=65...(25) HB2 LEU 38 + H LYS 40 OK 78 99 85 93 4.8-5.4 1633/6618=46...(12) HG LEU 38 + H LYS 40 OK 28 100 35 81 4.5-7.3 5.3/6616=31, 3.7/6617=25...(14) HG3 LYS 66 - H LYS 40 far 0 79 0 - 8.2-13.1 HG2 LYS 66 - H LYS 40 far 0 82 0 - 9.1-13.8 HG13 ILE 76 - H LYS 40 far 0 81 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6634 from nnoeabs.peaks (1.47, 7.63, 118.27 ppm; 3.90 A): 5 out of 9 assignments used, quality = 1.00: * HD3 LYS 40 + H LYS 40 OK 95 100 95 100 4.2-5.4 3.5/1783=61, 3.5/1795=60...(24) HD2 LYS 40 + H LYS 40 OK 90 100 90 99 4.5-5.5 3.5/1783=61, 3.5/1795=60...(24) HG3 LYS 39 + H LYS 40 OK 86 87 100 99 2.5-4.6 3.0/6621=68, 3.0/6620=65...(25) HB2 LEU 38 + H LYS 40 OK 78 99 85 93 4.8-5.4 3.8/6616=46...(12) HG LEU 38 + H LYS 40 OK 28 100 35 80 4.5-7.3 5.3/6616=31, 3.7/6617=25...(14) HG3 LYS 66 - H LYS 40 far 0 81 0 - 8.2-13.1 HG3 LYS 33 - H LYS 40 far 0 59 0 - 8.4-9.9 HG2 LYS 66 - H LYS 40 far 0 84 0 - 9.1-13.8 HG13 ILE 76 - H LYS 40 far 0 79 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6637 from nnoeabs.peaks (7.82, 7.63, 118.27 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + H LYS 40 OK 100 100 100 100 2.5-2.9 6644=100, 1805/1795=41...(28) HE ARG 30 - H LYS 40 far 0 70 0 - 7.8-12.7 Violated in 0 structures by 0.00 A. Peak 6638 from nnoeabs.peaks (7.96, 7.63, 118.27 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + H LYS 40 OK 100 100 100 100 3.9-4.1 6659/6644=79...(19) H LEU 70 - H LYS 40 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 6639 from nnoeabs.peaks (7.82, 7.82, 117.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 41 + H TYR 41 OK 100 100 - 100 Peak 6640 from nnoeabs.peaks (3.71, 7.82, 117.81 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 37 + H TYR 41 OK 100 100 100 100 3.1-4.5 6615/6644=69...(19) HA LEU 42 + H TYR 41 OK 98 100 100 98 5.1-5.4 3.0/6659=80, 3.6/6683=50...(11) Violated in 0 structures by 0.00 A. Peak 6641 from nnoeabs.peaks (3.87, 7.82, 117.81 ppm; 3.55 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 40 + H TYR 41 OK 99 99 100 100 3.5-3.6 3.6=98, 2.9/6644=60...(26) * HA LEU 38 + H TYR 41 OK 98 100 100 98 3.2-4.2 1623=43, 1890/6656=37...(22) HA GLU 43 - H TYR 41 far 0 99 0 - 6.7-7.1 HA GLU 35 - H TYR 41 far 0 98 0 - 7.3-8.3 HA ALA 67 - H TYR 41 far 0 92 0 - 7.8-8.8 HA ALA 71 - H TYR 41 far 0 81 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 6642 from nnoeabs.peaks (8.08, 7.82, 117.81 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + H TYR 41 OK 100 100 100 100 4.2-4.6 6618/6644=86, 6613=71...(23) Violated in 0 structures by 0.00 A. Peak 6643 from nnoeabs.peaks (3.61, 7.82, 117.81 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H TYR 41 OK 100 100 100 100 4.2-4.9 3.6/6644=91...(20) Violated in 0 structures by 0.00 A. Peak 6644 from nnoeabs.peaks (7.63, 7.82, 117.81 ppm; 3.28 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + H TYR 41 OK 100 100 100 100 2.5-2.9 6637=94, 1795/1805=39...(28) H GLU 44 - H TYR 41 far 0 75 0 - 4.8-5.5 Violated in 0 structures by 0.00 A. Peak 6645 from nnoeabs.peaks (3.86, 7.82, 117.81 ppm; 3.55 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 40 + H TYR 41 OK 100 100 100 100 3.5-3.6 3.6=98, 2.9/6644=60...(26) HA LEU 38 + H TYR 41 OK 97 99 100 98 3.2-4.2 1623=43, 1890/6656=37...(22) HA GLU 43 - H TYR 41 far 0 94 0 - 6.7-7.1 HA GLU 35 - H TYR 41 far 0 90 0 - 7.3-8.3 HA ALA 67 - H TYR 41 far 0 99 0 - 7.8-8.8 HA ALA 71 - H TYR 41 far 0 93 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 6646 from nnoeabs.peaks (1.65, 7.82, 117.81 ppm; 3.27 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 40 + H TYR 41 OK 99 100 100 99 3.5-3.9 1793=58, 1.8/1805=55...(21) HB3 LYS 40 + H TYR 41 OK 62 63 100 98 2.2-2.8 1.8/1793=52, 4.3=42...(22) HD2 LYS 39 - H TYR 41 far 0 99 0 - 4.8-8.2 HD3 LYS 39 - H TYR 41 far 0 100 0 - 5.7-8.0 HB3 LEU 6 - H TYR 41 far 0 100 0 - 8.0-8.8 HB ILE 76 - H TYR 41 far 0 100 0 - 9.1-10.0 HD2 LYS 47 - H TYR 41 far 0 70 0 - 9.5-12.6 HD3 LYS 47 - H TYR 41 far 0 68 0 - 9.5-12.5 HG3 LYS 47 - H TYR 41 far 0 87 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 6647 from nnoeabs.peaks (1.68, 7.82, 117.81 ppm; 3.31 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 40 + H TYR 41 OK 99 100 100 99 2.2-2.8 1805=66, 1.8/1793=54...(24) HB2 LYS 40 + H TYR 41 OK 62 63 100 98 3.5-3.9 1.8/1805=57, 4.3=44...(20) HD2 LYS 39 - H TYR 41 far 4 79 5 - 4.8-8.2 HB3 LEU 70 - H TYR 41 far 0 73 0 - 7.0-8.3 HB3 LEU 6 - H TYR 41 far 0 68 0 - 8.0-8.8 HG LEU 70 - H TYR 41 far 0 96 0 - 8.3-9.6 HB ILE 76 - H TYR 41 far 0 59 0 - 9.1-10.0 HD2 LYS 47 - H TYR 41 far 0 100 0 - 9.5-12.6 HD3 LYS 47 - H TYR 41 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 6648 from nnoeabs.peaks (1.16, 7.82, 117.81 ppm; 4.64 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 40 + H TYR 41 OK 100 100 100 100 3.5-4.6 1816=84, 2.9/1805=79...(21) HB2 LEU 6 - H TYR 41 far 0 90 0 - 7.2-8.4 QG2 THR 34 - H TYR 41 far 0 95 0 - 7.9-9.0 QG2 THR 31 - H TYR 41 far 0 95 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 6649 from nnoeabs.peaks (1.36, 7.82, 117.81 ppm; 4.64 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 40 + H TYR 41 OK 100 100 100 100 3.9-4.9 2.9/1805=79, 1.8/6648=79...(18) HG2 LYS 39 + H TYR 41 OK 67 97 70 98 4.6-7.3 3.9/6643=47...(17) HB3 ARG 30 - H TYR 41 far 0 98 0 - 6.3-7.7 QB ALA 67 - H TYR 41 far 0 90 0 - 6.6-7.7 HB2 LEU 70 - H TYR 41 far 0 99 0 - 7.2-8.3 HG12 ILE 8 - H TYR 41 far 0 100 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 6650 from nnoeabs.peaks (1.46, 7.82, 117.81 ppm; 4.51 A): 5 out of 8 assignments used, quality = 1.00: HD3 LYS 40 + H TYR 41 OK 100 100 100 100 3.8-5.5 3.5/1805=68, 3.5/1793=67...(16) HB2 LEU 38 + H TYR 41 OK 97 99 100 98 5.3-5.9 3.0/1623=61, 3.8/8884=47...(16) HG3 LYS 39 + H TYR 41 OK 68 88 80 97 4.9-6.4 3.9/6643=44...(15) * HD2 LYS 40 + H TYR 41 OK 55 100 55 100 2.9-6.4 3.5/1805=68, 3.5/1793=67...(16) HG LEU 38 + H TYR 41 OK 38 100 40 95 5.2-7.6 3.7/1623=53, 2.1/8868=38...(18) HG13 ILE 76 - H TYR 41 far 0 81 0 - 9.6-10.4 HG2 LYS 47 - H TYR 41 far 0 82 0 - 9.7-13.6 HG3 LYS 66 - H TYR 41 far 0 79 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 6651 from nnoeabs.peaks (1.47, 7.82, 117.81 ppm; 4.51 A): 5 out of 9 assignments used, quality = 1.00: * HD3 LYS 40 + H TYR 41 OK 100 100 100 100 3.8-5.5 3.5/1805=68, 3.5/1793=67...(16) HB2 LEU 38 + H TYR 41 OK 97 99 100 98 5.3-5.9 3.0/1623=61, 3.8/8884=47...(16) HG3 LYS 39 + H TYR 41 OK 67 87 80 96 4.9-6.4 3.9/6643=44...(15) HD2 LYS 40 + H TYR 41 OK 55 100 55 100 2.9-6.4 3.5/1805=68, 3.5/1793=67...(16) HG LEU 38 + H TYR 41 OK 38 100 40 95 5.2-7.6 3.7/1623=53, 2.1/8868=38...(18) HG3 LYS 33 - H TYR 41 far 0 59 0 - 8.2-9.4 HG13 ILE 76 - H TYR 41 far 0 79 0 - 9.6-10.4 HG2 LYS 47 - H TYR 41 far 0 84 0 - 9.7-13.6 HG3 LYS 66 - H TYR 41 far 0 81 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 6654 from nnoeabs.peaks (3.93, 7.82, 117.81 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + H TYR 41 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 44 - H TYR 41 far 0 99 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 6655 from nnoeabs.peaks (2.31, 7.82, 117.81 ppm; 3.59 A): 1 out of 4 assignments used, quality = 0.99: * HB2 TYR 41 + H TYR 41 OK 99 100 100 99 2.3-2.8 1.8/6656=80, 4.0=72...(16) HG3 GLU 43 - H TYR 41 far 0 99 0 - 5.2-6.4 HG3 GLU 44 - H TYR 41 far 0 59 0 - 5.4-8.2 HB2 TYR 4 - H TYR 41 far 0 88 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6656 from nnoeabs.peaks (2.64, 7.82, 117.81 ppm; 3.32 A): 1 out of 3 assignments used, quality = 0.98: * HB3 TYR 41 + H TYR 41 OK 98 100 100 98 3.6-3.6 1.8/6655=63, 4.0=57...(18) HD2 ARG 30 - H TYR 41 far 0 68 0 - 6.0-8.8 HG3 MET 74 - H TYR 41 far 0 96 0 - 6.6-9.3 Violated in 20 structures by 0.26 A. Peak 6657 from nnoeabs.peaks (6.83, 7.82, 117.81 ppm; 3.72 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 41 + H TYR 41 OK 100 100 100 100 1.8-2.9 2.5/6656=72, 2.5/6655=66...(35) QE TYR 41 + H TYR 41 OK 84 87 100 96 4.0-4.4 4.4/6656=42, 4.4/6655=39...(25) Violated in 0 structures by 0.00 A. Peak 6659 from nnoeabs.peaks (7.96, 7.82, 117.81 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + H TYR 41 OK 100 100 100 100 2.5-2.9 6666=96, 4.1/6656=37...(20) H LEU 70 - H TYR 41 far 0 100 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 6660 from nnoeabs.peaks (8.19, 7.82, 117.81 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 43 + H TYR 41 OK 100 100 100 100 4.0-4.4 6683=100, 6685/6659=82...(19) H ASP 36 - H TYR 41 far 0 99 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 6661 from nnoeabs.peaks (7.96, 7.96, 115.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + H LEU 42 OK 100 100 - 100 Peak 6662 from nnoeabs.peaks (3.87, 7.96, 115.96 ppm; 4.05 A): 3 out of 7 assignments used, quality = 1.00: HA LYS 40 + H LEU 42 OK 98 99 100 98 3.9-4.4 3.6/6659=63, 2.9/6638=52...(16) HA GLU 43 + H LEU 42 OK 97 99 100 98 4.9-5.2 2.9/6685=72, 3.6/6702=43...(14) * HA LEU 38 + H LEU 42 OK 97 100 100 97 3.8-4.9 1623/6659=46...(16) HA ALA 71 - H LEU 42 far 0 81 0 - 5.9-6.8 HA ALA 67 - H LEU 42 far 0 92 0 - 7.0-8.3 HA GLU 35 - H LEU 42 far 0 98 0 - 8.0-9.3 HB3 SER 49 - H LEU 42 far 0 95 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 6663 from nnoeabs.peaks (3.61, 7.96, 115.96 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LEU 42 OK 100 100 100 100 3.2-3.7 1677=76, 8953/6676=53...(17) Violated in 0 structures by 0.00 A. Peak 6664 from nnoeabs.peaks (7.63, 7.96, 115.96 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 40 + H LEU 42 OK 100 100 100 100 3.9-4.1 6638=95, 6644/6659=77...(19) H GLU 44 + H LEU 42 OK 75 75 100 99 4.0-4.4 4.6/6685=56, 6702=54...(21) H GLU 48 - H LEU 42 far 0 95 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 6665 from nnoeabs.peaks (3.86, 7.96, 115.96 ppm; 4.05 A): 3 out of 7 assignments used, quality = 1.00: * HA LYS 40 + H LEU 42 OK 98 100 100 98 3.9-4.4 3.6/6659=63, 2.9/6638=52...(16) HA LEU 38 + H LEU 42 OK 96 99 100 97 3.8-4.9 1623/6659=45...(16) HA GLU 43 + H LEU 42 OK 92 94 100 98 4.9-5.2 2.9/6685=72, 3.6/6702=43...(14) HA ALA 71 - H LEU 42 far 0 93 0 - 5.9-6.8 HA ALA 67 - H LEU 42 far 0 99 0 - 7.0-8.3 HA GLU 35 - H LEU 42 far 0 90 0 - 8.0-9.3 HB3 SER 49 - H LEU 42 far 0 99 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 6666 from nnoeabs.peaks (7.82, 7.96, 115.96 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 41 + H LEU 42 OK 100 100 100 100 2.5-2.9 6659=100, 6656/4.1=38...(20) HE ARG 30 - H LEU 42 far 0 70 0 - 5.6-11.0 H LYS 73 - H LEU 42 far 0 94 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 6667 from nnoeabs.peaks (3.93, 7.96, 115.96 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + H LEU 42 OK 100 100 100 100 3.5-3.5 3.6=100 HA GLU 44 - H LEU 42 far 0 99 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 6668 from nnoeabs.peaks (2.31, 7.96, 115.96 ppm; 3.89 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + H LEU 42 OK 99 100 100 99 2.7-3.1 4.1=83, 1.8/6669=63...(12) HG3 GLU 43 + H LEU 42 OK 96 99 100 97 4.0-4.8 6696/6685=57...(15) HG3 GLU 44 - H LEU 42 far 6 59 10 - 5.0-8.0 HB2 TYR 4 - H LEU 42 far 0 88 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 6669 from nnoeabs.peaks (2.64, 7.96, 115.96 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.98: * HB3 TYR 41 + H LEU 42 OK 98 100 100 98 3.6-4.0 4.1=72, 6656/6659=57...(16) HG3 MET 74 + H LEU 42 OK 25 96 35 74 4.7-6.9 3.4/9587=29...(10) HD2 ARG 30 - H LEU 42 far 0 68 0 - 7.5-9.3 Violated in 9 structures by 0.07 A. Peak 6670 from nnoeabs.peaks (6.83, 7.96, 115.96 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * QD TYR 41 + H LEU 42 OK 100 100 100 100 4.2-4.3 4.6=100 QE TYR 41 - H LEU 42 poor 20 87 25 92 6.0-6.5 4.4/6669=47...(11) Violated in 0 structures by 0.00 A. Peak 6672 from nnoeabs.peaks (3.70, 7.96, 115.96 ppm; 3.58 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H LEU 42 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLU 37 - H LEU 42 far 0 100 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 6673 from nnoeabs.peaks (1.81, 7.96, 115.96 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 42 + H LEU 42 OK 100 100 100 100 2.4-2.9 1.8/6674=60, 4.0=58...(26) HB2 LYS 39 - H LEU 42 far 0 99 0 - 5.4-5.9 HG2 ARG 46 - H LEU 42 far 0 94 0 - 5.6-8.1 HG3 ARG 46 - H LEU 42 far 0 92 0 - 6.4-9.4 HB VAL 78 - H LEU 42 far 0 82 0 - 6.9-8.5 Violated in 0 structures by 0.00 A. Peak 6674 from nnoeabs.peaks (1.30, 7.96, 115.96 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + H LEU 42 OK 100 100 100 100 3.5-3.6 1.8/6673=83, 4.0=79...(26) QB ALA 67 - H LEU 42 far 0 70 0 - 6.0-7.2 HG2 ARG 30 - H LEU 42 far 0 99 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 6675 from nnoeabs.peaks (1.90, 7.96, 115.96 ppm; 3.08 A): 1 out of 4 assignments used, quality = 0.99: * HG LEU 42 + H LEU 42 OK 99 100 100 99 1.8-2.4 1927=51, 2.1/6676=50...(23) HB2 GLU 43 - H LEU 42 far 0 99 0 - 4.6-6.0 HB3 LYS 39 - H LEU 42 far 0 70 0 - 4.9-5.6 HB VAL 54 - H LEU 42 far 0 99 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 6676 from nnoeabs.peaks (0.69, 7.96, 115.96 ppm; 3.59 A): 1 out of 11 assignments used, quality = 1.00: * QD1 LEU 42 + H LEU 42 OK 100 100 100 100 3.0-3.6 2.1/6675=79, 3.1/6673=58...(29) QD2 LEU 6 - H LEU 42 far 10 100 10 - 4.1-6.2 QG2 VAL 54 - H LEU 42 far 0 70 0 - 5.4-6.8 QD1 ILE 56 - H LEU 42 far 0 93 0 - 5.6-7.8 QG2 VAL 78 - H LEU 42 far 0 71 0 - 6.6-7.7 QD1 ILE 52 - H LEU 42 far 0 100 0 - 6.9-8.1 HG13 ILE 56 - H LEU 42 far 0 84 0 - 7.1-8.6 QD1 ILE 8 - H LEU 42 far 0 91 0 - 7.3-8.7 QD1 LEU 29 - H LEU 42 far 0 68 0 - 9.3-11.8 QG1 VAL 58 - H LEU 42 far 0 73 0 - 9.6-10.6 QG1 VAL 5 - H LEU 42 far 0 61 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 6677 from nnoeabs.peaks (0.77, 7.96, 115.96 ppm; 3.44 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 42 + H LEU 42 OK 100 100 100 100 2.4-3.8 2.1/6675=74, 2.1/6676=63...(21) QD1 LEU 6 + H LEU 42 OK 60 100 80 75 3.8-5.7 8227/4.1=21, 8228/4.1=18...(13) QD1 ILE 76 + H LEU 42 OK 56 70 100 80 4.1-4.6 10878/3.0=22...(17) QG1 VAL 54 - H LEU 42 far 15 100 15 - 4.8-6.2 QG1 VAL 78 - H LEU 42 far 0 91 0 - 5.2-6.4 QG2 ILE 52 - H LEU 42 far 0 98 0 - 7.7-10.5 QG2 ILE 8 - H LEU 42 far 0 92 0 - 9.4-10.7 Violated in 4 structures by 0.01 A. Peak 6678 from nnoeabs.peaks (8.19, 7.96, 115.96 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 43 + H LEU 42 OK 100 100 100 100 2.3-2.6 6685=100, 6688/6674=36...(20) H ASP 36 - H LEU 42 far 0 99 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 6679 from nnoeabs.peaks (7.60, 7.96, 115.96 ppm; 4.34 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 44 + H LEU 42 OK 100 100 100 100 4.0-4.4 6702=74, 6704/6685=73...(20) H LYS 40 + H LEU 42 OK 75 75 100 99 3.9-4.1 3.6/6663=60, 6638=59...(18) H GLU 48 - H LEU 42 far 0 97 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 6680 from nnoeabs.peaks (8.19, 8.19, 117.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 43 + H GLU 43 OK 100 100 - 100 Peak 6681 from nnoeabs.peaks (3.61, 8.19, 117.17 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H GLU 43 OK 100 100 100 100 3.5-4.5 10557=76, 6663/6685=68...(15) Violated in 0 structures by 0.00 A. Peak 6682 from nnoeabs.peaks (3.86, 8.19, 117.17 ppm; 3.22 A): 2 out of 7 assignments used, quality = 1.00: HA GLU 43 + H GLU 43 OK 94 94 100 100 2.7-2.8 2.9=100 * HA LYS 40 + H GLU 43 OK 93 100 100 93 3.2-3.7 1779=33, 3.0/10610=27...(19) HA ALA 71 - H GLU 43 far 0 93 0 - 6.1-7.1 HA LEU 38 - H GLU 43 far 0 99 0 - 6.1-7.2 HB3 SER 49 - H GLU 43 far 0 99 0 - 8.5-12.9 HA ALA 67 - H GLU 43 far 0 99 0 - 8.6-10.1 HA GLU 35 - H GLU 43 far 0 90 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6683 from nnoeabs.peaks (7.82, 8.19, 117.17 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 41 + H GLU 43 OK 100 100 100 100 4.0-4.4 6660=98, 6659/6685=81...(19) HE ARG 30 - H GLU 43 far 0 70 0 - 7.3-13.0 H LYS 73 - H GLU 43 far 0 94 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 6684 from nnoeabs.peaks (3.93, 8.19, 117.17 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HA TYR 41 + H GLU 43 OK 98 100 100 98 4.2-4.9 3.6/6685=61, 3.0/6683=48...(12) HA GLU 44 + H GLU 43 OK 94 99 100 95 5.2-5.5 3.0/6704=71, 3.6/6698=52...(7) Violated in 20 structures by 0.27 A. Peak 6685 from nnoeabs.peaks (7.96, 8.19, 117.17 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + H GLU 43 OK 100 100 100 100 2.3-2.6 6678=99, 6674/6688=36...(20) H LEU 70 - H GLU 43 far 0 100 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 6686 from nnoeabs.peaks (3.70, 8.19, 117.17 ppm; 4.32 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H GLU 43 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 37 - H GLU 43 far 0 100 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 6687 from nnoeabs.peaks (1.81, 8.19, 117.17 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 42 + H GLU 43 OK 100 100 100 100 2.4-2.9 1.8/6688=66...(19) HG2 ARG 46 + H GLU 43 OK 50 94 60 89 3.8-6.2 10172/2.9=27, ~10171=22...(19) HG3 ARG 46 - H GLU 43 far 5 92 5 - 4.6-7.1 HB2 LYS 39 - H GLU 43 far 0 99 0 - 5.4-6.4 HB VAL 78 - H GLU 43 far 0 82 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 6688 from nnoeabs.peaks (1.30, 8.19, 117.17 ppm; 4.06 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + H GLU 43 OK 100 100 100 100 3.5-4.1 4.6=67, 6674/6685=61...(21) QB ALA 67 - H GLU 43 far 0 70 0 - 7.6-8.9 HG2 ARG 30 - H GLU 43 far 0 99 0 - 8.6-10.2 Violated in 3 structures by 0.00 A. Peak 6689 from nnoeabs.peaks (1.90, 8.19, 117.17 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: HB2 GLU 43 + H GLU 43 OK 98 99 100 99 2.5-3.6 1.8/6694=73, 1962=72...(18) * HG LEU 42 + H GLU 43 OK 98 100 100 98 3.5-4.4 6675/6685=47...(19) HB3 LYS 39 - H GLU 43 poor 14 70 30 68 4.6-5.7 3.0/6681=31, 3010=18...(10) HB VAL 54 - H GLU 43 far 0 99 0 - 7.7-9.5 HB3 LYS 47 - H GLU 43 far 0 81 0 - 8.3-9.8 Violated in 14 structures by 0.10 A. Peak 6690 from nnoeabs.peaks (0.69, 8.19, 117.17 ppm; 4.47 A): 1 out of 8 assignments used, quality = 1.00: * QD1 LEU 42 + H GLU 43 OK 100 100 100 100 3.9-4.4 6676/6685=72...(21) QG2 VAL 54 - H GLU 43 far 10 70 15 - 5.9-7.3 QD2 LEU 6 - H GLU 43 far 0 100 0 - 6.1-7.8 QD1 ILE 52 - H GLU 43 far 0 100 0 - 6.3-7.7 QD1 ILE 56 - H GLU 43 far 0 93 0 - 7.3-9.3 QG2 VAL 78 - H GLU 43 far 0 71 0 - 7.6-8.6 HG13 ILE 56 - H GLU 43 far 0 84 0 - 9.1-10.6 QD1 ILE 8 - H GLU 43 far 0 91 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 6691 from nnoeabs.peaks (0.77, 8.19, 117.17 ppm; 4.29 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + H GLU 43 OK 100 100 100 100 4.2-4.9 1944/3.6=72, 2.1/6690=69...(17) QD1 ILE 76 + H GLU 43 OK 67 70 100 96 3.1-4.0 10878/3.6=31...(26) QG1 VAL 78 - H GLU 43 far 5 91 5 - 5.7-6.9 QD1 LEU 6 - H GLU 43 far 0 100 0 - 5.9-7.5 QG1 VAL 54 - H GLU 43 far 0 100 0 - 6.0-7.4 QG2 ILE 52 - H GLU 43 far 0 98 0 - 7.2-9.9 Violated in 0 structures by 0.00 A. Peak 6692 from nnoeabs.peaks (3.88, 8.19, 117.17 ppm; 3.38 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 43 + H GLU 43 OK 100 100 100 100 2.7-2.8 2.9=100 HA LYS 40 + H GLU 43 OK 89 94 100 95 3.2-3.7 1779=35, 3.0/10610=31...(19) HA ALA 71 - H GLU 43 far 0 63 0 - 6.1-7.1 HA LEU 38 - H GLU 43 far 0 99 0 - 6.1-7.2 HB3 SER 49 - H GLU 43 far 0 84 0 - 8.5-12.9 HA ALA 67 - H GLU 43 far 0 79 0 - 8.6-10.1 HA GLU 35 - H GLU 43 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 6693 from nnoeabs.peaks (1.91, 8.19, 117.17 ppm; 3.26 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 43 + H GLU 43 OK 99 100 100 99 2.5-3.6 1.8/6694=73, 1962=73...(18) HG LEU 42 + H GLU 43 OK 96 99 100 97 3.5-4.4 6675/6685=46...(19) HB VAL 54 - H GLU 43 far 0 91 0 - 7.7-9.5 HB3 LYS 47 - H GLU 43 far 0 94 0 - 8.3-9.8 Violated in 14 structures by 0.10 A. Peak 6694 from nnoeabs.peaks (2.06, 8.19, 117.17 ppm; 3.15 A): 1 out of 4 assignments used, quality = 0.98: * HB3 GLU 43 + H GLU 43 OK 98 100 100 98 2.4-3.6 1.8/1962=56, 4.0=48...(17) HB2 MET 74 - H GLU 43 far 0 100 0 - 4.7-6.1 HB3 LEU 38 - H GLU 43 far 0 99 0 - 6.5-9.0 HB3 GLU 48 - H GLU 43 far 0 95 0 - 8.9-12.2 Violated in 1 structures by 0.02 A. Peak 6695 from nnoeabs.peaks (2.19, 8.19, 117.17 ppm; 3.81 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 43 + H GLU 43 OK 100 100 100 100 2.7-3.2 1.8/6696=81, 3.0/6694=69...(19) HG3 GLU 35 - H GLU 43 far 0 99 0 - 9.2-11.9 HG2 GLU 35 - H GLU 43 far 0 99 0 - 9.3-11.9 HG3 GLU 75 - H GLU 43 far 0 97 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 6696 from nnoeabs.peaks (2.32, 8.19, 117.17 ppm; 3.56 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 43 + H GLU 43 OK 100 100 100 100 2.1-2.6 1.8/6695=66, 3.0/6694=62...(26) HG3 GLU 44 - H GLU 43 far 11 75 15 - 4.5-6.7 HB2 TYR 41 - H GLU 43 far 10 99 10 - 5.0-5.3 HB2 TYR 4 - H GLU 43 far 0 75 0 - 9.0-10.2 HG2 GLU 48 - H GLU 43 far 0 99 0 - 9.3-10.5 HB2 GLU 48 - H GLU 43 far 0 87 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 6697 from nnoeabs.peaks (7.60, 8.19, 117.17 ppm; 3.36 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 44 + H GLU 43 OK 100 100 100 100 2.6-2.9 6704=98, 6707/6694=50...(20) H LYS 40 + H GLU 43 OK 66 75 100 88 4.5-4.8 3.6/6681=30, 2.9/6682=28...(12) H GLU 48 - H GLU 43 far 0 97 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 6698 from nnoeabs.peaks (8.26, 8.19, 117.17 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.97: * H PHE 45 + H GLU 43 OK 97 100 100 97 4.1-4.3 6722/6704=66...(12) H ALA 71 - H GLU 43 far 0 100 0 - 7.8-8.8 Violated in 20 structures by 0.15 A. Peak 6699 from nnoeabs.peaks (7.60, 7.60, 120.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 44 + H GLU 44 OK 100 100 - 100 Peak 6700 from nnoeabs.peaks (3.86, 7.60, 120.47 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.99: HA GLU 43 + H GLU 44 OK 94 94 100 100 3.5-3.6 3.6=100 * HA LYS 40 + H GLU 44 OK 90 100 100 90 3.5-4.9 6682/6704=29...(16) HA LEU 38 - H GLU 44 far 0 99 0 - 7.7-8.9 HB3 SER 49 - H GLU 44 far 0 99 0 - 8.3-11.9 HA ALA 71 - H GLU 44 far 0 93 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 6701 from nnoeabs.peaks (3.93, 7.60, 120.47 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 44 + H GLU 44 OK 99 99 100 100 2.7-2.8 3.0=100 * HA TYR 41 + H GLU 44 OK 92 100 100 92 3.7-4.1 10584/6722=26...(19) Violated in 0 structures by 0.00 A. Peak 6702 from nnoeabs.peaks (7.96, 7.60, 120.47 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + H GLU 44 OK 100 100 100 100 4.0-4.4 6685/6704=83...(21) Violated in 0 structures by 0.00 A. Peak 6703 from nnoeabs.peaks (3.70, 7.60, 120.47 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + H GLU 44 OK 100 100 100 100 4.1-4.7 3.6/6704=84...(17) HA GLU 37 - H GLU 44 far 0 100 0 - 7.4-9.4 Violated in 0 structures by 0.00 A. Peak 6704 from nnoeabs.peaks (8.19, 7.60, 120.47 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 43 + H GLU 44 OK 100 100 100 100 2.6-2.9 6697=60, 6694/6707=50...(20) Violated in 0 structures by 0.00 A. Peak 6705 from nnoeabs.peaks (3.88, 7.60, 120.47 ppm; 3.42 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 43 + H GLU 44 OK 100 100 100 100 3.5-3.6 3.6=88, 2.9/6704=54...(14) HA LYS 40 + H GLU 44 OK 75 94 95 84 3.5-4.9 1957=25, 6692/6704=23...(16) HA LEU 38 - H GLU 44 far 0 99 0 - 7.7-8.9 HB3 SER 49 - H GLU 44 far 0 84 0 - 8.3-11.9 HA ALA 71 - H GLU 44 far 0 63 0 - 8.6-9.6 Violated in 13 structures by 0.02 A. Peak 6706 from nnoeabs.peaks (1.91, 7.60, 120.47 ppm; 3.57 A): 1 out of 4 assignments used, quality = 0.99: * HB2 GLU 43 + H GLU 44 OK 99 100 100 99 2.4-3.7 1.8/6707=78, 1968=70...(11) HG LEU 42 - H GLU 44 far 0 99 0 - 5.8-6.2 HB3 LYS 47 - H GLU 44 far 0 94 0 - 6.4-7.7 HB VAL 54 - H GLU 44 far 0 91 0 - 8.8-9.9 Violated in 12 structures by 0.05 A. Peak 6707 from nnoeabs.peaks (2.06, 7.60, 120.47 ppm; 3.37 A): 1 out of 4 assignments used, quality = 0.98: * HB3 GLU 43 + H GLU 44 OK 98 100 100 98 2.4-3.4 1.8/6706=65, 1976=64...(13) HB2 MET 74 - H GLU 44 far 0 100 0 - 6.8-8.3 HB3 GLU 48 - H GLU 44 far 0 95 0 - 6.9-10.8 HB3 LEU 38 - H GLU 44 far 0 99 0 - 8.7-11.0 Violated in 1 structures by 0.00 A. Peak 6708 from nnoeabs.peaks (2.19, 7.60, 120.47 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 43 + H GLU 44 OK 100 100 100 100 4.5-4.7 3.0/6706=87...(14) Violated in 0 structures by 0.00 A. Peak 6709 from nnoeabs.peaks (2.32, 7.60, 120.47 ppm; 4.14 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 43 + H GLU 44 OK 100 100 100 100 4.2-4.6 3.0/6707=74, 3.0/6706=70...(17) HG3 GLU 44 + H GLU 44 OK 75 75 100 100 2.2-3.9 1.8/6713=84, 4.8=65...(20) HB2 TYR 41 - H GLU 44 far 0 99 0 - 5.7-6.2 HG2 GLU 48 - H GLU 44 far 0 99 0 - 7.3-9.4 HB2 GLU 48 - H GLU 44 far 0 87 0 - 8.6-10.6 HB2 TYR 4 - H GLU 44 far 0 75 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 6710 from nnoeabs.peaks (3.94, 7.60, 120.47 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 44 + H GLU 44 OK 100 100 100 100 2.7-2.8 3.0=100 HA TYR 41 + H GLU 44 OK 90 99 100 92 3.7-4.1 10584/6722=26...(19) Violated in 0 structures by 0.00 A. Peak 6711 from nnoeabs.peaks (2.00, 7.60, 120.47 ppm; 2.80 A): 2 out of 7 assignments used, quality = 1.00: * HB2 GLU 44 + H GLU 44 OK 96 100 100 96 2.2-3.6 3.9=36, 3.0/6713=30...(22) HB3 GLU 44 + H GLU 44 OK 93 100 100 93 2.1-3.6 3.9=36, 3.0/6713=30...(19) HB2 ARG 46 - H GLU 44 far 0 84 0 - 5.0-7.0 HB2 LYS 47 - H GLU 44 far 0 73 0 - 5.2-8.5 QE MET 74 - H GLU 44 far 0 100 0 - 5.3-6.4 HB3 MET 74 - H GLU 44 far 0 61 0 - 6.6-8.2 HB2 GLU 37 - H GLU 44 far 0 88 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 6712 from nnoeabs.peaks (2.00, 7.60, 120.47 ppm; 2.80 A): 2 out of 7 assignments used, quality = 1.00: HB2 GLU 44 + H GLU 44 OK 96 100 100 96 2.2-3.6 3.9=36, 3.0/6713=30...(22) * HB3 GLU 44 + H GLU 44 OK 93 100 100 93 2.1-3.6 3.9=36, 3.0/6713=30...(19) HB2 ARG 46 - H GLU 44 far 0 84 0 - 5.0-7.0 HB2 LYS 47 - H GLU 44 far 0 73 0 - 5.2-8.5 QE MET 74 - H GLU 44 far 0 100 0 - 5.3-6.4 HB3 MET 74 - H GLU 44 far 0 61 0 - 6.6-8.2 HB2 GLU 37 - H GLU 44 far 0 88 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 6713 from nnoeabs.peaks (2.13, 7.60, 120.47 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 44 + H GLU 44 OK 100 100 100 100 1.9-4.0 2017=61, 1995/3.0=61...(22) HB3 GLU 37 - H GLU 44 far 0 99 0 - 8.9-11.4 Violated in 2 structures by 0.02 A. Peak 6714 from nnoeabs.peaks (2.35, 7.60, 120.47 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + H GLU 44 OK 100 100 100 100 2.2-3.9 1.8/6713=74, 1996/3.0=59...(19) HG3 GLU 43 + H GLU 44 OK 74 75 100 99 4.2-4.6 3.0/6707=65, 3.0/6706=61...(16) HB2 TYR 41 - H GLU 44 far 0 59 0 - 5.7-6.2 HG2 GLU 48 - H GLU 44 far 0 92 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 6715 from nnoeabs.peaks (8.26, 7.60, 120.47 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + H GLU 44 OK 100 100 100 100 2.6-2.8 6722=100, 6698/6704=36...(17) Violated in 0 structures by 0.00 A. Peak 6716 from nnoeabs.peaks (8.02, 7.60, 120.47 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + H GLU 44 OK 100 100 100 100 3.9-4.3 6741/6722=86...(15) Violated in 0 structures by 0.00 A. Peak 6717 from nnoeabs.peaks (8.26, 8.26, 119.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H PHE 45 + H PHE 45 OK 100 100 - 100 H ALA 71 + H ALA 71 OK 71 71 - 100 Peak 6718 from nnoeabs.peaks (3.93, 8.26, 119.27 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 44 + H PHE 45 OK 99 99 100 100 3.5-3.5 3.6=100 * HA TYR 41 + H PHE 45 OK 66 100 70 94 4.7-5.6 10584=53, 10583/6698=32...(10) HA GLU 63 - H ALA 71 far 0 66 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 6719 from nnoeabs.peaks (3.70, 8.26, 119.27 ppm; 4.11 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 42 + H PHE 45 OK 100 100 100 100 3.2-3.7 1906=81, 3.6/6698=55...(15) HA LEU 42 - H ALA 71 far 0 71 0 - 7.1-8.4 HB THR 80 - H ALA 71 far 0 54 0 - 7.5-8.9 HA GLU 37 - H PHE 45 far 0 100 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 6720 from nnoeabs.peaks (8.19, 8.26, 119.27 ppm; 5.07 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 43 + H PHE 45 OK 100 100 100 100 4.1-4.3 6698=100, 6704/6722=90...(11) H LYS 68 + H ALA 71 OK 68 70 100 98 4.7-5.3 7116/7155=70...(15) H GLU 43 - H ALA 71 far 0 71 0 - 7.8-8.8 H ASP 36 - H ALA 71 far 0 69 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 6721 from nnoeabs.peaks (3.88, 8.26, 119.27 ppm; 4.17 A): 3 out of 12 assignments used, quality = 0.99: * HA GLU 43 + H PHE 45 OK 98 100 100 98 3.7-4.3 3.6/6722=67, 2.9/6698=64...(12) HA ALA 67 + H ALA 71 OK 44 49 100 89 3.5-4.4 10817/3.6=23...(13) HA ALA 71 + H ALA 71 OK 38 38 100 100 2.7-2.7 3.0=100 HA LYS 40 - H PHE 45 far 0 94 0 - 6.1-7.2 HB3 SER 49 - H PHE 45 far 0 84 0 - 6.2-9.7 HA LEU 38 - H ALA 71 far 0 69 0 - 6.9-8.0 HA GLU 35 - H ALA 71 far 0 71 0 - 7.2-8.2 HA ALA 71 - H PHE 45 far 0 63 0 - 7.9-9.4 HA LEU 38 - H PHE 45 far 0 99 0 - 8.5-9.9 HA GLU 43 - H ALA 71 far 0 71 0 - 8.8-9.9 HA GLU 63 - H ALA 71 far 0 46 0 - 9.3-10.8 HA LYS 40 - H ALA 71 far 0 62 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 6722 from nnoeabs.peaks (7.60, 8.26, 119.27 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 44 + H PHE 45 OK 100 100 100 100 2.6-2.8 6715=100, 6704/6698=36...(17) H GLU 48 - H PHE 45 far 10 97 10 - 4.7-5.8 H LYS 40 - H PHE 45 far 0 75 0 - 7.9-8.6 H LYS 40 - H ALA 71 far 0 46 0 - 8.0-8.9 HE22 GLN 50 - H PHE 45 far 0 90 0 - 9.2-13.8 Violated in 0 structures by 0.00 A. Peak 6723 from nnoeabs.peaks (3.94, 8.26, 119.27 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 44 + H PHE 45 OK 100 100 100 100 3.5-3.5 3.6=100 HA TYR 41 + H PHE 45 OK 65 99 70 93 4.7-5.6 10584=52, 10583/6698=31...(10) HA GLU 63 - H ALA 71 far 0 56 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 6724 from nnoeabs.peaks (2.00, 8.26, 119.27 ppm; 3.21 A): 2 out of 10 assignments used, quality = 0.99: * HB2 GLU 44 + H PHE 45 OK 94 100 100 94 2.7-4.1 2016=37, 3.9/6722=36...(14) HB3 GLU 44 + H PHE 45 OK 89 100 100 89 3.3-4.1 3.9/6722=36, 2016=36...(13) HB2 ARG 46 - H PHE 45 poor 19 84 40 56 4.2-6.0 4.0/6741=34, 4.7/6759=18...(8) QE MET 74 - H ALA 71 poor 18 71 30 86 3.1-6.1 10282/3.6=25...(16) HB2 LYS 47 - H PHE 45 far 0 73 0 - 4.8-7.5 HB3 MET 74 - H ALA 71 far 0 36 0 - 5.3-7.0 QE MET 74 - H PHE 45 far 0 100 0 - 6.0-7.0 HB3 MET 74 - H PHE 45 far 0 61 0 - 6.2-8.3 HB2 GLU 35 - H ALA 71 far 0 70 0 - 8.5-9.9 HB2 ARG 46 - H ALA 71 far 0 53 0 - 8.8-12.1 Violated in 2 structures by 0.01 A. Peak 6725 from nnoeabs.peaks (2.00, 8.26, 119.27 ppm; 3.21 A): 2 out of 10 assignments used, quality = 0.99: HB2 GLU 44 + H PHE 45 OK 94 100 100 94 2.7-4.1 2016=37, 3.9/6722=36...(14) * HB3 GLU 44 + H PHE 45 OK 89 100 100 89 3.3-4.1 3.9/6722=36, 2016=36...(13) HB2 ARG 46 - H PHE 45 poor 19 84 40 56 4.2-6.0 4.0/6741=34, 4.7/6759=18...(8) QE MET 74 - H ALA 71 poor 18 71 30 86 3.1-6.1 10282/3.6=25...(16) HB2 LYS 47 - H PHE 45 far 0 73 0 - 4.8-7.5 HB3 MET 74 - H ALA 71 far 0 36 0 - 5.3-7.0 QE MET 74 - H PHE 45 far 0 100 0 - 6.0-7.0 HB3 MET 74 - H PHE 45 far 0 61 0 - 6.2-8.3 HB2 GLU 35 - H ALA 71 far 0 70 0 - 8.5-9.9 HB2 ARG 46 - H ALA 71 far 0 53 0 - 8.8-12.1 Violated in 2 structures by 0.01 A. Peak 6726 from nnoeabs.peaks (2.13, 8.26, 119.27 ppm; 4.43 A): 3 out of 8 assignments used, quality = 1.00: * HG2 GLU 44 + H PHE 45 OK 100 100 100 100 3.0-5.2 2023=85, 6713/6722=70...(10) HB2 GLU 69 + H ALA 71 OK 67 69 100 96 4.9-5.9 4.6/7155=53...(11) HB3 GLU 69 + H ALA 71 OK 39 69 60 94 4.9-6.3 4.6/7155=53...(10) HG2 GLU 69 - H ALA 71 far 3 69 5 - 5.4-7.0 HB2 GLN 72 - H ALA 71 far 0 49 0 - 6.4-6.5 HB2 GLU 75 - H PHE 45 far 0 100 0 - 9.0-11.7 HG2 GLU 75 - H ALA 71 far 0 36 0 - 9.2-10.4 HB2 GLU 75 - H ALA 71 far 0 71 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 6727 from nnoeabs.peaks (2.35, 8.26, 119.27 ppm; 5.15 A): 5 out of 7 assignments used, quality = 1.00: * HG3 GLU 44 + H PHE 45 OK 100 100 100 100 2.1-5.2 1.8/2023=90, 1996/3.6=83...(12) HG2 GLU 48 + H PHE 45 OK 79 92 90 95 5.4-6.9 10182/3.0=42, ~10620=39...(12) HG3 GLU 43 + H PHE 45 OK 67 75 100 89 5.6-6.2 5.0/6698=59, 3.7/6721=41...(5) HG3 GLU 69 + H ALA 71 OK 61 66 95 96 6.1-6.8 7148/7155=58...(9) HB2 TYR 41 + H PHE 45 OK 25 59 50 83 6.4-7.1 3.0/10584=74...(4) HG3 GLU 43 - H ALA 71 far 0 46 0 - 7.6-8.8 HB2 TYR 41 - H ALA 71 far 0 35 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 6728 from nnoeabs.peaks (4.52, 8.26, 119.27 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + H PHE 45 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6729 from nnoeabs.peaks (2.98, 8.26, 119.27 ppm; 3.24 A): 2 out of 8 assignments used, quality = 1.00: * HB2 PHE 45 + H PHE 45 OK 95 100 100 95 2.6-3.7 3.7=67, 2.5/6731=45...(12) HB3 PHE 45 + H PHE 45 OK 91 96 100 95 2.5-3.6 3.7=67, 2.5/6731=45...(12) HE3 LYS 47 - H PHE 45 far 0 99 0 - 5.1-8.5 HE2 LYS 73 - H ALA 71 far 0 45 0 - 5.5-9.3 HE2 LYS 47 - H PHE 45 far 0 99 0 - 5.9-8.2 HE3 LYS 73 - H ALA 71 far 0 38 0 - 6.8-8.4 HB2 PHE 45 - H ALA 71 far 0 71 0 - 8.9-12.4 HB3 PHE 45 - H ALA 71 far 0 64 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 6730 from nnoeabs.peaks (2.97, 8.26, 119.27 ppm; 3.30 A): 2 out of 8 assignments used, quality = 1.00: * HB3 PHE 45 + H PHE 45 OK 96 100 100 96 2.5-3.6 3.7=70, 2.5/6731=47...(13) HB2 PHE 45 + H PHE 45 OK 92 96 100 96 2.6-3.7 3.7=70, 2.5/6731=47...(12) HE3 LYS 47 - H PHE 45 far 0 100 0 - 5.1-8.5 HE2 LYS 73 - H ALA 71 far 0 64 0 - 5.5-9.3 HE2 LYS 47 - H PHE 45 far 0 100 0 - 5.9-8.2 HE3 LYS 73 - H ALA 71 far 0 59 0 - 6.8-8.4 HB2 PHE 45 - H ALA 71 far 0 64 0 - 8.9-12.4 HB3 PHE 45 - H ALA 71 far 0 71 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 6731 from nnoeabs.peaks (6.66, 8.26, 119.27 ppm; 3.91 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 45 + H PHE 45 OK 100 100 100 100 2.5-3.1 2035/3.0=68, 4.6=63...(19) QD PHE 45 - H ALA 71 far 0 70 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 6732 from nnoeabs.peaks (6.51, 8.26, 119.27 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * QE PHE 45 + H PHE 45 OK 100 100 100 100 4.0-4.4 2.2/6731=99, 9001/3.0=74...(15) QE PHE 45 - H ALA 71 far 0 71 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 6734 from nnoeabs.peaks (8.02, 8.26, 119.27 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 46 + H PHE 45 OK 100 100 100 100 2.2-2.6 6741=100, 6740/3.6=32...(16) H ARG 46 - H ALA 71 far 0 71 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 6735 from nnoeabs.peaks (7.47, 8.26, 119.27 ppm; 5.13 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 47 + H PHE 45 OK 100 100 100 100 3.8-4.7 6759=100, 6761/6741=89...(13) HE22 GLN 72 + H ALA 71 OK 31 46 70 96 5.4-8.1 4.4/10824=44...(13) HE ARG 46 - H PHE 45 poor 15 100 25 59 5.2-8.0 6.8/6741=39...(6) H ILE 52 - H PHE 45 far 0 90 0 - 9.1-10.2 HE ARG 46 - H ALA 71 far 0 71 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 6736 from nnoeabs.peaks (8.02, 8.02, 118.14 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ARG 46 + H ARG 46 OK 100 100 - 100 H GLU 16 + H GLU 16 OK 64 64 - 100 Peak 6737 from nnoeabs.peaks (3.70, 8.02, 118.14 ppm; 4.95 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 42 + H ARG 46 OK 100 100 100 100 4.0-5.0 6719/6741=75...(15) HA LEU 14 + H GLU 16 OK 51 53 100 98 4.0-4.6 3.0/6204=81, 3.6/6222=49...(10) HA LYS 90 - H GLU 16 far 0 37 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 6738 from nnoeabs.peaks (3.88, 8.02, 118.14 ppm; 4.01 A): 3 out of 7 assignments used, quality = 0.99: * HA GLU 43 + H ARG 46 OK 99 100 100 99 2.9-3.4 1958=47, 3.6/6716=40...(18) HA LYS 12 + H GLU 16 OK 43 46 100 94 3.6-4.3 644/652=45, 8446/684=43...(13) HB3 SER 49 + H ARG 46 OK 34 84 50 80 4.3-8.2 2270/3.0=21...(13) HA LYS 40 - H ARG 46 far 0 94 0 - 7.3-8.0 HA ALA 71 - H ARG 46 far 0 63 0 - 7.3-8.9 HA ALA 89 - H GLU 16 far 0 57 0 - 9.3-10.3 HA LEU 38 - H ARG 46 far 0 99 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 6739 from nnoeabs.peaks (7.60, 8.02, 118.14 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 44 + H ARG 46 OK 99 100 100 99 3.9-4.3 6722/6741=73, 6716=67...(14) H GLU 48 + H ARG 46 OK 95 97 100 98 3.9-4.5 6780/6761=72...(18) HE22 GLN 50 - H ARG 46 far 0 90 0 - 7.0-12.9 H LYS 40 - H ARG 46 far 0 75 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 6740 from nnoeabs.peaks (3.94, 8.02, 118.14 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.98: * HA GLU 44 + H ARG 46 OK 98 100 100 98 3.8-4.8 3.6/6741=76...(10) HA TYR 41 - H ARG 46 far 0 99 0 - 6.9-7.6 HB3 SER 9 - H GLU 16 far 0 62 0 - 7.0-9.1 HA ALA 89 - H GLU 16 far 0 36 0 - 9.3-10.3 Violated in 2 structures by 0.02 A. Peak 6741 from nnoeabs.peaks (8.26, 8.02, 118.14 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 45 + H ARG 46 OK 100 100 100 100 2.2-2.6 6734=95, 3.6/6740=31...(15) H ALA 71 - H ARG 46 far 0 100 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 6742 from nnoeabs.peaks (4.52, 8.02, 118.14 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + H ARG 46 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 6743 from nnoeabs.peaks (2.98, 8.02, 118.14 ppm; 3.52 A): 2 out of 11 assignments used, quality = 0.99: * HB2 PHE 45 + H ARG 46 OK 91 100 100 91 2.5-4.2 4.5=49, 3.7/6741=46...(15) HB3 PHE 45 + H ARG 46 OK 87 96 100 91 2.5-4.2 4.5=49, 3.7/6741=46...(15) HE3 LYS 47 - H ARG 46 far 5 99 5 - 4.4-8.1 HE2 LYS 47 - H ARG 46 far 0 99 0 - 5.3-7.6 HB3 ASP 11 - H GLU 16 far 0 62 0 - 5.9-6.4 HE2 LYS 12 - H GLU 16 far 0 50 0 - 6.0-8.4 HE3 LYS 12 - H GLU 16 far 0 57 0 - 6.1-8.7 HE3 LYS 13 - H GLU 16 far 0 49 0 - 6.9-8.5 HB2 SER 9 - H GLU 16 far 0 64 0 - 6.9-9.0 HE2 LYS 13 - H GLU 16 far 0 52 0 - 7.5-8.7 HE2 LYS 33 - H GLU 16 far 0 34 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 6744 from nnoeabs.peaks (2.97, 8.02, 118.14 ppm; 3.54 A): 2 out of 11 assignments used, quality = 0.99: * HB3 PHE 45 + H ARG 46 OK 92 100 100 92 2.5-4.2 4.5=50, 3.7/6741=46...(15) HB2 PHE 45 + H ARG 46 OK 87 96 100 91 2.5-4.2 4.5=50, 3.7/6741=46...(15) HE3 LYS 47 - H ARG 46 far 5 100 5 - 4.4-8.1 HE2 LYS 47 - H ARG 46 far 0 100 0 - 5.3-7.6 HB3 ASP 11 - H GLU 16 far 0 47 0 - 5.9-6.4 HE3 LYS 12 - H GLU 16 far 0 65 0 - 6.1-8.7 HE3 LYS 90 - H GLU 16 far 0 42 0 - 6.8-10.8 HE3 LYS 13 - H GLU 16 far 0 63 0 - 6.9-8.5 HB2 SER 9 - H GLU 16 far 0 50 0 - 6.9-9.0 HE2 LYS 13 - H GLU 16 far 0 64 0 - 7.5-8.7 HG2 MET 21 - H GLU 16 far 0 47 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 6745 from nnoeabs.peaks (6.66, 8.02, 118.14 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + H ARG 46 OK 100 100 100 100 4.2-4.4 4.8=100 Violated in 0 structures by 0.00 A. Peak 6746 from nnoeabs.peaks (6.51, 8.02, 118.14 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + H ARG 46 OK 100 100 100 100 5.8-6.3 9001/3.6=85...(8) Violated in 0 structures by 0.00 A. Peak 6748 from nnoeabs.peaks (4.07, 8.02, 118.14 ppm; 3.44 A): 2 out of 7 assignments used, quality = 1.00: * HA ARG 46 + H ARG 46 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 16 + H GLU 16 OK 44 44 100 100 2.8-2.9 3.0=100 HA GLU 17 - H GLU 16 far 0 54 0 - 5.3-5.4 HB2 SER 49 - H ARG 46 far 0 96 0 - 6.0-9.0 HA PRO 86 - H GLU 16 far 0 58 0 - 6.0-7.1 HA LYS 20 - H GLU 16 far 0 53 0 - 8.7-9.3 HB3 SER 59 - H GLU 16 far 0 34 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 6749 from nnoeabs.peaks (1.97, 8.02, 118.14 ppm; 2.89 A): 2 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + H ARG 46 OK 95 100 100 95 2.1-3.6 4.0=37, 1.8/2077=29...(25) HB3 ARG 46 + H ARG 46 OK 91 96 100 94 2.1-3.6 4.0=37, 1.8/2067=28...(23) HB2 LYS 47 - H ARG 46 far 10 100 10 - 4.2-6.4 HB2 GLU 17 - H GLU 16 far 0 39 0 - 4.7-6.4 HB2 GLU 44 - H ARG 46 far 0 84 0 - 4.8-5.8 HB3 GLU 17 - H GLU 16 far 0 41 0 - 4.8-6.3 HB3 MET 74 - H ARG 46 far 0 98 0 - 4.8-7.0 HB3 GLU 44 - H ARG 46 far 0 84 0 - 5.1-6.1 QE MET 74 - H ARG 46 far 0 82 0 - 5.2-6.8 Violated in 0 structures by 0.00 A. Peak 6750 from nnoeabs.peaks (1.96, 8.02, 118.14 ppm; 2.89 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 46 + H ARG 46 OK 95 100 100 95 2.1-3.6 4.0=37, 1.8/2067=28...(23) HB2 ARG 46 + H ARG 46 OK 91 96 100 95 2.1-3.6 4.0=37, 1.8/2077=29...(23) HB2 LYS 47 - H ARG 46 far 10 99 10 - 4.2-6.4 HB3 LYS 47 - H ARG 46 far 0 68 0 - 4.7-6.2 HB2 GLU 17 - H GLU 16 far 0 57 0 - 4.7-6.4 HB3 ARG 19 - H GLU 16 far 0 43 0 - 4.8-6.8 HB3 MET 74 - H ARG 46 far 0 100 0 - 4.8-7.0 HB3 LYS 20 - H GLU 16 far 0 49 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 6751 from nnoeabs.peaks (1.82, 8.02, 118.14 ppm; 3.53 A): 2 out of 10 assignments used, quality = 1.00: * HG2 ARG 46 + H ARG 46 OK 100 100 100 100 2.0-3.3 1.8/2095=55, 2086=53...(26) HG3 ARG 46 + H ARG 46 OK 61 61 100 99 2.7-4.2 1.8/2086=50, 4.9=37...(24) HB2 LEU 42 - H ARG 46 far 9 94 10 - 4.9-5.8 HB2 LYS 12 - H GLU 16 poor 7 32 85 27 4.5-5.6 3.0/6738=11, 8466/684=4...(7) HB2 LYS 90 - H GLU 16 far 0 61 0 - 7.0-10.2 HB3 LYS 90 - H GLU 16 far 0 63 0 - 7.4-10.0 HB3 LYS 39 - H ARG 46 far 0 63 0 - 8.3-9.8 HB3 LEU 57 - H GLU 16 far 0 65 0 - 8.9-10.0 HB2 LYS 39 - H ARG 46 far 0 82 0 - 9.5-10.7 HB2 LYS 53 - H ARG 46 far 0 96 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 6752 from nnoeabs.peaks (1.79, 8.02, 118.14 ppm; 3.64 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 46 + H ARG 46 OK 100 100 100 100 2.7-4.2 2095=67, 1.8/2086=54...(25) HG2 ARG 46 + H ARG 46 OK 61 61 100 100 2.0-3.3 1.8/2095=59, 4.9=40...(25) HB2 LEU 42 - H ARG 46 poor 18 92 20 - 4.9-5.8 HG3 ARG 19 - H GLU 16 poor 12 47 25 - 4.8-7.8 HB2 LYS 90 - H GLU 16 far 0 49 0 - 7.0-10.2 HB VAL 78 - H ARG 46 far 0 100 0 - 8.2-10.3 HB3 LEU 57 - H GLU 16 far 0 34 0 - 8.9-10.0 HB2 LYS 39 - H ARG 46 far 0 99 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 6753 from nnoeabs.peaks (3.31, 8.02, 118.14 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + H ARG 46 OK 100 100 100 100 4.7-5.2 2104=98, 3.0/2095=87...(22) Violated in 0 structures by 0.00 A. Peak 6754 from nnoeabs.peaks (3.19, 8.02, 118.14 ppm; 4.96 A): 3 out of 4 assignments used, quality = 1.00: * HD3 ARG 46 + H ARG 46 OK 100 100 100 100 4.1-4.7 3.0/2095=80, 3.0/2086=77...(20) HD2 ARG 19 + H GLU 16 OK 34 58 65 90 5.2-7.2 8502/3.0=32...(10) HD3 ARG 19 + H GLU 16 OK 23 58 45 90 4.9-7.2 8502/3.0=32...(10) HB2 ASP 77 - H ARG 46 far 0 96 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 6755 from nnoeabs.peaks (7.47, 8.02, 118.14 ppm; 3.35 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 47 + H ARG 46 OK 100 100 100 100 2.4-3.0 6761=96, 6760/3.6=27...(18) HE ARG 46 + H ARG 46 OK 23 100 25 94 3.7-5.8 3.6/2095=34, 3.6/2086=32...(14) HE ARG 19 - H GLU 16 far 3 55 5 - 4.6-8.9 H ILE 52 - H ARG 46 far 0 90 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 6756 from nnoeabs.peaks (7.47, 7.47, 116.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 47 + H LYS 47 OK 100 100 - 100 Peak 6757 from nnoeabs.peaks (3.88, 7.47, 116.94 ppm; 4.58 A): 2 out of 4 assignments used, quality = 0.99: * HA GLU 43 + H LYS 47 OK 97 100 100 97 3.9-5.1 6738/6761=39, 4012=28...(15) HB3 SER 49 + H LYS 47 OK 61 84 80 91 4.8-7.7 10622/6780=34...(13) HA LYS 40 - H LYS 47 far 0 94 0 - 8.1-9.5 HA ALA 71 - H LYS 47 far 0 63 0 - 9.5-11.3 Violated in 2 structures by 0.01 A. Peak 6758 from nnoeabs.peaks (3.94, 7.47, 116.94 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 44 + H LYS 47 OK 100 100 100 100 3.6-4.4 1998=95, 12089/6773=53...(14) HA TYR 41 - H LYS 47 far 0 99 0 - 8.2-9.4 Violated in 1 structures by 0.01 A. Peak 6759 from nnoeabs.peaks (8.26, 7.47, 116.94 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + H LYS 47 OK 100 100 100 100 3.8-4.7 6741/6761=88...(14) Violated in 0 structures by 0.00 A. Peak 6760 from nnoeabs.peaks (4.52, 7.47, 116.94 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.99: * HA PHE 45 + H LYS 47 OK 99 100 100 99 3.8-4.5 3.6/6761=82...(10) Violated in 0 structures by 0.00 A. Peak 6761 from nnoeabs.peaks (8.02, 7.47, 116.94 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.99: * H ARG 46 + H LYS 47 OK 99 100 100 99 2.4-3.0 6755=81, 3.6/6760=28...(22) Violated in 0 structures by 0.00 A. Peak 6762 from nnoeabs.peaks (4.07, 7.47, 116.94 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + H LYS 47 OK 100 100 100 100 3.4-3.6 3.6=100 HB2 SER 49 - H LYS 47 far 0 96 0 - 5.9-8.5 Violated in 0 structures by 0.00 A. Peak 6763 from nnoeabs.peaks (1.97, 7.47, 116.94 ppm; 3.01 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 47 + H LYS 47 OK 99 100 100 99 2.2-3.6 2134=64, 1.8/2146=52...(25) * HB2 ARG 46 + H LYS 47 OK 84 100 100 84 2.4-4.3 4.0/6761=29, 4.7=27...(14) HB3 ARG 46 + H LYS 47 OK 78 96 100 81 2.6-4.3 4.0/6761=29, 4.7=27...(11) HB3 GLU 44 - H LYS 47 far 0 84 0 - 5.4-6.3 HB2 GLU 44 - H LYS 47 far 0 84 0 - 5.5-6.5 HB3 MET 74 - H LYS 47 far 0 98 0 - 6.4-8.6 QE MET 74 - H LYS 47 far 0 82 0 - 6.5-8.8 Violated in 4 structures by 0.01 A. Peak 6764 from nnoeabs.peaks (1.96, 7.47, 116.94 ppm; 2.90 A): 4 out of 5 assignments used, quality = 1.00: HB2 LYS 47 + H LYS 47 OK 98 99 100 99 2.2-3.6 2134=57, 1.8/2146=48...(25) * HB3 ARG 46 + H LYS 47 OK 78 100 100 78 2.6-4.3 4.0/6761=27, 4.7=24...(12) HB2 ARG 46 + H LYS 47 OK 78 96 100 80 2.4-4.3 4.0/6761=27, 4.7=24...(14) HB3 LYS 47 + H LYS 47 OK 66 68 100 97 2.3-3.6 1.8/2134=50, 3.0/6773=39...(24) HB3 MET 74 - H LYS 47 far 0 100 0 - 6.4-8.6 Violated in 0 structures by 0.00 A. Peak 6765 from nnoeabs.peaks (1.82, 7.47, 116.94 ppm; 4.23 A): 2 out of 4 assignments used, quality = 0.99: * HG2 ARG 46 + H LYS 47 OK 98 100 100 98 2.2-4.9 2086/6761=55...(17) HG3 ARG 46 + H LYS 47 OK 58 61 100 95 3.2-5.0 4.9/6761=46, 1.8/2094=30...(14) HB2 LEU 42 - H LYS 47 far 0 94 0 - 7.0-8.3 HB3 LYS 39 - H LYS 47 far 0 63 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 6766 from nnoeabs.peaks (1.79, 7.47, 116.94 ppm; 4.39 A): 2 out of 3 assignments used, quality = 1.00: * HG3 ARG 46 + H LYS 47 OK 99 100 100 99 3.2-5.0 2095/6761=62...(15) HG2 ARG 46 + H LYS 47 OK 59 61 100 96 2.2-4.9 4.9/6761=50, 1.8/2103=37...(15) HB2 LEU 42 - H LYS 47 far 0 92 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 6769 from nnoeabs.peaks (4.14, 7.47, 116.94 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 47 + H LYS 47 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6770 from nnoeabs.peaks (1.97, 7.47, 116.94 ppm; 3.01 A): 3 out of 7 assignments used, quality = 1.00: * HB2 LYS 47 + H LYS 47 OK 99 100 100 99 2.2-3.6 2134=64, 1.8/2146=52...(25) HB2 ARG 46 + H LYS 47 OK 84 100 100 84 2.4-4.3 4.0/6761=29, 4.7=27...(14) HB3 ARG 46 + H LYS 47 OK 80 99 100 81 2.6-4.3 4.0/6761=29, 4.7=27...(13) HB3 GLU 44 - H LYS 47 far 0 73 0 - 5.4-6.3 HB2 GLU 44 - H LYS 47 far 0 73 0 - 5.5-6.5 HB3 MET 74 - H LYS 47 far 0 100 0 - 6.4-8.6 QE MET 74 - H LYS 47 far 0 71 0 - 6.5-8.8 Violated in 4 structures by 0.01 A. Peak 6771 from nnoeabs.peaks (1.92, 7.47, 116.94 ppm; 2.94 A): 2 out of 6 assignments used, quality = 0.99: * HB3 LYS 47 + H LYS 47 OK 99 100 100 99 2.3-3.6 2146=57, 1.8/2134=51...(25) HB3 ARG 46 + H LYS 47 OK 52 68 100 78 2.6-4.3 4.0/6761=28, 4.7=25...(11) HB2 GLU 43 - H LYS 47 far 0 94 0 - 4.7-6.3 HB3 MET 74 - H LYS 47 far 0 61 0 - 6.4-8.6 HG LEU 42 - H LYS 47 far 0 81 0 - 9.0-10.2 HB VAL 54 - H LYS 47 far 0 59 0 - 9.2-11.6 Violated in 7 structures by 0.11 A. Peak 6772 from nnoeabs.peaks (1.49, 7.47, 116.94 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 47 + H LYS 47 OK 100 100 100 100 1.9-4.1 1.8/6773=85, 3.0/2134=63...(35) HG13 ILE 52 - H LYS 47 far 0 70 0 - 5.3-9.1 HG LEU 2 - H LYS 47 far 0 87 0 - 9.2-11.2 HD3 LYS 40 - H LYS 47 far 0 84 0 - 9.5-12.9 Violated in 10 structures by 0.10 A. Peak 6773 from nnoeabs.peaks (1.62, 7.47, 116.94 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 47 + H LYS 47 OK 100 100 100 100 1.9-3.4 1.8/6772=58, 2168=50...(32) HB ILE 76 - H LYS 47 far 0 90 0 - 7.6-9.1 Violated in 2 structures by 0.01 A. Peak 6774 from nnoeabs.peaks (1.68, 7.47, 116.94 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: HD3 LYS 47 + H LYS 47 OK 100 100 100 100 3.5-4.7 3.0/6773=70, 3.0/6772=61...(41) * HD2 LYS 47 + H LYS 47 OK 100 100 100 100 3.8-5.2 3.0/6773=70, 3.0/6772=61...(39) HB ILE 52 - H LYS 47 far 0 99 0 - 6.3-9.3 HB ILE 76 - H LYS 47 far 0 65 0 - 7.6-9.1 HB2 LEU 2 - H LYS 47 far 0 91 0 - 9.2-12.4 Violated in 8 structures by 0.04 A. Peak 6775 from nnoeabs.peaks (1.68, 7.47, 116.94 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 47 + H LYS 47 OK 100 100 100 100 3.5-4.7 3.0/6773=70, 3.0/6772=61...(41) HD2 LYS 47 + H LYS 47 OK 100 100 100 100 3.8-5.2 3.0/6773=70, 3.0/6772=61...(39) HB ILE 52 - H LYS 47 far 0 99 0 - 6.3-9.3 HB ILE 76 - H LYS 47 far 0 63 0 - 7.6-9.1 HB2 LEU 2 - H LYS 47 far 0 92 0 - 9.2-12.4 Violated in 8 structures by 0.04 A. Peak 6776 from nnoeabs.peaks (2.97, 7.47, 116.94 ppm; 4.73 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 47 + H LYS 47 OK 100 100 100 100 2.6-5.8 3.8/6773=76, 3.8/6772=70...(30) * HE2 LYS 47 + H LYS 47 OK 100 100 100 100 3.6-5.3 3.8/6773=76, 3.8/6772=70...(30) HB3 PHE 45 + H LYS 47 OK 97 100 100 97 4.8-5.8 4.5/6761=65, 3.0/6760=63...(9) HB2 PHE 45 + H LYS 47 OK 96 99 100 96 4.7-6.0 4.5/6761=65, 3.0/6760=63...(8) Violated in 0 structures by 0.00 A. Peak 6777 from nnoeabs.peaks (2.97, 7.47, 116.94 ppm; 4.73 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 47 + H LYS 47 OK 100 100 100 100 2.6-5.8 3.8/6773=76, 3.8/6772=70...(30) HE2 LYS 47 + H LYS 47 OK 100 100 100 100 3.6-5.3 3.8/6773=76, 3.8/6772=70...(30) HB3 PHE 45 + H LYS 47 OK 97 100 100 97 4.8-5.8 4.5/6761=65, 3.0/6760=63...(9) HB2 PHE 45 + H LYS 47 OK 96 99 100 96 4.7-6.0 4.5/6761=65, 3.0/6760=63...(8) Violated in 0 structures by 0.00 A. Peak 6778 from nnoeabs.peaks (7.62, 7.47, 116.94 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + H LYS 47 OK 100 100 100 100 2.3-3.0 6780=100, 2144/2134=38...(24) H GLU 44 - H LYS 47 far 0 97 0 - 4.8-5.8 HE22 GLN 50 - H LYS 47 far 0 99 0 - 6.0-11.9 Violated in 0 structures by 0.00 A. Peak 6779 from nnoeabs.peaks (7.62, 7.62, 118.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 48 + H GLU 48 OK 100 100 - 100 Peak 6780 from nnoeabs.peaks (7.47, 7.62, 118.85 ppm; 3.16 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 47 + H GLU 48 OK 100 100 100 100 2.3-3.0 6778=95, 2134/2144=36...(23) H ILE 52 - H GLU 48 far 0 90 0 - 6.4-8.0 HE ARG 46 - H GLU 48 far 0 100 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 6781 from nnoeabs.peaks (4.14, 7.62, 118.85 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 47 + H GLU 48 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 6782 from nnoeabs.peaks (1.97, 7.62, 118.85 ppm; 3.65 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 47 + H GLU 48 OK 100 100 100 100 2.7-3.9 2144=100, 1.8/2156=57...(14) HB2 ARG 46 + H GLU 48 OK 28 100 40 71 4.9-6.0 4.7/6780=38...(12) HB3 ARG 46 - H GLU 48 far 10 99 10 - 4.8-5.7 HB3 GLU 44 - H GLU 48 far 0 73 0 - 5.8-7.7 HB2 GLU 44 - H GLU 48 far 0 73 0 - 6.2-7.7 HB3 MET 74 - H GLU 48 far 0 100 0 - 7.8-10.1 QE MET 74 - H GLU 48 far 0 71 0 - 8.5-10.3 QE MET 1 - H GLU 48 far 0 99 0 - 9.9-12.7 Violated in 6 structures by 0.02 A. Peak 6783 from nnoeabs.peaks (1.92, 7.62, 118.85 ppm; 3.63 A): 1 out of 5 assignments used, quality = 0.99: * HB3 LYS 47 + H GLU 48 OK 99 100 100 99 2.5-3.8 1.8/2144=73, 2156=63...(14) HB3 ARG 46 - H GLU 48 far 7 68 10 - 4.8-5.7 HB2 GLU 43 - H GLU 48 far 0 94 0 - 7.0-8.6 HB3 MET 74 - H GLU 48 far 0 61 0 - 7.8-10.1 HB VAL 54 - H GLU 48 far 0 59 0 - 9.8-11.5 Violated in 3 structures by 0.03 A. Peak 6784 from nnoeabs.peaks (1.49, 7.62, 118.85 ppm; 4.81 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 47 + H GLU 48 OK 100 100 100 100 4.1-5.3 3.0/6783=85, 3.0/2144=85...(16) HG13 ILE 52 - H GLU 48 poor 17 70 25 - 4.3-7.8 HG LEU 2 - H GLU 48 far 0 87 0 - 7.1-8.9 Violated in 10 structures by 0.20 A. Peak 6785 from nnoeabs.peaks (1.62, 7.62, 118.85 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 47 + H GLU 48 OK 100 100 100 100 3.9-5.1 6773/6780=87...(15) HB ILE 76 - H GLU 48 far 0 90 0 - 7.9-10.1 Violated in 12 structures by 0.08 A. Peak 6786 from nnoeabs.peaks (1.68, 7.62, 118.85 ppm; 4.95 A): 3 out of 5 assignments used, quality = 1.00: HD3 LYS 47 + H GLU 48 OK 100 100 100 100 4.4-6.3 3.9/6783=75, 3.9/2144=74...(13) * HD2 LYS 47 + H GLU 48 OK 70 100 70 100 5.2-6.8 3.9/6783=75, 3.9/2144=74...(11) HB ILE 52 + H GLU 48 OK 69 99 70 99 4.7-7.2 3.2/9036=70...(13) HB2 LEU 2 - H GLU 48 far 0 91 0 - 7.3-10.1 HB ILE 76 - H GLU 48 far 0 65 0 - 7.9-10.1 Violated in 6 structures by 0.03 A. Peak 6787 from nnoeabs.peaks (1.68, 7.62, 118.85 ppm; 4.95 A): 3 out of 5 assignments used, quality = 1.00: * HD3 LYS 47 + H GLU 48 OK 100 100 100 100 4.4-6.3 3.9/6783=75, 3.9/2144=74...(13) HD2 LYS 47 + H GLU 48 OK 70 100 70 100 5.2-6.8 3.9/6783=75, 3.9/2144=74...(11) HB ILE 52 + H GLU 48 OK 69 99 70 99 4.7-7.2 3.2/9036=70...(13) HB2 LEU 2 - H GLU 48 far 0 92 0 - 7.3-10.1 HB ILE 76 - H GLU 48 far 0 63 0 - 7.9-10.1 Violated in 6 structures by 0.03 A. Peak 6788 from nnoeabs.peaks (2.97, 7.62, 118.85 ppm; 5.34 A): 4 out of 5 assignments used, quality = 1.00: * HE2 LYS 47 + H GLU 48 OK 100 100 100 100 4.2-6.0 4.9/6783=70, 4.9/2144=69...(13) HB3 PHE 45 + H GLU 48 OK 97 100 100 97 5.0-5.8 3.0/10190=83...(12) HB2 PHE 45 + H GLU 48 OK 96 99 100 97 4.8-5.9 3.0/10190=83...(11) HE3 LYS 47 + H GLU 48 OK 85 100 85 100 4.3-7.1 4.9/6783=70, 4.9/2144=69...(12) HB2 ASN 51 - H GLU 48 far 0 81 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 6789 from nnoeabs.peaks (2.97, 7.62, 118.85 ppm; 5.34 A): 4 out of 5 assignments used, quality = 1.00: HE2 LYS 47 + H GLU 48 OK 100 100 100 100 4.2-6.0 4.9/6783=70, 4.9/2144=69...(13) HB3 PHE 45 + H GLU 48 OK 97 100 100 97 5.0-5.8 3.0/10190=83...(12) HB2 PHE 45 + H GLU 48 OK 96 99 100 97 4.8-5.9 3.0/10190=83...(11) * HE3 LYS 47 + H GLU 48 OK 85 100 85 100 4.3-7.1 4.9/6783=70, 4.9/2144=69...(12) HB2 ASN 51 - H GLU 48 far 0 81 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 6790 from nnoeabs.peaks (4.43, 7.62, 118.85 ppm; 3.39 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 48 + H GLU 48 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLN 50 - H GLU 48 far 0 77 0 - 6.7-7.8 HA ILE 76 - H GLU 48 far 0 100 0 - 6.8-9.5 HA MET 74 - H GLU 48 far 0 85 0 - 9.5-12.0 HA LEU 2 - H GLU 48 far 0 68 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 6791 from nnoeabs.peaks (2.30, 7.62, 118.85 ppm; 3.19 A): 2 out of 4 assignments used, quality = 0.99: * HB2 GLU 48 + H GLU 48 OK 98 100 100 98 2.7-3.6 1.8/6792=69, 4.0=49...(17) HG2 GLU 48 + H GLU 48 OK 64 68 100 95 1.8-3.4 1.8/6794=49, 3.0/6792=49...(13) HG3 GLU 43 - H GLU 48 far 0 87 0 - 8.6-10.2 HB2 TYR 4 - H GLU 48 far 0 100 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 6792 from nnoeabs.peaks (2.05, 7.62, 118.85 ppm; 3.20 A): 1 out of 4 assignments used, quality = 0.97: * HB3 GLU 48 + H GLU 48 OK 97 100 100 97 2.1-3.7 2237=61, 1.8/6791=42...(16) HB2 GLN 50 - H GLU 48 far 0 87 0 - 5.8-9.0 HB3 GLU 43 - H GLU 48 far 0 95 0 - 7.8-9.3 HB2 MET 74 - H GLU 48 far 0 96 0 - 8.4-10.9 Violated in 16 structures by 0.22 A. Peak 6793 from nnoeabs.peaks (2.33, 7.62, 118.85 ppm; 3.33 A): 2 out of 4 assignments used, quality = 0.99: * HG2 GLU 48 + H GLU 48 OK 98 100 100 98 1.8-3.4 1.8/6794=55, 3.0/6792=54...(17) HB2 GLU 48 + H GLU 48 OK 67 68 100 99 2.7-3.6 1.8/6792=74, 4.0=56...(16) HG3 GLU 44 - H GLU 48 far 0 92 0 - 7.0-9.5 HG3 GLU 43 - H GLU 48 far 0 99 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 6794 from nnoeabs.peaks (2.43, 7.62, 118.85 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 48 + H GLU 48 OK 100 100 100 100 2.1-4.0 2251=85, 3.0/6792=71...(20) HG2 GLN 50 - H GLU 48 far 0 79 0 - 5.6-8.9 HG3 GLN 50 - H GLU 48 far 0 100 0 - 5.7-9.2 HB3 TYR 4 - H GLU 48 far 0 79 0 - 9.7-11.4 Violated in 2 structures by 0.01 A. Peak 6795 from nnoeabs.peaks (7.72, 7.62, 118.85 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H SER 49 + H GLU 48 OK 100 100 100 100 2.2-3.4 6797=88, 6798/3.0=53...(21) Violated in 0 structures by 0.00 A. Peak 6796 from nnoeabs.peaks (7.72, 7.72, 114.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 49 + H SER 49 OK 100 100 - 100 Peak 6797 from nnoeabs.peaks (7.62, 7.72, 114.22 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + H SER 49 OK 100 100 100 100 2.2-3.4 6795=100, 3.0/6798=58...(21) HE22 GLN 50 - H SER 49 far 10 99 10 - 3.9-8.1 H GLU 44 - H SER 49 far 0 97 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 6798 from nnoeabs.peaks (4.43, 7.72, 114.22 ppm; 3.37 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 48 + H SER 49 OK 100 100 100 100 2.6-3.6 3.6=85, 3.0/6795=53...(19) HA GLN 50 - H SER 49 poor 15 77 20 - 4.6-5.4 HA ILE 76 - H SER 49 far 0 100 0 - 5.2-8.4 HA LEU 2 - H SER 49 far 0 68 0 - 8.7-11.7 HA MET 74 - H SER 49 far 0 85 0 - 9.6-12.2 Violated in 17 structures by 0.16 A. Peak 6799 from nnoeabs.peaks (2.30, 7.72, 114.22 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 48 + H SER 49 OK 100 100 100 100 2.1-4.6 2236=74, 3.0/6798=72...(18) HG2 GLU 48 + H SER 49 OK 67 68 100 99 1.8-4.5 4.1/6798=54, 3.0/2243=53...(13) HB2 TYR 4 - H SER 49 far 0 100 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 6800 from nnoeabs.peaks (2.05, 7.72, 114.22 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 48 + H SER 49 OK 100 100 100 100 2.1-4.7 2243=88, 3.0/6798=77...(15) HB2 GLN 50 + H SER 49 OK 60 87 75 93 4.5-6.7 4.0/6808=51, ~9051=35...(14) HB2 MET 74 - H SER 49 far 0 96 0 - 8.1-11.8 HB3 GLU 43 - H SER 49 far 0 95 0 - 9.7-10.8 Violated in 2 structures by 0.02 A. Peak 6801 from nnoeabs.peaks (2.33, 7.72, 114.22 ppm; 4.35 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 48 + H SER 49 OK 100 100 100 100 1.8-4.5 2250=72, 4.1/6798=61...(16) HB2 GLU 48 + H SER 49 OK 67 68 100 100 2.1-4.6 4.6=83, 3.0/6798=79...(18) HG3 GLU 44 - H SER 49 far 0 92 0 - 7.7-11.3 Violated in 0 structures by 0.00 A. Peak 6802 from nnoeabs.peaks (2.43, 7.72, 114.22 ppm; 4.86 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 48 + H SER 49 OK 100 100 100 100 2.0-5.0 1.8/2250=80...(17) HG2 GLN 50 + H SER 49 OK 25 79 35 89 4.0-7.2 5.1/6808=51, ~9051=36...(10) HG3 GLN 50 - H SER 49 far 15 100 15 - 4.0-7.5 HG3 MET 1 - H SER 49 far 0 99 0 - 9.0-12.0 HB3 TYR 4 - H SER 49 far 0 79 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 6803 from nnoeabs.peaks (4.24, 7.72, 114.22 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 49 + H SER 49 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 6804 from nnoeabs.peaks (4.06, 7.72, 114.22 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 49 + H SER 49 OK 99 100 100 99 2.4-4.0 3.9=85, 1.8/6805=74...(9) HA ARG 46 + H SER 49 OK 83 96 100 87 3.2-4.3 12313=38, 9512/9048=24...(11) Violated in 0 structures by 0.00 A. Peak 6805 from nnoeabs.peaks (3.86, 7.72, 114.22 ppm; 3.71 A): 1 out of 2 assignments used, quality = 0.98: * HB3 SER 49 + H SER 49 OK 98 100 100 98 2.5-3.2 2268=84, 1.8/6804=40...(13) HA GLU 43 - H SER 49 far 0 84 0 - 7.6-8.6 Violated in 0 structures by 0.00 A. Peak 6806 from nnoeabs.peaks (8.55, 7.72, 114.22 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 50 + H SER 49 OK 100 100 100 100 2.6-4.4 6808=89, 12314/6798=52...(18) H ASN 51 + H SER 49 OK 22 97 25 90 5.0-6.8 9110/2.9=43, 4.6/6808=39...(11) H LEU 2 - H SER 49 far 0 59 0 - 7.5-10.5 Violated in 4 structures by 0.02 A. Peak 6807 from nnoeabs.peaks (8.55, 8.55, 120.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 50 + H GLN 50 OK 100 100 - 100 Peak 6808 from nnoeabs.peaks (7.72, 8.55, 120.13 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * H SER 49 + H GLN 50 OK 100 100 100 100 2.6-4.4 6806=82, 6798/12314=56...(19) H VAL 78 - H GLN 50 far 0 79 0 - 9.4-12.5 Violated in 4 structures by 0.03 A. Peak 6809 from nnoeabs.peaks (4.24, 8.55, 120.13 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 49 + H GLN 50 OK 100 100 100 100 2.3-3.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 6810 from nnoeabs.peaks (4.06, 8.55, 120.13 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 49 + H GLN 50 OK 100 100 100 100 2.4-4.5 4.3=100 HA ARG 46 + H GLN 50 OK 30 96 45 69 5.7-6.5 12313/6808=31...(6) Violated in 0 structures by 0.00 A. Peak 6811 from nnoeabs.peaks (3.86, 8.55, 120.13 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 49 + H GLN 50 OK 100 100 100 100 3.9-4.7 4.3=100 Violated in 7 structures by 0.01 A. Peak 6812 from nnoeabs.peaks (4.40, 8.55, 120.13 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HA GLN 50 + H GLN 50 OK 100 100 100 100 2.9-2.9 3.0=100 HA GLU 48 + H GLN 50 OK 60 77 80 97 3.5-7.0 12314=52, 3.6/6808=44...(17) HA ILE 76 - H GLN 50 far 0 77 0 - 6.5-8.9 Violated in 0 structures by 0.00 A. Peak 6813 from nnoeabs.peaks (2.02, 8.55, 120.13 ppm; 3.55 A): 2 out of 4 assignments used, quality = 0.99: * HB2 GLN 50 + H GLN 50 OK 98 100 100 98 2.2-3.2 4.0=69, 1.8/6814=64...(18) HB3 GLU 48 + H GLN 50 OK 58 87 75 89 2.2-7.7 3.0/12314=45...(13) HB3 MET 1 - H GLN 50 far 0 91 0 - 7.2-10.2 HB2 GLU 44 - H GLN 50 far 0 88 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 6814 from nnoeabs.peaks (2.17, 8.55, 120.13 ppm; 3.87 A): 1 out of 4 assignments used, quality = 0.99: * HB3 GLN 50 + H GLN 50 OK 99 100 100 99 2.4-3.8 4.0=89, 1.8/6813=52...(14) HG2 MET 1 - H GLN 50 far 0 87 0 - 7.1-10.4 HB2 GLU 75 - H GLN 50 far 0 59 0 - 9.0-12.0 HB3 GLU 75 - H GLN 50 far 0 96 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 6815 from nnoeabs.peaks (2.40, 8.55, 120.13 ppm; 3.85 A): 3 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + H GLN 50 OK 97 100 100 97 2.2-4.5 2.9/6814=58, 5.1=43...(14) HG3 GLN 50 + H GLN 50 OK 72 75 100 96 2.1-4.9 2.9/6814=58, 5.1=43...(13) HG3 GLU 48 + H GLN 50 OK 57 79 80 90 3.6-8.3 4.1/12314=41, 11027=29...(13) HG3 MET 1 - H GLN 50 far 0 94 0 - 7.0-9.2 Violated in 0 structures by 0.00 A. Peak 6816 from nnoeabs.peaks (2.43, 8.55, 120.13 ppm; 3.72 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLN 50 + H GLN 50 OK 96 100 100 96 2.1-4.9 2.9/6814=55, 5.1=39...(12) HG3 GLU 48 + H GLN 50 OK 73 100 80 91 3.6-8.3 2228/12314=40, 11027=36...(13) HG2 GLN 50 + H GLN 50 OK 72 75 100 96 2.2-4.5 2.9/6814=55, 5.1=39...(12) HG3 MET 1 - H GLN 50 far 0 98 0 - 7.0-9.2 Violated in 2 structures by 0.01 A. Peak 6818 from nnoeabs.peaks (8.53, 8.55, 120.13 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: H GLN 50 + H GLN 50 OK 97 97 - 100 Reference assignment not found: H ASN 51 - H GLN 50 Peak 6819 from nnoeabs.peaks (6.92, 6.92, 112.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HE21 GLN 50 OK 100 100 - 100 Peak 6821 from nnoeabs.peaks (4.40, 6.92, 112.80 ppm; 5.83 A): 2 out of 4 assignments used, quality = 1.00: * HA GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.3-5.8 5.7=100 HA GLU 48 + HE21 GLN 50 OK 43 77 65 86 3.7-12.6 12314/6.6=36...(8) HA ILE 76 - HE21 GLN 50 far 4 77 5 - 6.1-14.1 HA MET 74 - HE21 GLN 50 far 0 100 0 - 8.6-19.5 Violated in 0 structures by 0.00 A. Peak 6823 from nnoeabs.peaks (2.17, 6.92, 112.80 ppm; 5.79 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.3-4.7 4.5=100 HG2 MET 1 - HE21 GLN 50 far 9 87 10 - 6.8-13.3 HB3 GLU 75 - HE21 GLN 50 far 5 96 5 - 7.3-17.4 HB2 GLU 75 - HE21 GLN 50 far 3 59 5 - 6.6-17.5 HG3 GLU 75 - HE21 GLN 50 far 0 100 0 - 9.2-20.0 HG2 GLU 75 - HE21 GLN 50 far 0 100 0 - 9.4-19.7 Violated in 0 structures by 0.00 A. Peak 6824 from nnoeabs.peaks (2.40, 6.92, 112.80 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.5-4.1 3.5=100 HG3 GLN 50 + HE21 GLN 50 OK 75 75 100 100 3.6-4.1 3.5=100 HG3 GLU 48 - HE21 GLN 50 far 4 79 5 - 3.5-13.4 HG3 MET 1 - HE21 GLN 50 far 0 94 0 - 6.5-12.2 Violated in 0 structures by 0.00 A. Peak 6825 from nnoeabs.peaks (2.43, 6.92, 112.80 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 50 + HE21 GLN 50 OK 100 100 100 100 3.6-4.1 3.5=100 HG2 GLN 50 + HE21 GLN 50 OK 75 75 100 100 3.5-4.1 3.5=100 HG3 GLU 48 - HE21 GLN 50 far 5 100 5 - 3.5-13.4 HG3 MET 1 - HE21 GLN 50 far 0 98 0 - 6.5-12.2 Violated in 0 structures by 0.00 A. Peak 6826 from nnoeabs.peaks (8.53, 8.53, 118.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 51 + H ASN 51 OK 100 100 - 100 Peak 6827 from nnoeabs.peaks (8.55, 8.53, 118.16 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: H ASN 51 + H ASN 51 OK 97 97 - 100 Reference assignment not found: H GLN 50 - H ASN 51 Peak 6828 from nnoeabs.peaks (4.40, 8.53, 118.16 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.99: * HA GLN 50 + H ASN 51 OK 99 100 100 99 2.1-3.6 3.6=99 HA GLU 48 - H ASN 51 far 0 77 0 - 6.2-8.2 HA ILE 76 - H ASN 51 far 0 77 0 - 7.7-8.9 Violated in 1 structures by 0.00 A. Peak 6829 from nnoeabs.peaks (2.02, 8.53, 118.16 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLN 50 + H ASN 51 OK 100 100 100 100 1.9-4.6 1.8/6830=78, 4.6=74...(21) HB3 MET 1 - H ASN 51 poor 17 91 25 77 5.0-8.4 ~8003=27, 9111/6835=17...(15) HB3 GLU 48 - H ASN 51 far 4 87 5 - 5.0-9.0 Violated in 16 structures by 0.22 A. Peak 6830 from nnoeabs.peaks (2.17, 8.53, 118.16 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 50 + H ASN 51 OK 100 100 100 100 3.2-4.6 4.6=71, 3.0/6828=71...(12) HG2 MET 1 - H ASN 51 far 4 87 5 - 5.3-9.0 HB3 GLU 75 - H ASN 51 far 0 96 0 - 9.9-11.8 Violated in 14 structures by 0.17 A. Peak 6831 from nnoeabs.peaks (2.40, 8.53, 118.16 ppm; 4.59 A): 3 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + H ASN 51 OK 100 100 100 100 3.1-4.7 2.9/6830=73, 3.7/6828=71...(14) HG3 GLN 50 + H ASN 51 OK 75 75 100 100 2.4-5.3 2.9/6830=73, 3.7/6828=71...(14) HG3 MET 1 + H ASN 51 OK 28 94 35 85 5.2-8.1 ~8032=33, 36=19...(14) HG3 GLU 48 - H ASN 51 far 12 79 15 - 5.4-8.8 Violated in 0 structures by 0.00 A. Peak 6832 from nnoeabs.peaks (2.43, 8.53, 118.16 ppm; 4.55 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLN 50 + H ASN 51 OK 100 100 100 100 2.4-5.3 2.9/6830=72, 3.7/6828=70...(14) HG2 GLN 50 + H ASN 51 OK 75 75 100 99 3.1-4.7 2.9/6830=72, 3.7/6828=70...(14) HG3 MET 1 + H ASN 51 OK 29 98 35 85 5.2-8.1 ~8032=33, 10633/6835=22...(14) HG3 GLU 48 - H ASN 51 far 15 100 15 - 5.4-8.8 Violated in 0 structures by 0.00 A. Peak 6834 from nnoeabs.peaks (4.98, 8.53, 118.16 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + H ASN 51 OK 100 100 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6835 from nnoeabs.peaks (2.95, 8.53, 118.16 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ASN 51 + H ASN 51 OK 99 100 100 99 3.6-4.1 1.8/6836=82, 4.0=82...(13) HB2 PHE 45 - H ASN 51 far 0 63 0 - 8.0-10.7 HB3 PHE 45 - H ASN 51 far 0 91 0 - 8.7-10.4 Violated in 16 structures by 0.18 A. Peak 6836 from nnoeabs.peaks (2.67, 8.53, 118.16 ppm; 3.44 A): 1 out of 1 assignment used, quality = 0.97: * HB3 ASN 51 + H ASN 51 OK 97 100 100 97 2.8-3.8 1.8/6835=62, 4.0=62...(13) Violated in 7 structures by 0.08 A. Peak 6838 from nnoeabs.peaks (7.68, 8.53, 118.16 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + H ASN 51 OK 100 100 100 100 2.4-5.0 3.5/6836=89, 3.5/6835=85...(16) Violated in 0 structures by 0.00 A. Peak 6839 from nnoeabs.peaks (7.49, 8.53, 118.16 ppm; 3.65 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 52 + H ASN 51 OK 99 100 100 99 2.3-2.9 6854/3.0=66, 4.6=49...(18) HE ARG 46 - H ASN 51 far 0 87 0 - 8.2-15.1 H LYS 47 - H ASN 51 far 0 90 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 6840 from nnoeabs.peaks (6.98, 6.98, 112.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 51 + HD21 ASN 51 OK 100 100 - 100 Peak 6841 from nnoeabs.peaks (8.53, 6.98, 112.98 ppm; 5.15 A): 3 out of 3 assignments used, quality = 1.00: * H ASN 51 + HD21 ASN 51 OK 100 100 100 100 2.8-5.2 6836/3.5=88, 6835/3.5=83...(13) H GLN 50 + HD21 ASN 51 OK 60 97 65 95 3.8-8.4 3.0/9129=62, ~9128=41...(10) H LEU 2 + HD21 ASN 51 OK 51 85 60 99 3.3-8.3 3.6/9130=52, 4.7/9119=49...(13) Violated in 0 structures by 0.00 A. Peak 6842 from nnoeabs.peaks (4.98, 6.98, 112.98 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HD21 ASN 51 OK 100 100 100 100 3.3-5.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 6843 from nnoeabs.peaks (2.95, 6.98, 112.98 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 51 + HD21 ASN 51 OK 100 100 100 100 3.4-4.0 3.5=100 HB3 PHE 45 - HD21 ASN 51 far 0 91 0 - 8.8-14.5 HB2 PHE 45 - HD21 ASN 51 far 0 63 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 6844 from nnoeabs.peaks (2.67, 6.98, 112.98 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + HD21 ASN 51 OK 100 100 100 100 3.4-4.1 3.5=100 Violated in 12 structures by 0.02 A. Peak 6845 from nnoeabs.peaks (7.68, 6.98, 112.98 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HD21 ASN 51 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6846 from nnoeabs.peaks (7.68, 7.68, 112.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HD22 ASN 51 OK 100 100 - 100 Peak 6847 from nnoeabs.peaks (8.53, 7.68, 112.98 ppm; 5.08 A): 3 out of 3 assignments used, quality = 1.00: * H ASN 51 + HD22 ASN 51 OK 100 100 100 100 2.4-5.0 6838=92, 6836/3.5=86...(15) H LEU 2 + HD22 ASN 51 OK 76 85 90 99 2.5-7.3 3.6/8001=56, 4.7/9126=51...(15) H GLN 50 + HD22 ASN 51 OK 66 97 70 97 4.0-8.1 3.0/9128=51, 4.6/6838=50...(12) Violated in 0 structures by 0.00 A. Peak 6848 from nnoeabs.peaks (4.98, 7.68, 112.98 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HD22 ASN 51 OK 100 100 100 100 1.9-4.6 4.4=100 Violated in 0 structures by 0.00 A. Peak 6849 from nnoeabs.peaks (2.95, 7.68, 112.98 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 51 + HD22 ASN 51 OK 100 100 100 100 2.1-3.3 3.5=100 HB2 PHE 45 - HD22 ASN 51 far 0 63 0 - 8.1-12.6 HB3 PHE 45 - HD22 ASN 51 far 0 91 0 - 8.3-13.8 Violated in 0 structures by 0.00 A. Peak 6850 from nnoeabs.peaks (2.67, 7.68, 112.98 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + HD22 ASN 51 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 6851 from nnoeabs.peaks (6.98, 7.68, 112.98 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 51 + HD22 ASN 51 OK 100 100 100 100 1.7-1.7 1.7=100 QE PHE 96 - HD22 ASN 51 far 0 92 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 6852 from nnoeabs.peaks (7.49, 7.49, 117.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 52 + H ILE 52 OK 100 100 - 100 Peak 6853 from nnoeabs.peaks (8.53, 7.49, 117.93 ppm; 3.61 A): 3 out of 3 assignments used, quality = 1.00: * H ASN 51 + H ILE 52 OK 100 100 100 100 2.3-2.9 6839=97, 3.0/6854=65...(17) H GLN 50 + H ILE 52 OK 77 97 100 79 2.8-4.3 4.6/6839=35, 3.0/9139=28...(11) H LEU 2 + H ILE 52 OK 34 85 50 81 4.3-6.2 8044/3.0=35, ~8045=14...(11) Violated in 0 structures by 0.00 A. Peak 6854 from nnoeabs.peaks (4.98, 7.49, 117.93 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.97: * HA ASN 51 + H ILE 52 OK 97 100 100 97 2.8-3.3 2319=87, 3.0/6839=40...(8) Violated in 3 structures by 0.02 A. Peak 6855 from nnoeabs.peaks (2.95, 7.49, 117.93 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 51 + H ILE 52 OK 100 100 100 100 4.1-4.6 2326=98, 3.0/6854=84...(13) HB2 PHE 45 - H ILE 52 far 0 63 0 - 6.3-8.3 HB3 PHE 45 - H ILE 52 far 0 91 0 - 6.7-8.2 Violated in 12 structures by 0.06 A. Peak 6856 from nnoeabs.peaks (2.67, 7.49, 117.93 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + H ILE 52 OK 100 100 100 100 3.7-4.7 4.6=89, 3.0/6854=86...(14) Violated in 12 structures by 0.11 A. Peak 6859 from nnoeabs.peaks (5.34, 7.49, 117.93 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 52 + H ILE 52 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6860 from nnoeabs.peaks (1.67, 7.49, 117.93 ppm; 3.54 A): 1 out of 4 assignments used, quality = 0.99: * HB ILE 52 + H ILE 52 OK 99 100 100 99 2.3-3.7 3.8=79, 2.1/2350=59...(17) HB2 LEU 2 - H ILE 52 poor 19 75 25 - 4.2-7.4 HB3 LYS 53 - H ILE 52 far 0 96 0 - 5.8-7.3 HB ILE 76 - H ILE 52 far 0 84 0 - 7.9-9.2 Violated in 10 structures by 0.04 A. Peak 6861 from nnoeabs.peaks (0.78, 7.49, 117.93 ppm; 3.55 A): 2 out of 6 assignments used, quality = 1.00: * QG2 ILE 52 + H ILE 52 OK 100 100 100 100 1.8-2.7 2350=77, 2.1/6860=67...(22) QD2 LEU 2 + H ILE 52 OK 59 77 80 95 2.7-5.9 ~8049=21, 2345/6860=20...(28) QG1 VAL 78 - H ILE 52 far 0 71 0 - 6.9-8.0 QD1 ILE 76 - H ILE 52 far 0 90 0 - 7.1-8.6 QG1 VAL 54 - H ILE 52 far 0 95 0 - 8.0-8.7 QD2 LEU 42 - H ILE 52 far 0 98 0 - 8.2-10.8 Violated in 0 structures by 0.00 A. Peak 6862 from nnoeabs.peaks (1.04, 7.49, 117.93 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 52 + H ILE 52 OK 100 100 100 100 2.3-4.4 2358=73, 3.0/6860=63...(12) Violated in 9 structures by 0.21 A. Peak 6863 from nnoeabs.peaks (1.46, 7.49, 117.93 ppm; 3.88 A): 2 out of 5 assignments used, quality = 1.00: * HG13 ILE 52 + H ILE 52 OK 100 100 100 100 1.8-4.6 1.8/6862=76, 3.0/6860=65...(16) HG2 LYS 53 + H ILE 52 OK 72 100 95 76 4.7-7.4 10852/4.0=26...(12) HD2 LYS 53 - H ILE 52 far 10 100 10 - 5.0-7.3 HG3 LYS 53 - H ILE 52 far 0 99 0 - 6.1-7.3 HG13 ILE 76 - H ILE 52 far 0 91 0 - 6.6-9.2 Violated in 12 structures by 0.17 A. Peak 6864 from nnoeabs.peaks (0.69, 7.49, 117.93 ppm; 4.36 A): 1 out of 5 assignments used, quality = 1.00: * QD1 ILE 52 + H ILE 52 OK 100 100 100 100 3.5-4.5 2.1/6862=84, 4.8=75...(17) QG2 VAL 54 - H ILE 52 far 9 57 15 - 5.8-6.2 QD2 LEU 27 - H ILE 52 far 0 68 0 - 8.5-10.0 QG2 VAL 78 - H ILE 52 far 0 82 0 - 9.2-10.1 QD1 LEU 42 - H ILE 52 far 0 100 0 - 10.0-12.1 Violated in 9 structures by 0.03 A. Peak 6865 from nnoeabs.peaks (8.47, 7.49, 117.93 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 53 + H ILE 52 OK 100 100 100 100 4.5-4.6 4.4=100 H VAL 54 - H ILE 52 far 0 88 0 - 7.0-7.7 Violated in 0 structures by 0.00 A. Peak 6866 from nnoeabs.peaks (8.47, 8.47, 123.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + H LYS 53 OK 100 100 - 100 Peak 6867 from nnoeabs.peaks (7.49, 8.47, 123.25 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 52 + H LYS 53 OK 100 100 100 100 4.5-4.6 4.4=100 H LYS 47 - H LYS 53 far 0 90 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 6868 from nnoeabs.peaks (5.34, 8.47, 123.25 ppm; 3.08 A): 1 out of 1 assignment used, quality = 0.97: * HA ILE 52 + H LYS 53 OK 97 100 100 97 2.1-2.5 2341=70, 3.0/2349=31...(27) Violated in 0 structures by 0.00 A. Peak 6869 from nnoeabs.peaks (1.67, 8.47, 123.25 ppm; 3.42 A): 2 out of 5 assignments used, quality = 1.00: * HB ILE 52 + H LYS 53 OK 99 100 100 99 2.1-4.3 3.0/6868=58, 2349=52...(23) HB3 LYS 53 + H LYS 53 OK 92 96 100 96 2.5-3.9 3.9=66, 8114/9182=37...(21) HB2 LEU 2 - H LYS 53 poor 18 75 30 78 2.5-6.0 8046/6868=24...(15) HB ILE 76 - H LYS 53 far 0 84 0 - 7.8-9.0 HB3 ARG 79 - H LYS 53 far 0 96 0 - 8.2-11.0 Violated in 5 structures by 0.01 A. Peak 6870 from nnoeabs.peaks (0.78, 8.47, 123.25 ppm; 3.69 A): 2 out of 10 assignments used, quality = 1.00: * QG2 ILE 52 + H LYS 53 OK 100 100 100 100 3.3-4.1 3.2/6868=63, 4.3=62...(26) QD2 LEU 2 + H LYS 53 OK 60 77 95 82 1.7-5.4 2337/6868=20, 2.1/216=19...(19) QG1 VAL 54 - H LYS 53 far 5 95 5 - 5.1-6.1 QG1 VAL 78 - H LYS 53 far 0 71 0 - 6.0-6.9 QD1 LEU 27 - H LYS 53 far 0 99 0 - 6.6-8.2 QD2 LEU 42 - H LYS 53 far 0 98 0 - 6.9-9.6 QD1 ILE 76 - H LYS 53 far 0 90 0 - 7.1-8.6 QD1 LEU 6 - H LYS 53 far 0 99 0 - 8.3-11.5 QG2 ILE 93 - H LYS 53 far 0 81 0 - 8.7-10.9 QD2 LEU 57 - H LYS 53 far 0 95 0 - 9.8-10.9 Violated in 4 structures by 0.02 A. Peak 6871 from nnoeabs.peaks (1.04, 8.47, 123.25 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 52 + H LYS 53 OK 100 100 100 100 2.4-4.0 3.8/6868=76, 3.0/2349=70...(19) HB3 LEU 55 - H LYS 53 far 0 97 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 6872 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.71 A): 4 out of 7 assignments used, quality = 1.00: * HG13 ILE 52 + H LYS 53 OK 98 100 100 98 2.3-4.9 3.8/6868=54, 1.8/6871=51...(19) HG2 LYS 53 + H LYS 53 OK 98 100 100 99 2.7-4.8 5.0=40, 3.0/6876=28...(32) HG3 LYS 53 + H LYS 53 OK 96 99 100 97 3.3-4.7 5.0=40, 3.0/6876=28...(26) HD2 LYS 53 + H LYS 53 OK 78 100 80 98 3.9-5.6 2438/3.0=38, 2440/3.9=34...(26) HB2 LEU 27 - H LYS 53 far 0 100 0 - 8.2-10.5 HG13 ILE 76 - H LYS 53 far 0 91 0 - 8.2-10.1 QB ALA 22 - H LYS 53 far 0 90 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 6873 from nnoeabs.peaks (0.69, 8.47, 123.25 ppm; 4.60 A): 3 out of 9 assignments used, quality = 1.00: * QD1 ILE 52 + H LYS 53 OK 100 100 100 100 2.7-4.3 2.1/6871=75, 4.1/6868=72...(25) QG2 VAL 54 + H LYS 53 OK 55 57 100 96 3.5-4.0 ~9232=34, 9231/3.0=32...(22) QD2 LEU 27 + H LYS 53 OK 26 68 55 69 5.3-6.5 10136/9182=35...(8) QD2 LEU 6 - H LYS 53 far 0 99 0 - 7.7-9.1 QG2 VAL 78 - H LYS 53 far 0 82 0 - 7.9-8.9 QD1 ILE 56 - H LYS 53 far 0 98 0 - 7.9-10.2 QG1 VAL 5 - H LYS 53 far 0 73 0 - 8.6-9.6 QD1 LEU 42 - H LYS 53 far 0 100 0 - 9.3-11.2 HG13 ILE 56 - H LYS 53 far 0 92 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 6874 from nnoeabs.peaks (5.04, 8.47, 123.25 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + H LYS 53 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6875 from nnoeabs.peaks (1.84, 8.47, 123.25 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 53 + H LYS 53 OK 100 100 100 100 2.5-3.3 3.9=100 HG2 ARG 46 - H LYS 53 far 0 96 0 - 8.1-12.5 HB VAL 5 - H LYS 53 far 0 92 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 6876 from nnoeabs.peaks (1.69, 8.47, 123.25 ppm; 3.42 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LYS 53 + H LYS 53 OK 96 100 100 96 2.5-3.9 3.9=66, 8114/9182=38...(21) HB ILE 52 + H LYS 53 OK 95 96 100 98 2.1-4.3 3.0/6868=58, 2349=50...(23) HB2 LEU 2 + H LYS 53 OK 24 96 30 85 2.5-6.0 8046/6868=33...(16) HB3 ARG 79 - H LYS 53 far 0 75 0 - 8.2-11.0 Violated in 1 structures by 0.00 A. Peak 6877 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.71 A): 4 out of 7 assignments used, quality = 1.00: * HG2 LYS 53 + H LYS 53 OK 99 100 100 99 2.7-4.8 5.0=40, 3.0/6876=28...(33) HG13 ILE 52 + H LYS 53 OK 98 100 100 98 2.3-4.9 3.8/6868=54, 1.8/6871=51...(19) HG3 LYS 53 + H LYS 53 OK 97 100 100 97 3.3-4.7 5.0=40, 3.0/6876=28...(27) HD2 LYS 53 + H LYS 53 OK 78 100 80 98 3.9-5.6 2438/3.0=38, 2440/3.9=34...(26) HB2 LEU 27 - H LYS 53 far 0 100 0 - 8.2-10.5 HG13 ILE 76 - H LYS 53 far 0 82 0 - 8.2-10.1 QB ALA 22 - H LYS 53 far 0 81 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 6878 from nnoeabs.peaks (1.47, 8.47, 123.25 ppm; 3.71 A): 4 out of 7 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 99 100 100 99 2.7-4.8 5.0=40, 10852/4.3=30...(33) * HG3 LYS 53 + H LYS 53 OK 97 100 100 97 3.3-4.7 5.0=40, 3.0/6876=28...(27) HG13 ILE 52 + H LYS 53 OK 97 99 100 98 2.3-4.9 3.8/6868=54, 1.8/6871=51...(19) HD2 LYS 53 + H LYS 53 OK 78 99 80 98 3.9-5.6 2438/3.0=37, 2440/3.9=33...(26) HB2 LEU 27 - H LYS 53 far 0 99 0 - 8.2-10.5 HG13 ILE 76 - H LYS 53 far 0 73 0 - 8.2-10.1 QB ALA 22 - H LYS 53 far 0 71 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 6879 from nnoeabs.peaks (1.46, 8.47, 123.25 ppm; 3.71 A): 4 out of 7 assignments used, quality = 1.00: HG2 LYS 53 + H LYS 53 OK 99 100 100 99 2.7-4.8 5.0=40, 3.0/6876=28...(32) HG13 ILE 52 + H LYS 53 OK 98 100 100 98 2.3-4.9 3.8/6868=54, 1.8/6871=51...(19) HG3 LYS 53 + H LYS 53 OK 97 99 100 97 3.3-4.7 5.0=40, 3.0/6876=28...(27) * HD2 LYS 53 + H LYS 53 OK 78 100 80 98 3.9-5.6 2438/3.0=38, 2440/3.9=34...(26) HB2 LEU 27 - H LYS 53 far 0 100 0 - 8.2-10.5 HG13 ILE 76 - H LYS 53 far 0 88 0 - 8.2-10.1 QB ALA 22 - H LYS 53 far 0 87 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 6880 from nnoeabs.peaks (1.55, 8.47, 123.25 ppm; 5.46 A): 3 out of 7 assignments used, quality = 1.00: * HD3 LYS 53 + H LYS 53 OK 100 100 100 100 4.3-5.6 2451/3.9=90, 2389/3.0=86...(22) HB2 LEU 3 + H LYS 53 OK 100 100 100 100 4.6-6.1 3.1/9182=89, 1.8/9183=78...(16) HG LEU 2 + H LYS 53 OK 59 63 100 92 2.6-5.9 3.0/9184=39, 2.1/6870=38...(16) HG2 ARG 79 - H LYS 53 far 0 94 0 - 7.5-11.8 HG3 ARG 79 - H LYS 53 far 0 95 0 - 8.2-12.4 HG LEU 6 - H LYS 53 far 0 82 0 - 8.9-12.4 HB3 GLU 28 - H LYS 53 far 0 99 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 6884 from nnoeabs.peaks (8.49, 8.49, 120.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 54 + H VAL 54 OK 100 100 - 100 Peak 6886 from nnoeabs.peaks (5.04, 8.49, 120.76 ppm; 2.96 A): 1 out of 1 assignment used, quality = 0.97: * HA LYS 53 + H VAL 54 OK 97 100 100 97 2.2-2.4 3.6=57, 3.0/6887=39...(23) Violated in 0 structures by 0.00 A. Peak 6887 from nnoeabs.peaks (1.84, 8.49, 120.76 ppm; 3.48 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LYS 53 + H VAL 54 OK 99 100 100 99 3.5-3.9 3.0/6886=63, 4.4=50...(21) HB VAL 5 - H VAL 54 far 0 92 0 - 8.1-9.3 HB2 LEU 42 - H VAL 54 far 0 70 0 - 8.7-10.6 HG2 ARG 46 - H VAL 54 far 0 96 0 - 8.8-12.9 HB2 LYS 68 - H VAL 54 far 0 100 0 - 9.7-13.7 Violated in 20 structures by 0.20 A. Peak 6888 from nnoeabs.peaks (1.69, 8.49, 120.76 ppm; 4.17 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 53 + H VAL 54 OK 100 100 100 100 2.4-4.5 1.8/6887=91, 4.4=87...(24) HB3 ARG 79 + H VAL 54 OK 41 75 85 65 4.2-7.0 1.8/3505=23, 3514=16...(12) HB ILE 52 - H VAL 54 far 0 96 0 - 5.8-7.6 HB2 LEU 2 - H VAL 54 far 0 96 0 - 6.7-10.4 HB3 LEU 6 - H VAL 54 far 0 63 0 - 7.6-9.2 Violated in 1 structures by 0.01 A. Peak 6889 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 3.95 A): 4 out of 7 assignments used, quality = 1.00: * HG2 LYS 53 + H VAL 54 OK 99 100 100 99 4.3-5.0 3.0/6887=67, 3.9/6886=60...(23) HG3 LYS 53 + H VAL 54 OK 99 100 100 99 3.2-5.2 3.0/6887=67, 3.9/6886=60...(22) HD2 LYS 53 + H VAL 54 OK 98 100 100 98 3.4-4.3 3.6/6887=57...(21) HG13 ILE 52 + H VAL 54 OK 26 100 40 66 4.6-7.8 1.8/2365=19...(13) HG13 ILE 76 - H VAL 54 far 0 82 0 - 8.0-9.5 QB ALA 22 - H VAL 54 far 0 81 0 - 8.8-9.7 HB2 LEU 27 - H VAL 54 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 6890 from nnoeabs.peaks (1.47, 8.49, 120.76 ppm; 3.95 A): 4 out of 7 assignments used, quality = 1.00: * HG3 LYS 53 + H VAL 54 OK 99 100 100 99 3.2-5.2 3.0/6887=67, 3.9/6886=60...(22) HG2 LYS 53 + H VAL 54 OK 99 100 100 99 4.3-5.0 3.0/6887=67, 3.9/6886=60...(23) HD2 LYS 53 + H VAL 54 OK 97 99 100 98 3.4-4.3 3.6/6887=57...(20) HG13 ILE 52 + H VAL 54 OK 26 99 40 66 4.6-7.8 1.8/2365=19, 2.1/2381=16...(13) HG13 ILE 76 - H VAL 54 far 0 73 0 - 8.0-9.5 QB ALA 22 - H VAL 54 far 0 71 0 - 8.8-9.7 HB2 LEU 27 - H VAL 54 far 0 99 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 6891 from nnoeabs.peaks (1.46, 8.49, 120.76 ppm; 3.95 A): 4 out of 7 assignments used, quality = 1.00: HG2 LYS 53 + H VAL 54 OK 99 100 100 99 4.3-5.0 3.0/6887=67, 3.9/6886=60...(22) HG3 LYS 53 + H VAL 54 OK 98 99 100 99 3.2-5.2 3.0/6887=67, 3.9/6886=60...(22) * HD2 LYS 53 + H VAL 54 OK 98 100 100 98 3.4-4.3 3.6/6887=57...(21) HG13 ILE 52 + H VAL 54 OK 27 100 40 67 4.6-7.8 1.8/2365=19...(14) HG13 ILE 76 - H VAL 54 far 0 88 0 - 8.0-9.5 QB ALA 22 - H VAL 54 far 0 87 0 - 8.8-9.7 HB2 LEU 27 - H VAL 54 far 0 100 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 6892 from nnoeabs.peaks (1.55, 8.49, 120.76 ppm; 5.42 A): 5 out of 10 assignments used, quality = 1.00: * HD3 LYS 53 + H VAL 54 OK 100 100 100 100 3.1-5.3 3.6/6887=89...(16) HG12 ILE 56 + H VAL 54 OK 52 91 65 88 6.0-8.4 9689/11101=30...(14) HB2 LEU 3 + H VAL 54 OK 50 100 50 99 5.6-7.8 4.4/11100=63...(15) HG2 ARG 79 + H VAL 54 OK 44 94 60 78 3.5-7.7 3.0/3505=32, 3.0/3514=32...(9) HG3 ARG 79 + H VAL 54 OK 22 95 30 78 3.9-8.1 3.0/3505=32, 3.0/3514=32...(9) HG LEU 6 - H VAL 54 far 8 82 10 - 6.4-10.4 HG LEU 2 - H VAL 54 far 0 63 0 - 7.0-10.3 HB2 LEU 103 - H VAL 54 far 0 71 0 - 7.5-11.9 HG LEU 103 - H VAL 54 far 0 77 0 - 7.6-13.7 HB3 LEU 103 - H VAL 54 far 0 79 0 - 8.7-12.2 Violated in 0 structures by 0.00 A. Peak 6895 from nnoeabs.peaks (5.16, 8.49, 120.76 ppm; 3.58 A): 3 out of 4 assignments used, quality = 1.00: * HA VAL 54 + H VAL 54 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 78 + H VAL 54 OK 65 71 100 91 2.2-2.9 10348/6896=31, 3477=30...(20) HA LEU 3 + H VAL 54 OK 47 75 75 84 4.6-5.5 3.6/11100=32, 8064=18...(19) HA TYR 4 - H VAL 54 far 0 96 0 - 6.5-6.9 Violated in 0 structures by 0.00 A. Peak 6896 from nnoeabs.peaks (1.89, 8.49, 120.76 ppm; 3.32 A): 1 out of 3 assignments used, quality = 0.98: * HB VAL 54 + H VAL 54 OK 98 100 100 98 2.8-3.4 3.9=63, 2.1/6897=60...(14) HG LEU 42 - H VAL 54 far 0 99 0 - 8.0-11.1 HB VAL 5 - H VAL 54 far 0 87 0 - 8.1-9.3 Violated in 1 structures by 0.00 A. Peak 6897 from nnoeabs.peaks (0.65, 8.49, 120.76 ppm; 3.49 A): 1 out of 6 assignments used, quality = 0.99: * QG2 VAL 54 + H VAL 54 OK 99 100 100 99 2.4-2.9 2.1/6896=71, 4.0=66...(20) QD1 ILE 52 - H VAL 54 far 6 57 10 - 4.2-6.2 QD2 LEU 6 - H VAL 54 far 0 73 0 - 6.6-7.9 QD1 LEU 42 - H VAL 54 far 0 70 0 - 6.9-8.9 QD2 LEU 29 - H VAL 54 far 0 98 0 - 8.4-11.7 QD1 LEU 29 - H VAL 54 far 0 100 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 6898 from nnoeabs.peaks (0.76, 8.49, 120.76 ppm; 3.46 A): 2 out of 15 assignments used, quality = 1.00: * QG1 VAL 54 + H VAL 54 OK 99 100 100 99 3.9-4.0 2.1/6896=70, 2.1/6897=66...(18) QG1 VAL 78 + H VAL 54 OK 88 96 100 92 3.4-4.4 3.2/11101=48...(16) QG2 ILE 52 - H VAL 54 far 9 95 10 - 4.0-7.0 QD2 LEU 42 - H VAL 54 far 5 100 5 - 4.7-7.5 QD1 LEU 6 - H VAL 54 far 0 99 0 - 6.1-9.9 QD1 ILE 76 - H VAL 54 far 0 59 0 - 6.5-7.6 QG1 VAL 5 - H VAL 54 far 0 68 0 - 6.7-8.0 QD1 LEU 27 - H VAL 54 far 0 100 0 - 6.8-8.3 QD2 LEU 27 - H VAL 54 far 0 73 0 - 6.9-7.6 QD2 LEU 57 - H VAL 54 far 0 70 0 - 7.2-8.1 QG2 ILE 93 - H VAL 54 far 0 99 0 - 8.0-9.8 QD1 ILE 93 - H VAL 54 far 0 99 0 - 9.2-10.9 HG3 ARG 81 - H VAL 54 far 0 90 0 - 9.3-11.2 QD1 LEU 64 - H VAL 54 far 0 92 0 - 9.8-10.9 HG13 ILE 93 - H VAL 54 far 0 94 0 - 9.9-11.2 Violated in 18 structures by 0.13 A. Peak 6899 from nnoeabs.peaks (8.64, 8.49, 120.76 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H VAL 54 OK 100 100 100 100 3.9-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 6900 from nnoeabs.peaks (8.64, 8.64, 131.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H LEU 55 OK 100 100 - 100 Peak 6901 from nnoeabs.peaks (8.49, 8.64, 131.90 ppm; 4.40 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 54 + H LEU 55 OK 100 100 100 100 3.9-4.4 3.0/6902=88, 4.6=86...(13) H ARG 79 + H LEU 55 OK 96 99 100 97 4.2-5.1 11118/2.9=72...(9) H LYS 53 - H LEU 55 far 0 88 0 - 6.6-7.2 H ILE 7 - H LEU 55 far 0 73 0 - 7.4-8.4 H LEU 29 - H LEU 55 far 0 59 0 - 7.7-8.6 H LEU 2 - H LEU 55 far 0 93 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 6902 from nnoeabs.peaks (5.16, 8.64, 131.90 ppm; 2.91 A): 1 out of 5 assignments used, quality = 0.93: * HA VAL 54 + H LEU 55 OK 93 100 100 93 2.1-2.3 2486=61, 3.2/2504=31...(17) HA TYR 4 - H LEU 55 far 0 96 0 - 4.4-5.0 HA VAL 78 - H LEU 55 far 0 71 0 - 4.5-5.4 HA LEU 3 - H LEU 55 far 0 75 0 - 5.2-6.6 HA ILE 7 - H LEU 55 far 0 81 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 6903 from nnoeabs.peaks (1.89, 8.64, 131.90 ppm; 4.39 A): 2 out of 3 assignments used, quality = 1.00: * HB VAL 54 + H LEU 55 OK 100 100 100 100 3.6-4.3 4.5=93, 3.0/6902=87...(10) HB VAL 5 + H LEU 55 OK 86 87 100 99 4.5-5.4 3.0/9295=81...(13) HG LEU 42 - H LEU 55 far 0 99 0 - 7.4-11.1 Violated in 0 structures by 0.00 A. Peak 6904 from nnoeabs.peaks (0.65, 8.64, 131.90 ppm; 3.96 A): 2 out of 7 assignments used, quality = 1.00: * QG2 VAL 54 + H LEU 55 OK 100 100 100 100 4.0-4.4 4.1=89, 2.1/2504=75...(14) QD2 LEU 6 + H LEU 55 OK 56 73 100 76 4.0-5.1 4.6/9294=37...(10) QD2 LEU 29 - H LEU 55 poor 20 98 20 - 5.2-8.2 QD1 LEU 29 - H LEU 55 far 10 100 10 - 5.4-8.3 QD1 ILE 52 - H LEU 55 far 0 57 0 - 6.3-8.2 QD1 ILE 7 - H LEU 55 far 0 70 0 - 7.0-8.0 QD1 LEU 42 - H LEU 55 far 0 70 0 - 7.1-9.2 Violated in 5 structures by 0.02 A. Peak 6905 from nnoeabs.peaks (0.76, 8.64, 131.90 ppm; 3.17 A): 2 out of 16 assignments used, quality = 0.99: * QG1 VAL 54 + H LEU 55 OK 98 100 100 98 2.1-3.1 2504=59, 3.2/6902=50...(21) QG1 VAL 5 + H LEU 55 OK 62 68 100 92 3.4-4.5 3.2/9295=44...(18) QD1 LEU 6 - H LEU 55 poor 20 99 20 - 4.2-7.1 QD2 LEU 57 - H LEU 55 poor 14 70 20 - 4.3-5.3 QD2 LEU 42 - H LEU 55 far 5 100 5 - 4.6-7.2 QG1 VAL 78 - H LEU 55 far 0 96 0 - 5.0-6.2 QD1 LEU 27 - H LEU 55 far 0 100 0 - 5.0-6.1 QG2 ILE 93 - H LEU 55 far 0 99 0 - 5.3-7.3 QD2 LEU 27 - H LEU 55 far 0 73 0 - 5.4-6.8 QD1 ILE 93 - H LEU 55 far 0 99 0 - 6.0-7.8 HG13 ILE 93 - H LEU 55 far 0 94 0 - 6.5-7.8 QG2 ILE 52 - H LEU 55 far 0 95 0 - 6.9-9.2 QD1 ILE 76 - H LEU 55 far 0 59 0 - 7.7-9.1 HG3 ARG 81 - H LEU 55 far 0 90 0 - 7.8-10.0 QG2 ILE 7 - H LEU 55 far 0 63 0 - 8.8-9.7 QD1 LEU 64 - H LEU 55 far 0 92 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 6906 from nnoeabs.peaks (4.67, 8.64, 131.90 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + H LEU 55 OK 100 100 100 100 2.9-2.9 2.9=100 HA LEU 27 - H LEU 55 far 0 94 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 6907 from nnoeabs.peaks (-0.63, 8.64, 131.90 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + H LEU 55 OK 100 100 100 100 2.3-3.4 3.9=97, 1.8/6908=81...(14) Violated in 0 structures by 0.00 A. Peak 6908 from nnoeabs.peaks (1.03, 8.64, 131.90 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + H LEU 55 OK 100 100 100 100 2.3-3.4 3.9=78, 1.8/6907=65...(15) HB3 ARG 81 - H LEU 55 far 0 77 0 - 7.0-9.1 HG12 ILE 52 - H LEU 55 far 0 97 0 - 7.1-9.5 QG1 VAL 83 - H LEU 55 far 0 95 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 6909 from nnoeabs.peaks (0.96, 8.64, 131.90 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + H LEU 55 OK 100 100 100 100 4.1-4.5 3.0/6908=61, 3.0/6907=57...(14) QG2 VAL 5 + H LEU 55 OK 93 94 100 99 2.3-3.8 3.2/9295=62, 12108=51...(17) QG2 THR 80 - H LEU 55 far 0 96 0 - 6.9-7.6 HB2 ARG 81 - H LEU 55 far 0 73 0 - 8.3-10.8 QG2 VAL 83 - H LEU 55 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 6910 from nnoeabs.peaks (0.44, 8.64, 131.90 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + H LEU 55 OK 100 100 100 100 4.3-4.6 2537=100, 2538/2.9=88...(20) QD1 LEU 3 - H LEU 55 far 0 82 0 - 6.9-7.9 HG2 ARG 81 - H LEU 55 far 0 99 0 - 7.6-11.1 Violated in 0 structures by 0.00 A. Peak 6911 from nnoeabs.peaks (0.51, 8.64, 131.90 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + H LEU 55 OK 100 100 100 100 3.8-4.4 4.8=80, 3.1/6908=77...(15) Violated in 0 structures by 0.00 A. Peak 6912 from nnoeabs.peaks (9.19, 8.64, 131.90 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + H LEU 55 OK 100 100 100 100 4.4-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 6913 from nnoeabs.peaks (9.19, 9.19, 126.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + H ILE 56 OK 100 100 - 100 Peak 6914 from nnoeabs.peaks (8.64, 9.19, 126.37 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H ILE 56 OK 100 100 100 100 4.4-4.6 4.7=100 Violated in 0 structures by 0.00 A. Peak 6915 from nnoeabs.peaks (4.67, 9.19, 126.37 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.99: * HA LEU 55 + H ILE 56 OK 99 100 100 99 2.1-2.3 2512=88, 2538/2544=40...(21) HA LYS 82 - H ILE 56 far 0 75 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 6916 from nnoeabs.peaks (-0.63, 9.19, 126.37 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + H ILE 56 OK 100 100 100 100 3.8-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 6917 from nnoeabs.peaks (1.03, 9.19, 126.37 ppm; 4.27 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + H ILE 56 OK 100 100 100 100 3.8-4.4 4.5=87, 3.0/6915=81...(13) HB3 ARG 81 + H ILE 56 OK 68 77 100 88 3.4-5.1 4.0/9753=47...(11) QG1 VAL 83 - H ILE 56 far 0 95 0 - 6.6-7.4 HG2 LYS 82 - H ILE 56 far 0 68 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6918 from nnoeabs.peaks (0.96, 9.19, 126.37 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + H ILE 56 OK 100 100 100 100 2.3-3.2 2.1/2544=76, 3.7/6915=57...(21) QG2 THR 80 + H ILE 56 OK 95 96 100 100 3.8-4.4 10914=62, 3.2/9299=55...(18) HB2 ARG 81 - H ILE 56 poor 15 73 20 - 4.9-6.8 QG2 VAL 5 - H ILE 56 far 5 94 5 - 5.2-6.4 QG2 VAL 83 - H ILE 56 far 0 100 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 6919 from nnoeabs.peaks (0.44, 9.19, 126.37 ppm; 3.38 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + H ILE 56 OK 100 100 100 100 1.8-3.4 2544=95, 2538/6915=50...(24) HG2 ARG 81 + H ILE 56 OK 21 99 30 69 4.3-7.2 4.9/9753=22, 2.9/6917=16...(12) QD1 LEU 3 - H ILE 56 far 0 82 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 6920 from nnoeabs.peaks (0.51, 9.19, 126.37 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + H ILE 56 OK 100 100 100 100 3.9-4.7 2.1/2544=98, 4.0/6915=78...(12) Violated in 0 structures by 0.00 A. Peak 6921 from nnoeabs.peaks (4.88, 9.19, 126.37 ppm; 4.00 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 THR 31 - H ILE 56 far 0 99 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 6922 from nnoeabs.peaks (1.76, 9.19, 126.37 ppm; 3.47 A): 1 out of 5 assignments used, quality = 0.99: * HB ILE 56 + H ILE 56 OK 99 100 100 99 2.4-3.0 3.8=75, 10293/9299=40...(15) HB VAL 78 - H ILE 56 poor 18 95 25 77 4.5-5.8 4.4/9697=28...(12) HD2 ARG 81 - H ILE 56 far 0 61 0 - 6.3-7.6 HB3 LYS 82 - H ILE 56 far 0 100 0 - 9.2-10.8 HB3 GLU 63 - H ILE 56 far 0 96 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 6923 from nnoeabs.peaks (0.60, 9.19, 126.37 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + H ILE 56 OK 100 100 100 100 3.6-4.0 4.0=100 QD1 ILE 7 - H ILE 56 far 0 91 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 6924 from nnoeabs.peaks (1.53, 9.19, 126.37 ppm; 3.69 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 56 + H ILE 56 OK 99 100 100 99 2.0-4.6 2.9/6922=51, 2577=51...(22) HG2 ARG 79 + H ILE 56 OK 23 100 30 77 3.4-6.6 4.7/9697=30, 3.0/9698=21...(11) HG3 ARG 79 - H ILE 56 poor 19 100 25 77 3.8-6.3 4.7/9697=30, 3.0/9698=21...(11) HG LEU 6 - H ILE 56 far 15 100 15 - 4.9-7.6 HG LEU 57 - H ILE 56 far 0 77 0 - 5.8-6.5 HB3 LEU 103 - H ILE 56 far 0 99 0 - 7.0-14.4 HB ILE 7 - H ILE 56 far 0 99 0 - 8.1-8.9 HD3 LYS 53 - H ILE 56 far 0 91 0 - 8.4-11.1 HB2 LEU 3 - H ILE 56 far 0 90 0 - 9.4-11.6 Violated in 5 structures by 0.11 A. Peak 6925 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.34 A): 4 out of 18 assignments used, quality = 1.00: * HG13 ILE 56 + H ILE 56 OK 96 100 100 96 2.6-4.4 1.8/6924=43, 2.9/6922=42...(15) QD1 ILE 56 + H ILE 56 OK 95 100 100 96 2.0-4.5 2.1/6924=40, 3.2/6922=39...(25) QG1 VAL 5 + H ILE 56 OK 68 98 80 87 4.0-5.1 178/11108=26...(15) QG2 VAL 78 + H ILE 56 OK 48 100 65 73 4.1-5.2 4.3/9697=27, 3.2/9300=17...(16) HG3 ARG 81 - H ILE 56 far 0 85 0 - 5.2-6.4 QD1 LEU 64 - H ILE 56 far 0 82 0 - 5.3-6.3 QD1 ILE 8 - H ILE 56 far 0 100 0 - 5.4-7.0 QG1 VAL 58 - H ILE 56 far 0 100 0 - 5.4-6.0 QD2 LEU 6 - H ILE 56 far 0 81 0 - 5.6-6.6 QG1 VAL 78 - H ILE 56 far 0 75 0 - 5.8-6.9 QG2 VAL 58 - H ILE 56 far 0 59 0 - 6.4-7.2 HG13 ILE 93 - H ILE 56 far 0 79 0 - 6.9-8.0 QD1 LEU 42 - H ILE 56 far 0 84 0 - 7.1-8.3 QG2 ILE 93 - H ILE 56 far 0 65 0 - 7.4-8.7 QD2 LEU 27 - H ILE 56 far 0 96 0 - 8.8-10.1 QD2 LEU 14 - H ILE 56 far 0 100 0 - 8.9-9.9 QD1 LEU 14 - H ILE 56 far 0 63 0 - 9.0-9.7 QD1 ILE 52 - H ILE 56 far 0 92 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 6926 from nnoeabs.peaks (0.71, 9.19, 126.37 ppm; 3.51 A): 4 out of 17 assignments used, quality = 1.00: HG13 ILE 56 + H ILE 56 OK 98 100 100 98 2.6-4.4 1.8/6924=47, 2.9/6922=47...(15) * QD1 ILE 56 + H ILE 56 OK 97 100 100 97 2.0-4.5 2.1/6924=44, 3.2/6922=43...(25) QG1 VAL 5 + H ILE 56 OK 74 93 90 88 4.0-5.1 4.1/11108=27...(15) QG2 VAL 78 + H ILE 56 OK 56 97 75 77 4.1-5.2 4.3/9697=30, 3.2/9300=19...(16) HG3 ARG 81 - H ILE 56 far 0 73 0 - 5.2-6.4 QD1 LEU 64 - H ILE 56 far 0 70 0 - 5.3-6.3 QD1 ILE 8 - H ILE 56 far 0 100 0 - 5.4-7.0 QG1 VAL 58 - H ILE 56 far 0 98 0 - 5.4-6.0 QD2 LEU 6 - H ILE 56 far 0 91 0 - 5.6-6.6 QG1 VAL 78 - H ILE 56 far 0 61 0 - 5.8-6.9 QG2 VAL 58 - H ILE 56 far 0 73 0 - 6.4-7.2 HG13 ILE 93 - H ILE 56 far 0 65 0 - 6.9-8.0 QD1 LEU 42 - H ILE 56 far 0 93 0 - 7.1-8.3 QD2 LEU 27 - H ILE 56 far 0 90 0 - 8.8-10.1 QD2 LEU 14 - H ILE 56 far 0 100 0 - 8.9-9.9 QD1 LEU 14 - H ILE 56 far 0 77 0 - 9.0-9.7 QD1 ILE 52 - H ILE 56 far 0 98 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 6927 from nnoeabs.peaks (8.93, 9.19, 126.37 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + H ILE 56 OK 100 100 100 100 4.2-4.5 4.5=100 H VAL 5 - H ILE 56 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 6928 from nnoeabs.peaks (8.93, 8.93, 126.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + H LEU 57 OK 100 100 - 100 Peak 6929 from nnoeabs.peaks (9.19, 8.93, 126.55 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + H LEU 57 OK 100 100 100 100 4.2-4.5 4.5=100 H THR 84 - H LEU 57 far 0 98 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 6930 from nnoeabs.peaks (4.88, 8.93, 126.55 ppm; 2.97 A): 1 out of 3 assignments used, quality = 0.95: * HA ILE 56 + H LEU 57 OK 95 100 100 95 2.1-2.2 2560=68, 3.2/2576=35...(18) HA THR 31 - H LEU 57 far 0 99 0 - 6.2-6.9 HA ARG 30 - H LEU 57 far 0 75 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 6931 from nnoeabs.peaks (1.76, 8.93, 126.55 ppm; 4.06 A): 1 out of 8 assignments used, quality = 1.00: * HB ILE 56 + H LEU 57 OK 100 100 100 100 3.7-4.3 2.1/2576=81, 3.0/6930=79...(17) HB3 GLU 63 - H LEU 57 far 0 96 0 - 7.1-8.6 HB VAL 78 - H LEU 57 far 0 95 0 - 7.7-9.1 HD2 ARG 81 - H LEU 57 far 0 61 0 - 8.2-9.0 HB3 LYS 82 - H LEU 57 far 0 100 0 - 9.1-9.8 HG3 ARG 19 - H LEU 57 far 0 100 0 - 9.2-12.5 HB ILE 15 - H LEU 57 far 0 70 0 - 9.8-10.8 HD3 LYS 33 - H LEU 57 far 0 59 0 - 10.0-11.4 Violated in 11 structures by 0.05 A. Peak 6932 from nnoeabs.peaks (0.60, 8.93, 126.55 ppm; 3.38 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + H LEU 57 OK 100 100 100 100 2.1-3.0 2576=82, 3.2/6930=56...(29) QD1 ILE 7 + H LEU 57 OK 87 91 100 96 3.4-4.1 4.2/9332=35, 2.1/8246=29...(25) Violated in 0 structures by 0.00 A. Peak 6933 from nnoeabs.peaks (1.53, 8.93, 126.55 ppm; 3.78 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 7 + H LEU 57 OK 98 99 100 99 4.5-4.9 3.0/9332=60...(22) HG LEU 57 + H LEU 57 OK 77 77 100 99 4.1-4.4 3.0/6938=61, 2.1/2641=56...(20) * HG12 ILE 56 + H LEU 57 OK 75 100 75 99 4.5-5.4 3.2/2576=57, 3.9/6930=55...(22) HG LEU 6 - H LEU 57 far 10 100 10 - 5.1-6.7 HG2 ARG 79 - H LEU 57 far 0 100 0 - 7.6-10.7 HG3 ARG 79 - H LEU 57 far 0 100 0 - 8.2-10.4 HG3 ARG 30 - H LEU 57 far 0 100 0 - 9.1-10.5 HB2 LEU 14 - H LEU 57 far 0 99 0 - 9.8-10.6 HB3 LEU 103 - H LEU 57 far 0 99 0 - 9.8-17.8 Violated in 11 structures by 0.04 A. Peak 6934 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 3.40 A): 5 out of 17 assignments used, quality = 1.00: QG1 VAL 58 + H LEU 57 OK 91 100 100 91 3.7-4.2 10706/3.0=37...(19) QG1 VAL 5 + H LEU 57 OK 85 98 100 87 3.6-4.5 178/9333=32, 173=26...(22) QD1 ILE 8 + H LEU 57 OK 72 100 90 80 2.9-5.2 8313/2576=23...(20) QD1 ILE 56 + H LEU 57 OK 62 100 65 96 3.6-5.4 3.0/2576=49, 4.2/6930=41...(21) * HG13 ILE 56 + H LEU 57 OK 29 100 30 97 3.9-5.6 3.2/2576=47, 3.9/6930=45...(16) QG2 VAL 58 - H LEU 57 far 0 59 0 - 5.3-5.7 QD2 LEU 6 - H LEU 57 far 0 81 0 - 5.3-5.8 QD2 LEU 14 - H LEU 57 far 0 100 0 - 5.5-6.5 QD1 LEU 14 - H LEU 57 far 0 63 0 - 6.1-6.7 QD1 LEU 64 - H LEU 57 far 0 82 0 - 6.2-7.2 HG13 ILE 93 - H LEU 57 far 0 79 0 - 6.3-7.2 QG2 VAL 78 - H LEU 57 far 0 100 0 - 7.1-8.2 HG3 ARG 81 - H LEU 57 far 0 85 0 - 7.2-8.4 QG2 ILE 93 - H LEU 57 far 0 65 0 - 7.7-8.3 QD1 LEU 42 - H LEU 57 far 0 84 0 - 7.9-9.4 QG1 VAL 78 - H LEU 57 far 0 75 0 - 8.2-9.5 QD2 LEU 27 - H LEU 57 far 0 96 0 - 10.0-11.2 Violated in 1 structures by 0.00 A. Peak 6935 from nnoeabs.peaks (0.71, 8.93, 126.55 ppm; 3.50 A): 5 out of 16 assignments used, quality = 1.00: QG1 VAL 58 + H LEU 57 OK 90 98 100 92 3.7-4.2 10706/3.0=38...(19) QG1 VAL 5 + H LEU 57 OK 81 93 100 87 3.6-4.5 178/9333=31, 173=26...(22) QD1 ILE 8 + H LEU 57 OK 78 100 95 82 2.9-5.2 5.0/8292=25...(20) * QD1 ILE 56 + H LEU 57 OK 78 100 80 97 3.6-5.4 3.0/2576=51, 4.2/6930=43...(23) HG13 ILE 56 + H LEU 57 OK 29 100 30 98 3.9-5.6 3.2/2576=49, 3.9/6930=47...(16) QG2 VAL 58 - H LEU 57 far 0 73 0 - 5.3-5.7 QD2 LEU 6 - H LEU 57 far 0 91 0 - 5.3-5.8 QD2 LEU 14 - H LEU 57 far 0 100 0 - 5.5-6.5 QD1 LEU 14 - H LEU 57 far 0 77 0 - 6.1-6.7 QD1 LEU 64 - H LEU 57 far 0 70 0 - 6.2-7.2 HG13 ILE 93 - H LEU 57 far 0 65 0 - 6.3-7.2 QG2 VAL 78 - H LEU 57 far 0 97 0 - 7.1-8.2 HG3 ARG 81 - H LEU 57 far 0 73 0 - 7.2-8.4 QD1 LEU 42 - H LEU 57 far 0 93 0 - 7.9-9.4 QG1 VAL 78 - H LEU 57 far 0 61 0 - 8.2-9.5 QD2 LEU 27 - H LEU 57 far 0 90 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 6936 from nnoeabs.peaks (5.39, 8.93, 126.55 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + H LEU 57 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6937 from nnoeabs.peaks (1.20, 8.93, 126.55 ppm; 3.78 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 57 + H LEU 57 OK 100 100 100 100 3.6-3.8 3.9=88, 1.8/6938=79...(22) HB2 LEU 6 + H LEU 57 OK 91 96 100 96 3.6-4.6 4.0/9333=38, 4.3/8237=26...(24) QB ALA 18 - H LEU 57 far 0 73 0 - 5.5-6.3 HB2 LEU 29 - H LEU 57 far 0 65 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 6938 from nnoeabs.peaks (1.82, 8.93, 126.55 ppm; 3.57 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LEU 57 + H LEU 57 OK 100 100 100 100 2.4-2.8 3.9=74, 3.1/2641=41...(29) HB VAL 5 - H LEU 57 far 0 63 0 - 6.5-7.4 HB ILE 93 - H LEU 57 far 0 91 0 - 8.9-9.5 HB2 GLU 88 - H LEU 57 far 0 96 0 - 8.9-11.1 HB2 LYS 68 - H LEU 57 far 0 97 0 - 9.0-12.1 HB3 LYS 66 - H LEU 57 far 0 63 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 6939 from nnoeabs.peaks (1.50, 8.93, 126.55 ppm; 3.55 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 57 + H LEU 57 OK 99 100 100 99 4.1-4.4 3.0/6938=54, 2.1/2641=49...(20) HB ILE 7 + H LEU 57 OK 88 91 100 97 4.5-4.9 3.0/9332=53, 2.9/8246=31...(19) HG12 ILE 56 - H LEU 57 poor 15 77 20 - 4.5-5.4 HG LEU 6 - H LEU 57 far 0 87 0 - 5.1-6.7 HB3 LEU 64 - H LEU 57 far 0 99 0 - 6.6-8.2 HG2 ARG 79 - H LEU 57 far 0 71 0 - 7.6-10.7 HG3 ARG 79 - H LEU 57 far 0 70 0 - 8.2-10.4 HG LEU 64 - H LEU 57 far 0 91 0 - 8.5-10.0 HG3 ARG 30 - H LEU 57 far 0 79 0 - 9.1-10.5 HB2 LEU 14 - H LEU 57 far 0 91 0 - 9.8-10.6 HB3 LEU 103 - H LEU 57 far 0 90 0 - 9.8-17.8 Violated in 20 structures by 0.37 A. Peak 6940 from nnoeabs.peaks (0.80, 8.93, 126.55 ppm; 3.47 A): 3 out of 16 assignments used, quality = 1.00: * QD2 LEU 57 + H LEU 57 OK 99 100 100 99 2.1-2.7 3.1/6938=50, 2.1/2641=47...(28) QD1 LEU 57 + H LEU 57 OK 72 73 100 98 3.1-4.4 3.1/6938=50, 4.6=44...(21) QG2 ILE 7 + H LEU 57 OK 24 100 25 96 4.8-5.3 3.0/9332=51, 256/8292=33...(16) QG2 VAL 32 - H LEU 57 poor 13 65 35 56 4.7-5.7 10674/2576=11...(14) QD1 LEU 6 - H LEU 57 far 0 85 0 - 5.1-5.9 QD2 LEU 38 - H LEU 57 far 0 82 0 - 5.5-8.0 QD1 ILE 93 - H LEU 57 far 0 84 0 - 5.6-6.5 QG2 ILE 8 - H LEU 57 far 0 99 0 - 6.0-6.5 QG1 VAL 54 - H LEU 57 far 0 70 0 - 6.0-6.6 QD2 LEU 42 - H LEU 57 far 0 79 0 - 6.8-7.9 QD2 LEU 103 - H LEU 57 far 0 75 0 - 7.1-17.5 QG2 ILE 15 - H LEU 57 far 0 97 0 - 7.3-8.1 QD1 ILE 15 - H LEU 57 far 0 65 0 - 7.8-8.7 QD1 LEU 27 - H LEU 57 far 0 82 0 - 8.6-9.6 QD1 LEU 70 - H LEU 57 far 0 92 0 - 9.1-11.8 QD2 LEU 70 - H LEU 57 far 0 98 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 6941 from nnoeabs.peaks (0.83, 8.93, 126.55 ppm; 3.65 A): 4 out of 12 assignments used, quality = 1.00: * QD1 LEU 57 + H LEU 57 OK 100 100 100 100 3.1-4.4 2642/3.0=65, 2641=60...(21) QD2 LEU 57 + H LEU 57 OK 73 73 100 99 2.1-2.7 3.1/6938=55, 2.1/2641=52...(25) QG2 ILE 7 + H LEU 57 OK 65 79 85 97 4.8-5.3 3.0/9332=56, 2.1/6939=33...(16) QG2 VAL 32 + H LEU 57 OK 41 100 55 74 4.7-5.7 10674/2576=19...(14) QD1 LEU 38 - H LEU 57 far 0 71 0 - 5.4-9.1 QD2 LEU 38 - H LEU 57 far 0 100 0 - 5.5-8.0 QD1 LEU 103 - H LEU 57 far 0 63 0 - 7.0-17.1 QD2 LEU 103 - H LEU 57 far 0 100 0 - 7.1-17.5 QG2 ILE 15 - H LEU 57 far 0 94 0 - 7.3-8.1 QD2 LEU 64 - H LEU 57 far 0 68 0 - 8.2-9.2 QD1 LEU 70 - H LEU 57 far 0 98 0 - 9.1-11.8 QD2 LEU 70 - H LEU 57 far 0 92 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 6942 from nnoeabs.peaks (8.54, 8.93, 126.55 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 58 + H LEU 57 OK 100 100 100 100 3.8-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 6943 from nnoeabs.peaks (8.54, 8.54, 114.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 58 + H VAL 58 OK 100 100 - 100 Peak 6944 from nnoeabs.peaks (8.93, 8.54, 114.40 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + H VAL 58 OK 100 100 100 100 3.8-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 6945 from nnoeabs.peaks (5.39, 8.54, 114.40 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 57 + H VAL 58 OK 99 100 100 99 2.2-2.2 2608=77, 2642/2648=31...(20) Violated in 0 structures by 0.00 A. Peak 6946 from nnoeabs.peaks (1.20, 8.54, 114.40 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LEU 57 + H VAL 58 OK 100 100 100 100 3.7-4.0 2.9/6945=82, 4.6=68...(16) HB2 LEU 6 - H VAL 58 far 0 96 0 - 7.1-8.0 QB ALA 18 - H VAL 58 far 0 73 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 6947 from nnoeabs.peaks (1.82, 8.54, 114.40 ppm; 4.42 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 57 + H VAL 58 OK 100 100 100 100 4.3-4.5 2.9/6945=89, 4.6=86...(19) HB2 LYS 68 - H VAL 58 far 0 97 0 - 7.6-10.5 HB2 GLU 88 - H VAL 58 far 0 96 0 - 7.6-9.6 HB3 LYS 66 - H VAL 58 far 0 63 0 - 8.5-9.3 Violated in 15 structures by 0.06 A. Peak 6948 from nnoeabs.peaks (1.50, 8.54, 114.40 ppm; 4.74 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 57 + H VAL 58 OK 100 100 100 100 5.6-5.8 2.1/2648=92, 3.0/6946=77...(13) HB3 LEU 64 + H VAL 58 OK 93 99 100 95 3.6-4.6 9477/4.0=40...(15) HG LEU 64 - H VAL 58 far 0 91 0 - 6.3-7.1 HG12 ILE 56 - H VAL 58 far 0 77 0 - 6.8-7.4 HB ILE 7 - H VAL 58 far 0 91 0 - 7.4-7.6 HG2 ARG 79 - H VAL 58 far 0 71 0 - 8.2-11.7 HG LEU 6 - H VAL 58 far 0 87 0 - 8.6-10.0 HG2 LYS 66 - H VAL 58 far 0 99 0 - 8.8-11.5 HG3 ARG 79 - H VAL 58 far 0 70 0 - 9.0-11.8 HB2 LEU 14 - H VAL 58 far 0 91 0 - 9.2-10.5 HG3 LYS 66 - H VAL 58 far 0 99 0 - 9.7-11.6 HB3 LEU 103 - H VAL 58 far 0 90 0 - 9.7-19.0 Violated in 0 structures by 0.00 A. Peak 6949 from nnoeabs.peaks (0.80, 8.54, 114.40 ppm; 3.67 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 57 + H VAL 58 OK 99 100 100 99 3.9-4.9 2.1/2648=65, 4.0/6945=51...(15) QD1 LEU 57 + H VAL 58 OK 72 73 100 99 3.6-4.0 2648=57, 4.0/6945=51...(14) QG2 ILE 8 - H VAL 58 far 5 99 5 - 5.1-6.1 QG2 ILE 7 - H VAL 58 far 0 100 0 - 6.5-6.8 QG2 VAL 32 - H VAL 58 far 0 65 0 - 6.5-7.8 QD2 LEU 38 - H VAL 58 far 0 82 0 - 6.8-8.1 QD2 LEU 103 - H VAL 58 far 0 75 0 - 7.3-18.7 QD1 LEU 6 - H VAL 58 far 0 85 0 - 7.4-8.9 QD1 ILE 93 - H VAL 58 far 0 84 0 - 7.7-8.7 QD1 ILE 15 - H VAL 58 far 0 65 0 - 8.2-9.0 QD2 LEU 42 - H VAL 58 far 0 79 0 - 8.9-10.1 QG1 VAL 54 - H VAL 58 far 0 70 0 - 8.9-9.6 QG2 ILE 15 - H VAL 58 far 0 97 0 - 9.1-9.9 QD1 LEU 70 - H VAL 58 far 0 92 0 - 9.7-11.9 Violated in 1 structures by 0.01 A. Peak 6950 from nnoeabs.peaks (0.83, 8.54, 114.40 ppm; 3.64 A): 2 out of 11 assignments used, quality = 1.00: * QD1 LEU 57 + H VAL 58 OK 100 100 100 100 3.6-4.0 2648=86, 2642/6945=65...(15) QD2 LEU 57 + H VAL 58 OK 72 73 100 98 3.9-4.9 2.1/2648=64, 4.0/6945=50...(14) QD2 LEU 64 - H VAL 58 far 0 68 0 - 5.4-6.2 QD1 LEU 38 - H VAL 58 far 0 71 0 - 6.3-9.7 QG2 ILE 7 - H VAL 58 far 0 79 0 - 6.5-6.8 QG2 VAL 32 - H VAL 58 far 0 100 0 - 6.5-7.8 QD2 LEU 38 - H VAL 58 far 0 100 0 - 6.8-8.1 QD1 LEU 103 - H VAL 58 far 0 63 0 - 7.1-18.0 QD2 LEU 103 - H VAL 58 far 0 100 0 - 7.3-18.7 QG2 ILE 15 - H VAL 58 far 0 94 0 - 9.1-9.9 QD1 LEU 70 - H VAL 58 far 0 98 0 - 9.7-11.9 Violated in 2 structures by 0.01 A. Peak 6951 from nnoeabs.peaks (5.25, 8.54, 114.40 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + H VAL 58 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6952 from nnoeabs.peaks (2.60, 8.54, 114.40 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + H VAL 58 OK 100 100 100 100 3.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 6953 from nnoeabs.peaks (0.68, 8.54, 114.40 ppm; 3.10 A): 2 out of 10 assignments used, quality = 0.98: * QG2 VAL 58 + H VAL 58 OK 97 100 100 97 2.1-2.3 2661=53, 2.1/2667=47...(22) QD1 ILE 8 + H VAL 58 OK 26 70 45 82 3.6-5.5 2670/2667=17...(19) QD1 LEU 14 - H VAL 58 far 0 100 0 - 5.4-6.4 QD1 ILE 56 - H VAL 58 far 0 73 0 - 5.5-6.7 QD2 LEU 14 - H VAL 58 far 0 71 0 - 5.5-6.7 HG13 ILE 56 - H VAL 58 far 0 59 0 - 6.4-7.4 QD1 LEU 29 - H VAL 58 far 0 90 0 - 7.0-9.7 QD2 LEU 29 - H VAL 58 far 0 71 0 - 7.7-9.6 QD2 LEU 6 - H VAL 58 far 0 99 0 - 8.0-9.0 QD1 LEU 42 - H VAL 58 far 0 98 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 6954 from nnoeabs.peaks (0.72, 8.54, 114.40 ppm; 3.26 A): 3 out of 14 assignments used, quality = 1.00: * QG1 VAL 58 + H VAL 58 OK 97 100 100 97 2.2-2.7 2667=66, 2.1/2661=43...(21) QD1 LEU 64 + H VAL 58 OK 63 91 95 73 3.8-4.8 7328/9770=16...(12) QD1 ILE 8 + H VAL 58 OK 61 99 70 89 3.6-5.5 2653/3.0=25, 8307/4.0=19...(21) QD1 ILE 56 - H VAL 58 far 0 98 0 - 5.5-6.7 QD2 LEU 14 - H VAL 58 far 0 98 0 - 5.5-6.7 HG13 ILE 56 - H VAL 58 far 0 100 0 - 6.4-7.4 QG1 VAL 5 - H VAL 58 far 0 100 0 - 6.6-7.6 HG3 ARG 81 - H VAL 58 far 0 93 0 - 6.7-7.7 QD2 LEU 6 - H VAL 58 far 0 70 0 - 8.0-9.0 QG2 VAL 78 - H VAL 58 far 0 100 0 - 8.1-9.2 QD1 ILE 15 - H VAL 58 far 0 59 0 - 8.2-9.0 HG13 ILE 93 - H VAL 58 far 0 88 0 - 8.8-10.2 HG13 ILE 15 - H VAL 58 far 0 70 0 - 9.0-10.0 QD1 LEU 42 - H VAL 58 far 0 73 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 6955 from nnoeabs.peaks (8.80, 8.54, 114.40 ppm; 4.27 A): 3 out of 3 assignments used, quality = 1.00: * H SER 59 + H VAL 58 OK 100 100 100 100 4.4-4.5 6958/3.0=81, 4.7=77...(15) H ILE 8 + H VAL 58 OK 99 100 100 99 4.2-4.5 8298/3.0=70, 11112=46...(12) H ARG 81 + H VAL 58 OK 57 59 100 96 3.0-4.4 10926=49, 11122/6945=36...(22) Violated in 0 structures by 0.00 A. Peak 6956 from nnoeabs.peaks (8.80, 8.80, 115.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 59 + H SER 59 OK 100 100 - 100 Peak 6957 from nnoeabs.peaks (8.54, 8.80, 115.50 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 58 + H SER 59 OK 100 100 100 100 4.4-4.5 4.7=100 H ASP 61 + H SER 59 OK 52 68 95 81 6.3-6.4 4.6/6967=69...(3) Violated in 0 structures by 0.00 A. Peak 6958 from nnoeabs.peaks (5.25, 8.80, 115.50 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.99: * HA VAL 58 + H SER 59 OK 99 100 100 99 2.6-2.7 3.6=73, 3.0/6959=48...(16) Violated in 0 structures by 0.00 A. Peak 6959 from nnoeabs.peaks (2.60, 8.80, 115.50 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.99: * HB VAL 58 + H SER 59 OK 99 100 100 99 1.9-2.2 3.0/6958=52...(18) Violated in 0 structures by 0.00 A. Peak 6960 from nnoeabs.peaks (0.68, 8.80, 115.50 ppm; 3.62 A): 2 out of 9 assignments used, quality = 1.00: * QG2 VAL 58 + H SER 59 OK 100 100 100 100 2.4-3.1 2.1/6959=75, 4.2=62...(23) QD1 ILE 8 + H SER 59 OK 45 70 70 93 4.5-5.5 3.0/9396=42, 3.2/9400=41...(17) QD2 LEU 14 - H SER 59 far 4 71 5 - 4.9-6.2 QD1 LEU 14 - H SER 59 far 0 100 0 - 5.7-6.6 QD1 ILE 56 - H SER 59 far 0 73 0 - 7.6-9.5 QD1 LEU 29 - H SER 59 far 0 90 0 - 8.9-11.0 HG13 ILE 56 - H SER 59 far 0 59 0 - 9.2-10.9 QD2 LEU 29 - H SER 59 far 0 71 0 - 9.3-10.9 QD2 LEU 6 - H SER 59 far 0 99 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 6961 from nnoeabs.peaks (0.72, 8.80, 115.50 ppm; 3.57 A): 2 out of 10 assignments used, quality = 1.00: * QG1 VAL 58 + H SER 59 OK 100 100 100 100 3.5-3.8 2.1/6959=73, 4.2=60...(26) QD1 ILE 8 + H SER 59 OK 61 99 65 95 4.5-5.5 3.0/9396=40, 3.2/9400=40...(18) QD2 LEU 14 - H SER 59 far 5 98 5 - 4.9-6.2 QD1 LEU 64 - H SER 59 far 0 91 0 - 6.0-7.2 QD1 ILE 15 - H SER 59 far 0 59 0 - 6.4-7.7 QD1 ILE 56 - H SER 59 far 0 98 0 - 7.6-9.5 HG13 ILE 15 - H SER 59 far 0 70 0 - 7.8-9.2 HG13 ILE 56 - H SER 59 far 0 100 0 - 9.2-10.9 QG1 VAL 5 - H SER 59 far 0 100 0 - 9.5-10.4 QD2 LEU 6 - H SER 59 far 0 70 0 - 9.8-11.1 Violated in 12 structures by 0.03 A. Peak 6962 from nnoeabs.peaks (5.06, 8.80, 115.50 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 59 + H SER 59 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 6963 from nnoeabs.peaks (4.16, 8.80, 115.50 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: * HB2 SER 59 + H SER 59 OK 99 100 100 99 2.4-3.8 4.0=88, 1.8/6964=76...(8) HA GLU 62 - H SER 59 far 0 63 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 6964 from nnoeabs.peaks (4.04, 8.80, 115.50 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.99: * HB3 SER 59 + H SER 59 OK 99 100 100 99 2.5-3.8 4.0=86, 1.8/6963=74...(10) Violated in 0 structures by 0.00 A. Peak 6965 from nnoeabs.peaks (7.73, 8.80, 115.50 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + H SER 59 OK 100 100 100 100 1.8-2.1 6967=100, 9410/6959=41...(17) H LEU 64 - H SER 59 far 10 98 10 - 4.7-5.3 Violated in 0 structures by 0.00 A. Peak 6966 from nnoeabs.peaks (7.73, 7.73, 117.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 60 + H ASN 60 OK 100 100 - 100 Peak 6967 from nnoeabs.peaks (8.80, 7.73, 117.52 ppm; 3.14 A): 1 out of 3 assignments used, quality = 0.99: * H SER 59 + H ASN 60 OK 99 100 100 99 1.8-2.1 6965=89, 6959/9410=38...(17) H ILE 8 - H ASN 60 far 0 100 0 - 6.2-6.7 H ARG 81 - H ASN 60 far 0 59 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 6968 from nnoeabs.peaks (5.06, 7.73, 117.52 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 59 + H ASN 60 OK 100 100 100 100 3.1-3.4 3.6=100 Violated in 0 structures by 0.00 A. Peak 6969 from nnoeabs.peaks (4.16, 7.73, 117.52 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 59 + H ASN 60 OK 100 100 100 100 3.5-4.4 4.6=90, 1.8/6970=74...(10) HA GLU 62 - H ASN 60 far 0 63 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 6970 from nnoeabs.peaks (4.04, 7.73, 117.52 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: * HB3 SER 59 + H ASN 60 OK 99 100 100 99 3.8-4.6 4.6=99 Violated in 0 structures by 0.00 A. Peak 6971 from nnoeabs.peaks (4.81, 7.73, 117.52 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 60 + H ASN 60 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 83 - H ASN 60 far 0 96 0 - 7.0-7.6 Violated in 0 structures by 0.00 A. Peak 6972 from nnoeabs.peaks (2.89, 7.73, 117.52 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 60 + H ASN 60 OK 100 100 100 100 2.6-3.0 4.0=100 HE3 LYS 82 + H ASN 60 OK 27 63 45 95 5.1-6.6 3.9/9417=44, 3.9/9418=35...(11) HB2 ASN 10 - H ASN 60 far 0 65 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 6973 from nnoeabs.peaks (3.06, 7.73, 117.52 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + H ASN 60 OK 100 100 100 100 3.6-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 6974 from nnoeabs.peaks (6.87, 7.73, 117.52 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + H ASN 60 OK 100 100 100 100 2.4-3.9 1.7/6975=88, 2692/3.0=85...(10) Violated in 0 structures by 0.00 A. Peak 6975 from nnoeabs.peaks (7.37, 7.73, 117.52 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + H ASN 60 OK 100 100 100 100 3.8-4.9 6984=78, 1.7/6974=73...(9) Violated in 0 structures by 0.00 A. Peak 6976 from nnoeabs.peaks (8.58, 7.73, 117.52 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 61 + H ASN 60 OK 100 100 100 100 4.4-4.5 4.6=100 H VAL 58 + H ASN 60 OK 67 68 100 100 4.9-5.3 3.0/9422=86, 4.0/9410=80...(12) Violated in 0 structures by 0.00 A. Peak 6977 from nnoeabs.peaks (6.87, 6.87, 113.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + HD21 ASN 60 OK 100 100 - 100 Peak 6978 from nnoeabs.peaks (7.73, 6.87, 113.68 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 60 + HD21 ASN 60 OK 100 100 100 100 2.4-3.9 6974=99, 6975/1.7=88...(10) H LEU 64 + HD21 ASN 60 OK 85 98 90 97 5.2-6.8 7032/9464=48...(11) Violated in 0 structures by 0.00 A. Peak 6979 from nnoeabs.peaks (4.81, 6.87, 113.68 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 60 + HD21 ASN 60 OK 100 100 100 100 3.1-4.4 4.5=100 HA VAL 83 - HD21 ASN 60 far 0 96 0 - 8.7-10.8 HA THR 34 - HD21 ASN 60 far 0 75 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 6980 from nnoeabs.peaks (2.89, 6.87, 113.68 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 60 + HD21 ASN 60 OK 100 100 100 100 2.1-2.5 3.5=100 HB2 ASN 10 - HD21 ASN 60 far 0 65 0 - 5.6-8.7 HE3 LYS 82 - HD21 ASN 60 far 0 63 0 - 6.7-9.2 HE2 LYS 66 - HD21 ASN 60 far 0 100 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 6981 from nnoeabs.peaks (3.06, 6.87, 113.68 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HD21 ASN 60 OK 100 100 100 100 3.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 6982 from nnoeabs.peaks (7.37, 6.87, 113.68 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HD21 ASN 60 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6983 from nnoeabs.peaks (7.37, 7.37, 113.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HD22 ASN 60 OK 100 100 - 100 Peak 6984 from nnoeabs.peaks (7.73, 7.37, 113.68 ppm; 5.39 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + HD22 ASN 60 OK 100 100 100 100 3.8-4.9 6975=100, 6974/1.7=84...(9) H LEU 64 - HD22 ASN 60 far 0 98 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. Peak 6985 from nnoeabs.peaks (4.81, 7.37, 113.68 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 60 + HD22 ASN 60 OK 100 100 100 100 3.8-4.7 4.5=100 HA VAL 83 - HD22 ASN 60 far 0 96 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 6986 from nnoeabs.peaks (2.89, 7.37, 113.68 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 60 + HD22 ASN 60 OK 100 100 100 100 3.4-3.6 3.5=100 HB2 ASN 10 - HD22 ASN 60 far 3 65 5 - 5.0-7.7 HE3 LYS 82 - HD22 ASN 60 far 0 63 0 - 7.3-10.0 Violated in 0 structures by 0.00 A. Peak 6987 from nnoeabs.peaks (3.06, 7.37, 113.68 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HD22 ASN 60 OK 100 100 100 100 3.9-4.1 3.5=100 Violated in 18 structures by 0.05 A. Peak 6988 from nnoeabs.peaks (6.87, 7.37, 113.68 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + HD22 ASN 60 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 6989 from nnoeabs.peaks (8.58, 8.58, 119.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 61 + H ASP 61 OK 100 100 - 100 Peak 6990 from nnoeabs.peaks (7.73, 8.58, 119.43 ppm; 4.97 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 60 + H ASP 61 OK 100 100 100 100 4.4-4.5 4.6=100 H LEU 64 + H ASP 61 OK 97 98 100 100 4.8-5.1 9470/3.0=82...(18) Violated in 0 structures by 0.00 A. Peak 6991 from nnoeabs.peaks (4.81, 8.58, 119.43 ppm; 3.22 A): 1 out of 2 assignments used, quality = 0.94: * HA ASN 60 + H ASP 61 OK 94 100 100 94 2.4-2.5 3.6=74, 3.0/6993=42...(8) HA VAL 83 - H ASP 61 far 0 96 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 6992 from nnoeabs.peaks (2.89, 8.58, 119.43 ppm; 3.97 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ASN 60 + H ASP 61 OK 100 100 100 100 3.3-3.9 1.8/6993=82, 2701=77...(8) HE3 LYS 82 + H ASP 61 OK 44 63 75 92 3.9-5.8 3.0/9443=41, 1.8/6998=32...(11) HE2 LYS 66 - H ASP 61 far 0 100 0 - 9.3-12.8 HE3 LYS 66 - H ASP 61 far 0 99 0 - 9.3-12.7 HE2 LYS 68 - H ASP 61 far 0 94 0 - 9.7-13.5 HE3 LYS 68 - H ASP 61 far 0 96 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 6993 from nnoeabs.peaks (3.06, 8.58, 119.43 ppm; 3.70 A): 1 out of 2 assignments used, quality = 0.98: * HB3 ASN 60 + H ASP 61 OK 98 100 100 98 2.3-2.6 2708=72, 3.0/6991=64...(7) HB3 HIS 106 - H ASP 61 far 0 100 0 - 9.8-27.6 Violated in 0 structures by 0.00 A. Peak 6996 from nnoeabs.peaks (4.37, 8.58, 119.43 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 61 + H ASP 61 OK 100 100 100 100 2.8-2.9 3.0=100 HA ARG 81 - H ASP 61 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 6997 from nnoeabs.peaks (2.51, 8.58, 119.43 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.93: * HB2 ASP 61 + H ASP 61 OK 93 100 100 93 2.2-3.6 4.0=79, 7003/7001=48...(8) HG3 GLU 63 - H ASP 61 far 10 100 10 - 4.7-6.9 Violated in 0 structures by 0.00 A. Peak 6998 from nnoeabs.peaks (2.73, 8.58, 119.43 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HB3 ASP 61 + H ASP 61 OK 100 100 100 100 2.1-3.6 4.0=100 HE2 LYS 82 + H ASP 61 OK 81 100 90 90 4.1-5.8 3.0/9443=44, 9769/3.0=31...(12) HB2 ASP 65 - H ASP 61 far 0 94 0 - 6.4-8.2 Violated in 0 structures by 0.00 A. Peak 6999 from nnoeabs.peaks (8.40, 8.58, 119.43 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 62 + H ASP 61 OK 100 100 100 100 2.4-2.6 7001=100, 7003/6997=51...(13) H GLU 63 + H ASP 61 OK 79 91 100 87 4.0-4.7 4.5/7001=39, 9456/3.0=28...(12) Violated in 0 structures by 0.00 A. Peak 7000 from nnoeabs.peaks (8.40, 8.40, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 62 + H GLU 62 OK 100 100 - 100 Peak 7001 from nnoeabs.peaks (8.58, 8.40, 122.15 ppm; 3.80 A): 1 out of 2 assignments used, quality = 0.98: * H ASP 61 + H GLU 62 OK 98 100 100 98 2.4-2.6 4.5=59, 6997/7003=50...(14) H VAL 58 - H GLU 62 far 0 68 0 - 8.6-9.3 Violated in 0 structures by 0.00 A. Peak 7002 from nnoeabs.peaks (4.37, 8.40, 122.15 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 61 + H GLU 62 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7003 from nnoeabs.peaks (2.51, 8.40, 122.15 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.95: * HB2 ASP 61 + H GLU 62 OK 95 100 100 95 3.0-4.1 4.4=54, 1.8/7004=42...(15) HG3 GLU 63 - H GLU 62 far 10 100 10 - 3.9-5.5 Violated in 13 structures by 0.13 A. Peak 7004 from nnoeabs.peaks (2.73, 8.40, 122.15 ppm; 3.93 A): 2 out of 3 assignments used, quality = 0.99: * HB3 ASP 61 + H GLU 62 OK 99 100 100 99 3.2-4.3 1.8/7003=84, 4.4=72...(12) HB2 ASP 65 + H GLU 62 OK 48 94 55 94 4.9-6.4 ~2864=38, 2732/3.0=36...(14) HE2 LYS 82 - H GLU 62 far 5 100 5 - 5.1-7.7 Violated in 10 structures by 0.05 A. Peak 7005 from nnoeabs.peaks (4.12, 8.40, 122.15 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 62 + H GLU 62 OK 100 100 100 100 2.8-2.9 3.0=100 HB2 SER 59 - H GLU 62 far 0 63 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 7006 from nnoeabs.peaks (2.02, 8.40, 122.15 ppm; 3.13 A): 1 out of 1 assignment used, quality = 0.96: * HB2 GLU 62 + H GLU 62 OK 96 100 100 96 2.1-3.1 1.8/7007=73, 4.0=47...(15) Violated in 1 structures by 0.00 A. Peak 7007 from nnoeabs.peaks (2.09, 8.40, 122.15 ppm; 2.98 A): 1 out of 4 assignments used, quality = 0.91: * HB3 GLU 62 + H GLU 62 OK 91 100 100 91 2.1-3.6 1.8/7006=63, 4.0=41...(15) HB2 LEU 64 - H GLU 62 far 0 87 0 - 4.5-5.3 HG2 GLU 69 - H GLU 62 far 0 61 0 - 9.1-12.6 HB3 GLU 35 - H GLU 62 far 0 99 0 - 9.9-13.2 Violated in 19 structures by 0.17 A. Peak 7008 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 3.45 A): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 62 + H GLU 62 OK 98 100 100 98 1.9-4.0 2.9/7007=63, 2.9/7006=60...(16) HG3 GLU 62 + H GLU 62 OK 98 100 100 98 3.4-4.4 2.9/7007=63, 2.9/7006=60...(13) HG2 GLU 63 + H GLU 62 OK 59 73 100 80 3.4-4.1 3.8/10741=25...(13) Violated in 0 structures by 0.00 A. Peak 7009 from nnoeabs.peaks (2.26, 8.40, 122.15 ppm; 3.45 A): 3 out of 3 assignments used, quality = 1.00: HG2 GLU 62 + H GLU 62 OK 98 100 100 98 1.9-4.0 2.9/7007=63, 2.9/7006=60...(16) * HG3 GLU 62 + H GLU 62 OK 98 100 100 98 3.4-4.4 2.9/7007=63, 2.9/7006=60...(13) HG2 GLU 63 + H GLU 62 OK 59 73 100 80 3.4-4.1 3.8/10741=25...(13) Violated in 0 structures by 0.00 A. Peak 7010 from nnoeabs.peaks (8.38, 8.40, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.91: H GLU 62 + H GLU 62 OK 91 91 - 100 Reference assignment not found: H GLU 63 - H GLU 62 Peak 7011 from nnoeabs.peaks (7.72, 8.40, 122.15 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 64 + H GLU 62 OK 100 100 100 100 3.7-4.3 9470/3.6=58, 7027=53...(23) H ASN 60 + H GLU 62 OK 97 98 100 99 4.7-5.4 4.0/9454=48, 4.0/9453=45...(17) Violated in 0 structures by 0.00 A. Peak 7012 from nnoeabs.peaks (8.38, 8.38, 119.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 63 + H GLU 63 OK 100 100 - 100 H TYR 4 + H TYR 4 OK 45 45 - 100 Peak 7013 from nnoeabs.peaks (8.40, 8.38, 119.08 ppm; diagonal): 1 out of 1 assignment used, quality = 0.91: H GLU 63 + H GLU 63 OK 91 91 - 100 Reference assignment not found: H GLU 62 - H GLU 63 Peak 7014 from nnoeabs.peaks (4.12, 8.38, 119.08 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 62 + H GLU 63 OK 100 100 100 100 3.5-3.6 3.6=100 HB2 SER 59 - H GLU 63 far 0 63 0 - 6.6-8.1 HA MET 1 - H TYR 4 far 0 31 0 - 9.0-9.7 HA GLU 23 - H TYR 4 far 0 44 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7015 from nnoeabs.peaks (2.02, 8.38, 119.08 ppm; 3.74 A): 1 out of 9 assignments used, quality = 0.94: * HB2 GLU 62 + H GLU 63 OK 94 100 100 94 2.5-4.0 4.6=52, 1.8/7016=43...(11) QE MET 1 - H TYR 4 far 0 28 0 - 6.3-8.2 HG12 ILE 93 - H TYR 4 far 0 47 0 - 7.3-9.8 HB3 MET 1 - H TYR 4 far 0 54 0 - 8.0-9.8 HB2 GLU 35 - H GLU 63 far 0 99 0 - 8.4-10.9 HB2 GLU 99 - H TYR 4 far 0 40 0 - 9.2-11.7 HB3 GLU 48 - H TYR 4 far 0 36 0 - 9.4-12.7 HB3 GLU 99 - H TYR 4 far 0 47 0 - 9.4-12.2 HB2 GLU 44 - H TYR 4 far 0 53 0 - 9.9-12.0 Violated in 3 structures by 0.02 A. Peak 7016 from nnoeabs.peaks (2.09, 8.38, 119.08 ppm; 3.70 A): 2 out of 10 assignments used, quality = 0.99: * HB3 GLU 62 + H GLU 63 OK 96 100 100 96 2.8-4.1 1.8/7015=73, 4.6=51...(10) HB2 LEU 64 + H GLU 63 OK 70 87 100 80 4.3-4.7 3.9/7029=25...(13) HG3 GLU 28 - H TYR 4 far 0 44 0 - 6.9-9.3 HB3 GLU 35 - H GLU 63 far 0 99 0 - 8.0-11.4 HG2 GLU 28 - H TYR 4 far 0 44 0 - 8.2-9.6 HG2 GLU 69 - H GLU 63 far 0 61 0 - 8.7-11.6 QE MET 21 - H TYR 4 far 0 56 0 - 8.9-11.0 HB3 LEU 38 - H GLU 63 far 0 96 0 - 8.9-11.5 HB3 GLU 69 - H GLU 63 far 0 61 0 - 9.4-12.3 HB2 GLU 69 - H GLU 63 far 0 61 0 - 9.5-10.9 Violated in 16 structures by 0.04 A. Peak 7017 from nnoeabs.peaks (2.26, 8.38, 119.08 ppm; 3.62 A): 4 out of 6 assignments used, quality = 1.00: * HG2 GLU 62 + H GLU 63 OK 94 100 100 94 1.9-2.8 2.9/7015=54, 2.9/7016=32...(16) HG3 GLU 62 + H GLU 63 OK 90 100 100 90 2.3-3.8 2.9/7015=54, 2.9/7016=32...(10) HG2 GLU 63 + H GLU 63 OK 73 73 100 99 1.5-1.8 1.8/7023=76, 3.0/2772=57...(19) HB2 TYR 4 + H TYR 4 OK 39 40 100 97 2.5-2.8 3.8=88, 6048/4.6=18...(11) HB2 GLU 48 - H TYR 4 far 0 32 0 - 9.2-12.2 HG2 GLU 23 - H TYR 4 far 0 57 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 7018 from nnoeabs.peaks (2.26, 8.38, 119.08 ppm; 3.62 A): 4 out of 6 assignments used, quality = 1.00: HG2 GLU 62 + H GLU 63 OK 94 100 100 94 1.9-2.8 2.9/7015=54, 2.9/7016=32...(16) * HG3 GLU 62 + H GLU 63 OK 90 100 100 90 2.3-3.8 2.9/7015=54, 2.9/7016=32...(10) HG2 GLU 63 + H GLU 63 OK 73 73 100 99 1.5-1.8 1.8/7023=76, 3.0/2772=57...(19) HB2 TYR 4 + H TYR 4 OK 39 40 100 97 2.5-2.8 3.8=88, 6048/4.6=18...(11) HB2 GLU 48 - H TYR 4 far 0 32 0 - 9.2-12.2 HG2 GLU 23 - H TYR 4 far 0 57 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 7019 from nnoeabs.peaks (3.91, 8.38, 119.08 ppm; 3.70 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 63 + H GLU 63 OK 100 100 100 100 2.8-2.9 2.9=100 HA3 GLY 101 - H TYR 4 far 0 48 0 - 6.1-9.6 HB2 SER 97 - H TYR 4 far 0 31 0 - 6.8-9.0 HB2 SER 102 - H TYR 4 far 0 48 0 - 8.0-13.2 HB3 SER 9 - H GLU 63 far 0 98 0 - 8.1-10.7 HA GLU 35 - H GLU 63 far 0 82 0 - 8.3-10.0 Violated in 0 structures by 0.00 A. Peak 7020 from nnoeabs.peaks (2.20, 8.38, 119.08 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 63 + H GLU 63 OK 100 100 100 100 3.2-3.6 2772=100, 1.8/7021=63...(16) HG2 MET 1 - H TYR 4 far 0 58 0 - 6.9-10.6 HG2 GLU 99 - H TYR 4 far 0 45 0 - 8.6-13.2 HG3 GLU 35 - H GLU 63 far 0 100 0 - 8.7-12.5 Violated in 16 structures by 0.02 A. Peak 7021 from nnoeabs.peaks (1.78, 8.38, 119.08 ppm; 3.89 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 63 + H GLU 63 OK 100 100 100 100 2.7-3.3 4.0=88, 1.8/2772=84...(19) HB2 LYS 66 - H GLU 63 far 15 98 15 - 4.4-7.1 HB2 GLU 28 - H TYR 4 far 0 31 0 - 5.5-6.8 HB VAL 78 - H TYR 4 far 0 58 0 - 6.8-8.1 HB3 LYS 82 - H GLU 63 far 0 97 0 - 7.8-9.2 HB ILE 56 - H GLU 63 far 0 96 0 - 9.0-10.5 HB ILE 93 - H TYR 4 far 0 44 0 - 9.5-11.1 HB ILE 56 - H TYR 4 far 0 53 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 7022 from nnoeabs.peaks (2.29, 8.38, 119.08 ppm; 3.55 A): 4 out of 8 assignments used, quality = 1.00: * HG2 GLU 63 + H GLU 63 OK 99 100 100 99 1.5-1.8 1.8/7023=74, 3.0/2772=55...(19) HG2 GLU 62 + H GLU 63 OK 67 73 100 92 1.9-2.8 2.9/7015=52, 2.9/7016=31...(15) HG3 GLU 62 + H GLU 63 OK 64 73 100 87 2.3-3.8 2.9/7015=52, 2.9/7016=31...(10) HB2 TYR 4 + H TYR 4 OK 56 58 100 97 2.5-2.8 3.8=83, 6048/4.6=28...(11) HG2 GLU 48 - H TYR 4 far 0 29 0 - 8.5-12.1 HB2 GLU 48 - H TYR 4 far 0 58 0 - 9.2-12.2 HB2 TYR 41 - H TYR 4 far 0 49 0 - 9.6-11.7 HG2 GLU 23 - H TYR 4 far 0 44 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 7023 from nnoeabs.peaks (2.52, 8.38, 119.08 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + H GLU 63 OK 100 100 100 100 2.2-3.3 2793=91, 3.0/2772=54...(16) HB2 ASP 61 - H GLU 63 far 0 100 0 - 5.4-6.4 Violated in 0 structures by 0.00 A. Peak 7024 from nnoeabs.peaks (7.72, 8.38, 119.08 ppm; 3.36 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 64 + H GLU 63 OK 97 100 100 97 2.5-2.9 7029=51, 7031/2772=33...(26) H ASN 60 + H GLU 63 OK 93 98 100 96 3.8-4.3 9413/2772=39...(19) H VAL 78 - H TYR 4 far 0 30 0 - 8.4-9.1 HD22 ASN 51 - H TYR 4 far 0 36 0 - 9.1-12.0 H SER 49 - H TYR 4 far 0 57 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 7025 from nnoeabs.peaks (7.92, 8.38, 119.08 ppm; 5.50 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + H GLU 63 OK 100 100 100 100 4.0-4.6 7044/3.6=88, 7047/4.6=81...(20) H GLU 69 - H GLU 63 far 0 94 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 7026 from nnoeabs.peaks (7.72, 7.72, 120.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 64 + H LEU 64 OK 100 100 - 100 H GLU 37 + H GLU 37 OK 32 32 - 100 Peak 7027 from nnoeabs.peaks (8.40, 7.72, 120.36 ppm; 3.46 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 62 + H LEU 64 OK 97 100 100 97 3.7-4.3 3.6/9470=40, 3.0/7028=33...(23) H GLU 63 + H LEU 64 OK 88 91 100 97 2.5-2.9 7024=44, 4.0/7032=33...(26) H THR 80 - H LEU 64 far 0 99 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 7028 from nnoeabs.peaks (4.12, 7.72, 120.36 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 62 + H LEU 64 OK 100 100 100 100 4.1-4.8 10742=96, 7044/7047=79...(12) HB2 SER 59 - H LEU 64 far 0 63 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 7029 from nnoeabs.peaks (8.38, 7.72, 120.36 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + H LEU 64 OK 97 100 100 97 2.5-2.9 7024=51, 2772/7031=34...(26) H GLU 62 + H LEU 64 OK 87 91 100 96 3.7-4.3 3.6/9470=39, 3.0/7028=31...(23) H THR 80 - H LEU 64 far 0 73 0 - 8.6-9.8 Violated in 0 structures by 0.00 A. Peak 7030 from nnoeabs.peaks (3.91, 7.72, 120.36 ppm; 4.42 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 63 + H LEU 64 OK 100 100 100 100 3.5-3.6 3.6=100 HA GLU 35 + H GLU 37 OK 28 30 100 93 4.1-4.9 3.6/6565=61...(13) HB3 SER 9 - H LEU 64 far 0 98 0 - 7.9-10.8 HA TYR 41 - H GLU 37 far 0 39 0 - 7.9-8.9 HA GLU 35 - H LEU 64 far 0 82 0 - 8.8-10.3 HA GLU 63 - H GLU 37 far 0 43 0 - 9.0-10.8 HA LEU 38 - H LEU 64 far 0 57 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 7031 from nnoeabs.peaks (2.20, 7.72, 120.36 ppm; 3.84 A): 1 out of 6 assignments used, quality = 0.98: * HB2 GLU 63 + H LEU 64 OK 98 100 100 98 3.4-4.3 1.8/7032=66, 4.6=57...(13) HG2 GLU 35 - H GLU 37 poor 18 43 75 56 4.7-6.1 6561/6565=23...(6) HG3 GLU 35 - H GLU 37 poor 17 43 40 - 4.9-6.6 HG2 GLU 43 - H GLU 37 far 0 41 0 - 8.5-10.5 HB2 GLU 63 - H GLU 37 far 0 43 0 - 9.0-10.8 HG3 GLU 35 - H LEU 64 far 0 100 0 - 9.1-12.9 Violated in 9 structures by 0.05 A. Peak 7032 from nnoeabs.peaks (1.78, 7.72, 120.36 ppm; 4.15 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 63 + H LEU 64 OK 100 100 100 100 2.4-4.3 4.6=72, 1.8/7031=71...(22) HB2 LYS 39 - H GLU 37 poor 16 35 45 - 5.0-7.1 HB2 LYS 66 - H LEU 64 far 15 98 15 - 4.8-7.0 HB3 LYS 82 - H LEU 64 far 0 97 0 - 5.9-7.3 HB ILE 56 - H LEU 64 far 0 96 0 - 6.8-8.1 HB2 LYS 66 - H GLU 37 far 0 40 0 - 7.2-9.8 HB2 LEU 42 - H GLU 37 far 0 28 0 - 9.0-10.2 HB3 GLU 63 - H GLU 37 far 0 43 0 - 9.5-12.5 Violated in 1 structures by 0.01 A. Peak 7033 from nnoeabs.peaks (2.29, 7.72, 120.36 ppm; 4.67 A): 4 out of 7 assignments used, quality = 1.00: * HG2 GLU 63 + H LEU 64 OK 100 100 100 100 2.6-4.0 3.0/7032=74, 3.0/7031=67...(17) HG2 GLU 62 + H LEU 64 OK 66 73 100 91 4.6-5.2 4.0/7028=52, 4.9/7027=29...(12) HG3 GLU 62 + H LEU 64 OK 62 73 100 84 5.1-5.8 4.0/7028=52, 4.9/7027=29...(7) HG2 GLU 37 + H GLU 37 OK 21 21 100 100 2.2-3.6 5.0=84, 1.8/1608=77...(13) HB2 TYR 41 - H GLU 37 far 0 36 0 - 6.5-8.0 HG3 GLU 43 - H GLU 37 far 0 30 0 - 8.9-10.4 HD3 ARG 81 - H LEU 64 far 0 98 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 7034 from nnoeabs.peaks (2.52, 7.72, 120.36 ppm; 4.63 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 63 + H LEU 64 OK 100 100 100 100 2.7-4.9 3.0/7032=73, 2767/3.6=70...(13) HB2 ASP 61 + H LEU 64 OK 88 100 90 98 5.3-6.2 3.0/9470=77...(13) HB3 ASP 36 + H GLU 37 OK 41 41 100 100 2.4-4.1 4.0=100 HB2 ASP 36 + H GLU 37 OK 41 41 100 100 2.3-4.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 7035 from nnoeabs.peaks (3.75, 7.72, 120.36 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7036 from nnoeabs.peaks (2.11, 7.72, 120.36 ppm; 3.30 A): 3 out of 11 assignments used, quality = 1.00: * HB2 LEU 64 + H LEU 64 OK 99 100 100 99 2.0-2.3 3.9=59, 7049/7047=49...(26) HG3 GLU 37 + H GLU 37 OK 42 42 100 99 1.6-3.0 1608=48, 1609/3.0=47...(17) HB3 GLU 37 + H GLU 37 OK 38 39 100 98 2.2-3.6 1594=55, 1.8/1587=44...(16) HB3 GLU 35 - H GLU 37 far 0 25 0 - 5.1-6.3 HB3 GLU 62 - H LEU 64 far 0 87 0 - 5.1-6.2 HG2 GLU 69 - H LEU 64 far 0 97 0 - 8.0-10.9 HB3 GLU 69 - H LEU 64 far 0 97 0 - 8.6-11.4 HB2 GLU 69 - H LEU 64 far 0 97 0 - 8.7-10.1 HB3 GLU 35 - H LEU 64 far 0 73 0 - 8.8-12.0 HG2 GLU 104 - H LEU 64 far 0 68 0 - 9.4-21.3 HG2 GLU 44 - H GLU 37 far 0 34 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 7037 from nnoeabs.peaks (1.49, 7.72, 120.36 ppm; 3.10 A): 2 out of 15 assignments used, quality = 1.00: * HB3 LEU 64 + H LEU 64 OK 98 100 100 98 2.7-3.3 3.9=49, 1.8/7036=35...(26) HG LEU 64 + H LEU 64 OK 96 99 100 97 3.8-4.3 2827/3.0=38, 2.1/2842=34...(18) HD2 LYS 82 - H LEU 64 poor 19 75 25 - 3.8-6.9 HB2 LEU 38 - H GLU 37 poor 11 23 50 - 4.2-6.3 HG LEU 38 - H GLU 37 poor 9 26 35 - 3.8-7.2 HG2 LYS 66 - H LEU 64 far 5 100 5 - 4.4-7.3 HG3 LYS 33 - H GLU 37 far 0 39 0 - 5.1-6.3 HD3 LYS 40 - H GLU 37 far 0 31 0 - 5.7-8.4 HG3 LYS 66 - H LEU 64 far 0 100 0 - 5.8-7.8 HD2 LYS 40 - H GLU 37 far 0 30 0 - 6.4-8.1 HG LEU 38 - H LEU 64 far 0 75 0 - 6.8-10.2 HG3 LYS 66 - H GLU 37 far 0 42 0 - 6.8-10.2 HG2 LYS 66 - H GLU 37 far 0 43 0 - 6.9-11.4 HB2 LEU 38 - H LEU 64 far 0 68 0 - 8.9-10.8 HG LEU 6 - H GLU 37 far 0 23 0 - 9.3-11.6 Violated in 3 structures by 0.00 A. Peak 7038 from nnoeabs.peaks (1.48, 7.72, 120.36 ppm; 3.10 A): 2 out of 14 assignments used, quality = 1.00: HB3 LEU 64 + H LEU 64 OK 97 99 100 98 2.7-3.3 3.9=49, 1.8/7036=35...(28) * HG LEU 64 + H LEU 64 OK 97 100 100 97 3.8-4.3 2827/3.0=39, 2.1/2842=34...(18) HD2 LYS 82 - H LEU 64 poor 16 91 25 70 3.8-6.9 9766/9470=19...(16) HB2 LEU 38 - H GLU 37 poor 16 31 50 - 4.2-6.3 HG LEU 38 - H GLU 37 poor 12 34 35 - 3.8-7.2 HG2 LYS 66 - H LEU 64 far 5 99 5 - 4.4-7.3 HG3 LYS 33 - H GLU 37 far 0 32 0 - 5.1-6.3 HD3 LYS 40 - H GLU 37 far 0 38 0 - 5.7-8.4 HG3 LYS 66 - H LEU 64 far 0 98 0 - 5.8-7.8 HD2 LYS 40 - H GLU 37 far 0 38 0 - 6.4-8.1 HG LEU 38 - H LEU 64 far 0 91 0 - 6.8-10.2 HG3 LYS 66 - H GLU 37 far 0 39 0 - 6.8-10.2 HG2 LYS 66 - H GLU 37 far 0 40 0 - 6.9-11.4 HB2 LEU 38 - H LEU 64 far 0 85 0 - 8.9-10.8 Violated in 3 structures by 0.00 A. Peak 7039 from nnoeabs.peaks (0.86, 7.72, 120.36 ppm; 4.12 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 64 + H LEU 64 OK 100 100 100 100 3.0-4.1 4.5=75, 2.1/2842=66...(24) QD1 LEU 38 + H GLU 37 OK 23 43 70 77 4.9-6.1 1658/6579=43...(11) QG2 VAL 32 - H GLU 37 far 1 26 5 - 5.5-6.5 QD1 LEU 38 - H LEU 64 far 0 100 0 - 6.2-9.0 HG13 ILE 8 - H LEU 64 far 0 85 0 - 6.6-7.8 HG13 ILE 8 - H GLU 37 far 0 31 0 - 7.5-10.6 QG2 VAL 32 - H LEU 64 far 0 75 0 - 7.6-8.9 QD1 LEU 57 - H LEU 64 far 0 68 0 - 8.1-8.7 HG13 ILE 7 - H LEU 64 far 0 75 0 - 9.7-11.4 QD1 LEU 103 - H LEU 64 far 0 100 0 - 9.8-21.4 QD2 LEU 103 - H LEU 64 far 0 65 0 - 9.9-22.1 Violated in 0 structures by 0.00 A. Peak 7040 from nnoeabs.peaks (0.74, 7.72, 120.36 ppm; 3.84 A): 3 out of 14 assignments used, quality = 1.00: * QD1 LEU 64 + H LEU 64 OK 100 100 100 100 4.2-4.5 2843/3.0=68, 2842=67...(28) QG1 VAL 58 + H LEU 64 OK 90 91 100 99 2.7-3.3 9385/3.0=53, 2.1/9392=41...(25) QD1 ILE 8 + H LEU 64 OK 47 73 100 64 4.3-5.2 8308/4.6=18, 2806/3.0=9...(13) QD1 ILE 8 - H GLU 37 far 0 25 0 - 6.6-8.0 QD1 LEU 6 - H GLU 37 far 0 28 0 - 6.8-9.1 QD1 ILE 56 - H LEU 64 far 0 70 0 - 6.8-9.1 QD2 LEU 42 - H GLU 37 far 0 31 0 - 7.4-9.0 QD1 ILE 56 - H GLU 37 far 0 24 0 - 7.4-11.6 HG13 ILE 56 - H LEU 64 far 0 82 0 - 8.1-10.0 QD2 LEU 14 - H LEU 64 far 0 71 0 - 8.9-10.0 QG2 VAL 78 - H LEU 64 far 0 92 0 - 9.0-9.6 QD1 LEU 6 - H LEU 64 far 0 79 0 - 9.1-11.5 QG1 VAL 58 - H GLU 37 far 0 34 0 - 9.1-10.1 QD2 LEU 42 - H LEU 64 far 0 85 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 7041 from nnoeabs.peaks (7.92, 7.72, 120.36 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + H LEU 64 OK 100 100 100 100 2.5-2.9 7047=100, 7049/3.9=45...(24) H GLU 69 - H LEU 64 far 0 94 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 7042 from nnoeabs.peaks (7.80, 7.72, 120.36 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 66 + H LEU 64 OK 100 100 100 100 3.8-4.2 7062=100, 7057/7047=78...(16) H TYR 41 - H GLU 37 poor 10 34 30 - 5.5-6.4 H SER 9 - H LEU 64 far 0 99 0 - 9.1-9.7 HE ARG 30 - H GLU 37 far 0 39 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 7043 from nnoeabs.peaks (7.92, 7.92, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 65 + H ASP 65 OK 100 100 - 100 Peak 7044 from nnoeabs.peaks (4.12, 7.92, 118.10 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.99: * HA GLU 62 + H ASP 65 OK 99 100 100 99 3.4-3.9 2731=60, 7060/7057=59...(10) HB2 SER 59 - H ASP 65 far 0 63 0 - 9.7-10.9 Violated in 4 structures by 0.02 A. Peak 7045 from nnoeabs.peaks (8.38, 7.92, 118.10 ppm; 4.45 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + H ASP 65 OK 100 100 100 100 4.0-4.6 3.6/7044=66, 4.6/7047=58...(20) H GLU 62 + H ASP 65 OK 91 91 100 100 4.6-4.9 3.0/7044=75, 10735=51...(17) H THR 80 - H ASP 65 far 0 73 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 7046 from nnoeabs.peaks (3.91, 7.92, 118.10 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 63 + H ASP 65 OK 100 100 100 100 4.1-4.8 3.6/7047=86...(16) HA GLU 35 - H ASP 65 far 0 82 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 7047 from nnoeabs.peaks (7.72, 7.92, 118.10 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + H ASP 65 OK 100 100 100 100 2.5-2.9 7041=80, 3.9/7049=39...(24) H ASN 60 - H ASP 65 far 0 98 0 - 6.4-6.7 Violated in 0 structures by 0.00 A. Peak 7048 from nnoeabs.peaks (3.75, 7.92, 118.10 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H ASP 65 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7049 from nnoeabs.peaks (2.11, 7.92, 118.10 ppm; 3.15 A): 1 out of 8 assignments used, quality = 0.99: * HB2 LEU 64 + H ASP 65 OK 99 100 100 99 2.5-3.2 2817=60, 1.8/2825=44...(29) HB3 GLU 62 - H ASP 65 far 0 87 0 - 5.2-6.0 HG2 GLU 69 - H ASP 65 far 0 97 0 - 5.6-8.9 HB2 GLU 69 - H ASP 65 far 0 97 0 - 6.3-8.2 HB3 GLU 69 - H ASP 65 far 0 97 0 - 6.6-9.3 HG2 GLU 104 - H ASP 65 far 0 68 0 - 8.1-21.1 HB3 GLU 35 - H ASP 65 far 0 73 0 - 8.6-11.2 HG3 GLU 104 - H ASP 65 far 0 96 0 - 9.5-21.7 Violated in 1 structures by 0.00 A. Peak 7050 from nnoeabs.peaks (1.49, 7.92, 118.10 ppm; 3.24 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 64 + H ASP 65 OK 99 100 100 99 3.9-4.2 1.8/7049=73, 2825=50...(29) HG LEU 64 + H ASP 65 OK 98 99 100 99 2.7-3.2 3.0/7049=52, 2.1/7052=50...(26) HG2 LYS 66 - H ASP 65 poor 19 100 25 75 3.8-7.1 4.8/7057=27, 3.0/9492=16...(15) HD2 LYS 82 - H ASP 65 far 0 75 0 - 4.7-8.1 HG3 LYS 66 - H ASP 65 far 0 100 0 - 5.5-7.2 HG LEU 38 - H ASP 65 far 0 75 0 - 7.1-11.0 HB2 LEU 38 - H ASP 65 far 0 68 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 7051 from nnoeabs.peaks (1.48, 7.92, 118.10 ppm; 3.24 A): 2 out of 7 assignments used, quality = 1.00: * HG LEU 64 + H ASP 65 OK 99 100 100 99 2.7-3.2 3.0/7049=52, 2.1/7052=50...(27) HB3 LEU 64 + H ASP 65 OK 98 99 100 99 3.9-4.2 1.8/7049=73, 2825=49...(29) HG2 LYS 66 - H ASP 65 poor 19 99 25 75 3.8-7.1 4.8/7057=27, 3.0/9492=16...(15) HD2 LYS 82 - H ASP 65 far 0 91 0 - 4.7-8.1 HG3 LYS 66 - H ASP 65 far 0 98 0 - 5.5-7.2 HG LEU 38 - H ASP 65 far 0 91 0 - 7.1-11.0 HB2 LEU 38 - H ASP 65 far 0 85 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 7052 from nnoeabs.peaks (0.86, 7.92, 118.10 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * QD2 LEU 64 + H ASP 65 OK 100 100 100 100 2.4-3.8 2841=87, 3.1/7049=68...(24) QD1 LEU 38 - H ASP 65 far 0 100 0 - 7.1-8.7 HG13 ILE 8 - H ASP 65 far 0 85 0 - 8.4-9.5 QD1 LEU 103 - H ASP 65 far 0 100 0 - 8.5-21.4 QG2 VAL 32 - H ASP 65 far 0 75 0 - 8.7-10.1 QD2 LEU 103 - H ASP 65 far 0 65 0 - 9.0-22.1 QD1 LEU 57 - H ASP 65 far 0 68 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 7053 from nnoeabs.peaks (0.74, 7.92, 118.10 ppm; 4.12 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 64 + H ASP 65 OK 100 100 100 100 4.1-4.4 2.1/7052=78, 3.1/7049=75...(36) QG1 VAL 58 + H ASP 65 OK 89 91 100 98 4.4-4.9 9385/3.6=52, 2.1/9393=39...(22) QD1 ILE 8 - H ASP 65 far 11 73 15 - 5.4-6.8 QD1 ILE 56 - H ASP 65 far 0 70 0 - 7.5-9.6 HG13 ILE 56 - H ASP 65 far 0 82 0 - 8.2-10.8 QG2 VAL 78 - H ASP 65 far 0 92 0 - 8.4-9.0 QD2 LEU 42 - H ASP 65 far 0 85 0 - 9.3-10.6 QD1 LEU 6 - H ASP 65 far 0 79 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 7054 from nnoeabs.peaks (4.31, 7.92, 118.10 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 65 + H ASP 65 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7055 from nnoeabs.peaks (2.71, 7.92, 118.10 ppm; 2.96 A): 1 out of 3 assignments used, quality = 0.96: * HB2 ASP 65 + H ASP 65 OK 96 100 100 96 2.1-2.9 2859=62, 1.8/7056=61...(19) HE2 LYS 82 - H ASP 65 far 0 87 0 - 4.6-8.6 HB3 ASP 61 - H ASP 65 far 0 94 0 - 4.9-6.4 Violated in 0 structures by 0.00 A. Peak 7056 from nnoeabs.peaks (2.64, 7.92, 118.10 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.99: * HB3 ASP 65 + H ASP 65 OK 99 100 100 99 2.3-3.2 2865=85, 1.8/7055=75...(18) Violated in 1 structures by 0.00 A. Peak 7057 from nnoeabs.peaks (7.80, 7.92, 118.10 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 66 + H ASP 65 OK 100 100 100 100 2.4-2.8 7064=77, 7066/7055=49...(19) Violated in 0 structures by 0.00 A. Peak 7058 from nnoeabs.peaks (8.48, 7.92, 118.10 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + H ASP 65 OK 100 100 100 100 4.3-4.6 7077/7057=83...(23) Violated in 14 structures by 0.06 A. Peak 7059 from nnoeabs.peaks (7.80, 7.80, 119.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 66 + H LYS 66 OK 100 100 - 100 Peak 7060 from nnoeabs.peaks (4.12, 7.80, 119.34 ppm; 3.45 A): 1 out of 1 assignment used, quality = 0.88: * HA GLU 62 + H LYS 66 OK 88 100 100 88 3.7-4.6 7044/7057=45...(8) Violated in 20 structures by 0.49 A. Peak 7061 from nnoeabs.peaks (3.91, 7.80, 119.34 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 63 + H LYS 66 OK 100 100 100 100 3.1-3.8 2769=84, 10240/3.0=51...(20) HA GLU 35 - H LYS 66 far 0 82 0 - 6.4-7.9 HA LEU 38 - H LYS 66 far 0 57 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 7062 from nnoeabs.peaks (7.72, 7.80, 119.34 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + H LYS 66 OK 100 100 100 100 3.8-4.2 7042=79, 7047/7057=70...(16) H ASN 60 - H LYS 66 far 0 98 0 - 7.6-7.9 Violated in 8 structures by 0.02 A. Peak 7063 from nnoeabs.peaks (3.75, 7.80, 119.34 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H LYS 66 OK 100 100 100 100 4.1-4.8 3.6/7057=89, 3.0/7062=85...(11) Violated in 0 structures by 0.00 A. Peak 7064 from nnoeabs.peaks (7.92, 7.80, 119.34 ppm; 3.17 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 65 + H LYS 66 OK 100 100 100 100 2.4-2.8 7057=94, 7055/7066=47...(19) H GLU 69 + H LYS 66 OK 29 94 35 89 4.4-5.1 7119/3.0=37...(16) H GLN 72 - H LYS 66 far 0 98 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 7065 from nnoeabs.peaks (4.31, 7.80, 119.34 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 65 + H LYS 66 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7066 from nnoeabs.peaks (2.71, 7.80, 119.34 ppm; 3.37 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ASP 65 + H LYS 66 OK 99 100 100 99 2.5-3.7 2863=68, 1.8/7067=68...(15) HE2 LYS 82 - H LYS 66 far 0 87 0 - 7.0-11.1 HB3 ASP 61 - H LYS 66 far 0 94 0 - 7.1-8.4 Violated in 15 structures by 0.11 A. Peak 7067 from nnoeabs.peaks (2.64, 7.80, 119.34 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 65 + H LYS 66 OK 100 100 100 100 2.6-3.7 2869=86, 1.8/7066=75...(18) Violated in 3 structures by 0.03 A. Peak 7068 from nnoeabs.peaks (4.08, 7.80, 119.34 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + H LYS 66 OK 100 100 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 7069 from nnoeabs.peaks (1.77, 7.80, 119.34 ppm; 3.15 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 66 + H LYS 66 OK 100 100 100 100 2.1-3.6 2885=75, 1.8/7070=74...(23) HB3 GLU 63 - H LYS 66 far 0 98 0 - 5.1-5.6 HB ILE 56 - H LYS 66 far 0 100 0 - 7.8-8.8 HB3 LYS 82 - H LYS 66 far 0 100 0 - 9.1-10.7 HB2 LYS 39 - H LYS 66 far 0 73 0 - 9.6-13.0 Violated in 17 structures by 0.33 A. Peak 7070 from nnoeabs.peaks (1.86, 7.80, 119.34 ppm; 2.99 A): 1 out of 4 assignments used, quality = 0.99: * HB3 LYS 66 + H LYS 66 OK 99 100 100 99 2.2-3.0 2897=71, 1.8/7069=63...(22) HB3 LYS 68 - H LYS 66 poor 20 99 20 - 4.4-4.7 HB2 LYS 68 - H LYS 66 far 0 88 0 - 5.5-6.4 HB ILE 8 - H LYS 66 far 0 70 0 - 7.2-8.3 Violated in 1 structures by 0.00 A. Peak 7071 from nnoeabs.peaks (1.49, 7.80, 119.34 ppm; 3.16 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 66 + H LYS 66 OK 99 100 100 99 1.9-4.5 3.0/7070=52, 3.0/7069=50...(29) HG3 LYS 66 + H LYS 66 OK 99 100 100 99 3.4-4.6 3.0/7070=52, 3.0/7069=50...(26) HG LEU 64 - H LYS 66 far 0 99 0 - 4.7-5.3 HG LEU 38 - H LYS 66 far 0 73 0 - 5.2-9.8 HB3 LEU 64 - H LYS 66 far 0 100 0 - 5.7-6.1 HB2 LEU 38 - H LYS 66 far 0 65 0 - 7.0-8.8 HD2 LYS 82 - H LYS 66 far 0 73 0 - 7.1-10.5 HG12 ILE 56 - H LYS 66 far 0 57 0 - 8.1-10.4 HG2 LYS 73 - H LYS 66 far 0 100 0 - 9.7-11.9 Violated in 3 structures by 0.13 A. Peak 7072 from nnoeabs.peaks (1.49, 7.80, 119.34 ppm; 3.16 A): 2 out of 9 assignments used, quality = 1.00: HG2 LYS 66 + H LYS 66 OK 99 100 100 99 1.9-4.5 3.0/7070=52, 3.0/7069=50...(29) * HG3 LYS 66 + H LYS 66 OK 99 100 100 99 3.4-4.6 3.0/7070=52, 3.0/7069=50...(26) HG LEU 64 - H LYS 66 far 0 98 0 - 4.7-5.3 HG LEU 38 - H LYS 66 far 0 70 0 - 5.2-9.8 HB3 LEU 64 - H LYS 66 far 0 100 0 - 5.7-6.1 HB2 LEU 38 - H LYS 66 far 0 61 0 - 7.0-8.8 HD2 LYS 82 - H LYS 66 far 0 70 0 - 7.1-10.5 HG12 ILE 56 - H LYS 66 far 0 61 0 - 8.1-10.4 HG2 LYS 73 - H LYS 66 far 0 100 0 - 9.7-11.9 Violated in 3 structures by 0.13 A. Peak 7073 from nnoeabs.peaks (1.60, 7.80, 119.34 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 66 + H LYS 66 OK 100 100 100 100 3.6-5.2 1.8/7074=96, 3.6/7070=86...(35) HD3 LYS 82 - H LYS 66 far 0 68 0 - 8.1-9.6 Violated in 12 structures by 0.11 A. Peak 7074 from nnoeabs.peaks (1.70, 7.80, 119.34 ppm; 3.88 A): 1 out of 5 assignments used, quality = 1.00: * HD3 LYS 66 + H LYS 66 OK 100 100 100 100 2.8-4.5 2942/3.0=65, 3.6/7070=63...(31) HG LEU 70 - H LYS 66 far 0 100 0 - 5.7-6.3 HB3 LEU 70 - H LYS 66 far 0 97 0 - 8.4-9.2 HD2 LYS 73 - H LYS 66 far 0 70 0 - 9.6-12.2 HD3 LYS 73 - H LYS 66 far 0 65 0 - 9.9-13.1 Violated in 15 structures by 0.25 A. Peak 7075 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 4.69 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 66 + H LYS 66 OK 100 100 100 100 3.8-6.1 2.9/7074=80, 4.7/7070=64...(32) HE3 LYS 66 + H LYS 66 OK 100 100 100 100 3.0-5.9 2.9/7074=80, 4.7/7070=64...(33) HE3 LYS 68 - H LYS 66 far 5 98 5 - 5.5-8.8 HE2 LYS 68 - H LYS 66 far 5 96 5 - 5.6-9.3 HB2 ASN 60 - H LYS 66 far 0 100 0 - 6.9-7.7 Violated in 9 structures by 0.08 A. Peak 7076 from nnoeabs.peaks (2.90, 7.80, 119.34 ppm; 4.63 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 66 + H LYS 66 OK 100 100 100 100 3.0-5.9 2.9/7074=78, 4.7/7070=63...(33) HE2 LYS 66 + H LYS 66 OK 100 100 100 100 3.8-6.1 2.9/7074=78, 4.7/7070=63...(32) HE3 LYS 68 - H LYS 66 far 5 100 5 - 5.5-8.8 HE2 LYS 68 - H LYS 66 far 5 99 5 - 5.6-9.3 HB2 ASN 60 - H LYS 66 far 0 99 0 - 6.9-7.7 Violated in 11 structures by 0.11 A. Peak 7077 from nnoeabs.peaks (8.48, 7.80, 119.34 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.99: * H ALA 67 + H LYS 66 OK 99 100 100 99 2.9-3.0 7084=78, 2907/7070=37...(26) Violated in 0 structures by 0.00 A. Peak 7078 from nnoeabs.peaks (8.19, 7.80, 119.34 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 68 + H LYS 66 OK 100 100 100 100 3.8-3.9 7101=93, 7103/7077=82...(21) H ASP 36 - H LYS 66 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 7079 from nnoeabs.peaks (8.48, 8.48, 121.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + H ALA 67 OK 100 100 - 100 Peak 7080 from nnoeabs.peaks (3.91, 8.48, 121.56 ppm; 4.63 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 63 + H ALA 67 OK 100 100 100 100 3.2-5.0 10750=95, 7061/7077=77...(20) HA GLU 35 + H ALA 67 OK 51 82 100 62 5.2-6.0 2884/2895=24...(15) HA LEU 38 - H ALA 67 far 0 57 0 - 6.2-8.5 Violated in 0 structures by 0.00 A. Peak 7081 from nnoeabs.peaks (3.75, 8.48, 121.56 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H ALA 67 OK 100 100 100 100 3.7-4.3 2808=90, 2981/2.9=79...(17) Violated in 0 structures by 0.00 A. Peak 7082 from nnoeabs.peaks (7.92, 8.48, 121.56 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 65 + H ALA 67 OK 100 100 100 100 4.3-4.6 7058=84, 7057/7077=77...(23) H GLU 69 + H ALA 67 OK 94 94 100 100 4.1-4.6 7120=76, 7122/7103=71...(22) H GLN 72 - H ALA 67 far 0 98 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 7083 from nnoeabs.peaks (4.31, 8.48, 121.56 ppm; 5.52 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 65 + H ALA 67 OK 100 100 100 100 4.6-4.9 10772=100, 3.6/7077=96...(21) HA ASP 36 - H ALA 67 far 0 87 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 7084 from nnoeabs.peaks (7.80, 8.48, 121.56 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 66 + H ALA 67 OK 100 100 100 100 2.9-3.0 7077=100, 7070/2907=44...(28) H LYS 73 - H ALA 67 far 0 59 0 - 9.4-9.9 Violated in 0 structures by 0.00 A. Peak 7085 from nnoeabs.peaks (4.08, 8.48, 121.56 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + H ALA 67 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7086 from nnoeabs.peaks (1.77, 8.48, 121.56 ppm; 3.65 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 66 + H ALA 67 OK 100 100 100 100 2.9-3.5 2895=86, 1.8/2907=68...(24) HB3 GLU 63 - H ALA 67 poor 16 98 25 65 4.8-6.1 3.0/10750=38...(8) HB ILE 56 - H ALA 67 far 0 100 0 - 5.7-6.7 HB2 LYS 39 - H ALA 67 far 0 73 0 - 7.5-10.8 HB VAL 78 - H ALA 67 far 0 97 0 - 8.5-10.1 HB3 LYS 82 - H ALA 67 far 0 100 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 7087 from nnoeabs.peaks (1.86, 8.48, 121.56 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 66 + H ALA 67 OK 100 100 100 100 2.1-2.6 2907=85, 1.8/2895=68...(21) HB3 LYS 68 + H ALA 67 OK 91 99 100 92 4.2-4.8 4.0/7103=47, 4.6/7120=29...(18) HB2 LYS 68 + H ALA 67 OK 23 88 30 88 4.9-5.8 4.0/7103=47, 4.6/7120=29...(13) HB ILE 8 - H ALA 67 far 0 70 0 - 6.0-7.2 HG LEU 42 - H ALA 67 far 0 68 0 - 7.5-9.3 HB3 LYS 39 - H ALA 67 far 0 100 0 - 8.4-11.3 Violated in 0 structures by 0.00 A. Peak 7088 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.29 A): 5 out of 10 assignments used, quality = 1.00: * HG2 LYS 66 + H ALA 67 OK 100 100 100 100 3.9-4.7 3.0/2895=70, 3.0/2907=70...(20) HG3 LYS 66 + H ALA 67 OK 100 100 100 100 4.0-4.9 3.0/2895=70, 3.0/2907=70...(18) HG LEU 64 + H ALA 67 OK 50 99 55 93 5.2-6.2 2827/7081=49...(15) HG LEU 38 + H ALA 67 OK 49 73 80 83 2.8-6.9 2.1/9519=15, ~9526=14...(23) HB2 LEU 38 + H ALA 67 OK 44 65 85 79 4.6-6.3 ~1635=13, 3.1/9519=13...(22) HB3 LEU 64 - H ALA 67 far 5 100 5 - 5.8-6.4 HG12 ILE 56 - H ALA 67 far 3 57 5 - 5.5-7.9 HD2 LYS 82 - H ALA 67 far 0 73 0 - 8.2-11.6 HG LEU 6 - H ALA 67 far 0 70 0 - 8.6-10.4 HG2 LYS 73 - H ALA 67 far 0 100 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 7089 from nnoeabs.peaks (1.49, 8.48, 121.56 ppm; 4.29 A): 5 out of 10 assignments used, quality = 1.00: HG2 LYS 66 + H ALA 67 OK 100 100 100 100 3.9-4.7 3.0/2895=70, 3.0/2907=70...(20) * HG3 LYS 66 + H ALA 67 OK 100 100 100 100 4.0-4.9 3.0/2895=70, 3.0/2907=70...(18) HG LEU 64 + H ALA 67 OK 50 98 55 93 5.2-6.2 2827/7081=48...(15) HG LEU 38 + H ALA 67 OK 46 70 80 83 2.8-6.9 2.1/9519=15, ~9526=14...(21) HB2 LEU 38 + H ALA 67 OK 41 61 85 78 4.6-6.3 ~1635=13, 3.1/9519=13...(22) HB3 LEU 64 - H ALA 67 far 5 100 5 - 5.8-6.4 HG12 ILE 56 - H ALA 67 far 3 61 5 - 5.5-7.9 HD2 LYS 82 - H ALA 67 far 0 70 0 - 8.2-11.6 HG LEU 6 - H ALA 67 far 0 73 0 - 8.6-10.4 HG2 LYS 73 - H ALA 67 far 0 100 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 7090 from nnoeabs.peaks (1.60, 8.48, 121.56 ppm; 5.83 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 66 + H ALA 67 OK 100 100 100 100 5.9-6.2 3.6/2895=92, 3.6/2907=92...(21) HG3 LYS 73 - H ALA 67 far 0 100 0 - 9.0-11.7 HD3 LYS 82 - H ALA 67 far 0 68 0 - 9.4-11.0 Violated in 20 structures by 0.25 A. Peak 7091 from nnoeabs.peaks (1.70, 8.48, 121.56 ppm; 4.56 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 66 + H ALA 67 OK 100 100 100 100 4.8-5.3 7074/7077=74...(18) HG LEU 70 + H ALA 67 OK 97 100 100 97 4.1-4.9 3152/2.9=31...(27) HB3 LEU 70 - H ALA 67 far 0 97 0 - 6.6-7.2 HD2 LYS 73 - H ALA 67 far 0 70 0 - 9.2-11.7 HD3 LYS 73 - H ALA 67 far 0 65 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 7092 from nnoeabs.peaks (2.90, 8.48, 121.56 ppm; 6.50 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 66 + H ALA 67 OK 100 100 100 100 4.7-6.4 4.7/2895=89, 4.7/2907=89...(23) HE3 LYS 66 + H ALA 67 OK 100 100 100 100 4.6-6.0 4.7/2895=89, 4.7/2907=89...(24) HE3 LYS 68 - H ALA 67 poor 20 98 20 - 6.6-8.8 HE2 LYS 68 - H ALA 67 far 10 96 10 - 6.8-9.0 HB2 ASN 60 - H ALA 67 far 0 100 0 - 8.0-9.5 HE2 LYS 39 - H ALA 67 far 0 87 0 - 9.8-12.9 HE3 LYS 39 - H ALA 67 far 0 94 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 7093 from nnoeabs.peaks (2.90, 8.48, 121.56 ppm; 5.95 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 66 + H ALA 67 OK 100 100 100 100 4.6-6.0 4.7/2895=81, 4.7/2907=81...(24) HE2 LYS 66 + H ALA 67 OK 100 100 100 100 4.7-6.4 4.7/2895=81, 4.7/2907=81...(23) HE3 LYS 68 - H ALA 67 far 15 100 15 - 6.6-8.8 HE2 LYS 68 - H ALA 67 far 5 99 5 - 6.8-9.0 HB2 ASN 60 - H ALA 67 far 0 99 0 - 8.0-9.5 HE2 LYS 39 - H ALA 67 far 0 77 0 - 9.8-12.9 HE3 LYS 39 - H ALA 67 far 0 87 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 7094 from nnoeabs.peaks (3.85, 8.48, 121.56 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 67 + H ALA 67 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 35 - H ALA 67 far 0 71 0 - 5.2-6.0 HA LEU 38 - H ALA 67 far 0 92 0 - 6.2-8.5 HA ALA 71 - H ALA 67 far 0 99 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 7095 from nnoeabs.peaks (1.34, 8.48, 121.56 ppm; 2.99 A): 1 out of 7 assignments used, quality = 1.00: * QB ALA 67 + H ALA 67 OK 100 100 100 100 2.0-2.2 2.9=100 HB2 LEU 70 - H ALA 67 far 0 73 0 - 5.0-6.0 HG3 LYS 68 - H ALA 67 far 0 98 0 - 5.8-7.1 HG12 ILE 8 - H ALA 67 far 0 84 0 - 6.0-7.8 HB2 LYS 82 - H ALA 67 far 0 100 0 - 8.0-9.8 HG2 LYS 39 - H ALA 67 far 0 99 0 - 9.0-10.7 HB3 LEU 42 - H ALA 67 far 0 70 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 7096 from nnoeabs.peaks (8.19, 8.48, 121.56 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 68 + H ALA 67 OK 100 100 100 100 2.5-2.7 7103=100, 2985/2.9=54...(22) H ASP 36 - H ALA 67 far 0 100 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 7097 from nnoeabs.peaks (7.90, 8.48, 121.56 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + H ALA 67 OK 100 100 100 100 4.1-4.6 7120=83, 7122/7103=78...(22) H ASP 65 + H ALA 67 OK 94 94 100 100 4.3-4.6 7058=77, 7057/7077=70...(23) H GLN 72 - H ALA 67 far 0 100 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 7098 from nnoeabs.peaks (8.19, 8.19, 116.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 68 + H LYS 68 OK 100 100 - 100 Peak 7099 from nnoeabs.peaks (3.75, 8.19, 116.17 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.98: * HA LEU 64 + H LYS 68 OK 98 100 100 98 3.8-4.6 2981/2985=53, 10249=45...(11) Violated in 20 structures by 0.47 A. Peak 7100 from nnoeabs.peaks (4.31, 8.19, 116.17 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 65 + H LYS 68 OK 100 100 100 100 3.3-3.5 2855=68, 7118/7122=49...(23) Violated in 0 structures by 0.00 A. Peak 7101 from nnoeabs.peaks (7.80, 8.19, 116.17 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 66 + H LYS 68 OK 100 100 100 100 3.8-3.9 7078=100, 7077/7103=84...(21) H LYS 73 - H LYS 68 far 0 59 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 7102 from nnoeabs.peaks (4.08, 8.19, 116.17 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + H LYS 68 OK 100 100 100 100 4.2-4.5 10774=100, 3.6/7103=87...(16) Violated in 0 structures by 0.00 A. Peak 7103 from nnoeabs.peaks (8.48, 8.19, 116.17 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 67 + H LYS 68 OK 100 100 100 100 2.5-2.7 7096=80, 2.9/2985=47...(21) H ARG 79 - H LYS 68 far 0 93 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 7104 from nnoeabs.peaks (3.85, 8.19, 116.17 ppm; 3.39 A): 1 out of 4 assignments used, quality = 0.99: * HA ALA 67 + H LYS 68 OK 99 100 100 99 3.5-3.5 3.6=86, 2.1/2985=65...(14) HA GLU 35 - H LYS 68 far 0 71 0 - 7.1-7.8 HA ALA 71 - H LYS 68 far 0 99 0 - 7.2-7.8 HA LEU 38 - H LYS 68 far 0 92 0 - 7.8-9.5 Violated in 20 structures by 0.09 A. Peak 7105 from nnoeabs.peaks (1.34, 8.19, 116.17 ppm; 3.06 A): 2 out of 7 assignments used, quality = 1.00: * QB ALA 67 + H LYS 68 OK 99 100 100 99 2.8-2.9 2985=73, 2.1/7104=54...(23) HG3 LYS 68 + H LYS 68 OK 96 98 100 98 3.5-4.5 1.8/3021=43, 3033/2.9=37...(22) HB2 LEU 70 - H LYS 68 far 0 73 0 - 5.0-5.8 HG12 ILE 8 - H LYS 68 far 0 84 0 - 7.3-9.5 HB2 LYS 82 - H LYS 68 far 0 100 0 - 7.7-9.4 HB3 LEU 42 - H LYS 68 far 0 70 0 - 8.9-10.3 HG2 LYS 39 - H LYS 68 far 0 99 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 7106 from nnoeabs.peaks (3.81, 8.19, 116.17 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + H LYS 68 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 7107 from nnoeabs.peaks (1.84, 8.19, 116.17 ppm; 2.92 A): 2 out of 6 assignments used, quality = 0.99: * HB2 LYS 68 + H LYS 68 OK 97 100 100 97 2.6-3.4 2998=47, 1.8/3010=35...(26) HB3 LYS 68 + H LYS 68 OK 70 71 100 97 2.1-2.5 1.8/2998=41, 4.0=38...(29) HB3 LYS 66 - H LYS 68 far 0 88 0 - 4.5-4.7 HB3 LYS 39 - H LYS 68 far 0 87 0 - 8.8-11.4 HB2 LEU 42 - H LYS 68 far 0 75 0 - 9.1-10.5 HB2 GLU 104 - H LYS 68 far 0 79 0 - 9.4-21.0 Violated in 0 structures by 0.00 A. Peak 7108 from nnoeabs.peaks (1.87, 8.19, 116.17 ppm; 2.93 A): 2 out of 7 assignments used, quality = 0.99: * HB3 LYS 68 + H LYS 68 OK 98 100 100 98 2.1-2.5 1.8/2998=41, 3010=40...(31) HB2 LYS 68 + H LYS 68 OK 69 71 100 96 2.6-3.4 4.0=38, 1.8/3010=35...(25) HB3 LYS 66 - H LYS 68 far 0 99 0 - 4.5-4.7 HB ILE 8 - H LYS 68 far 0 87 0 - 7.6-8.8 HG LEU 42 - H LYS 68 far 0 85 0 - 8.0-9.3 HB3 LYS 39 - H LYS 68 far 0 99 0 - 8.8-11.4 HB VAL 54 - H LYS 68 far 0 97 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 7109 from nnoeabs.peaks (1.64, 8.19, 116.17 ppm; 3.20 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 68 + H LYS 68 OK 99 100 100 99 3.4-4.6 3021=52, 2.9/2998=38...(26) HD3 LYS 68 + H LYS 68 OK 68 99 70 97 4.4-5.6 3.0/3021=38, 3.5/2998=32...(28) HD2 LYS 68 - H LYS 68 far 10 99 10 - 4.5-5.8 HB3 LEU 6 - H LYS 68 far 0 100 0 - 8.5-9.8 HD3 LYS 73 - H LYS 68 far 0 88 0 - 8.8-11.4 HD2 LYS 39 - H LYS 68 far 0 98 0 - 8.9-11.9 HD2 LYS 73 - H LYS 68 far 0 85 0 - 8.9-10.9 HB3 ARG 79 - H LYS 68 far 0 98 0 - 9.2-11.0 HD3 LYS 39 - H LYS 68 far 0 100 0 - 9.8-11.7 HB ILE 76 - H LYS 68 far 0 100 0 - 9.8-10.7 Violated in 20 structures by 0.50 A. Peak 7110 from nnoeabs.peaks (1.35, 8.19, 116.17 ppm; 3.04 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 68 + H LYS 68 OK 98 100 100 98 3.5-4.5 1.8/3021=42, 3033/2.9=38...(22) QB ALA 67 + H LYS 68 OK 97 98 100 99 2.8-2.9 2985=69, 2.1/7104=53...(23) HB2 LEU 70 - H LYS 68 far 0 92 0 - 5.0-5.8 HG12 ILE 8 - H LYS 68 far 0 97 0 - 7.3-9.5 HB2 LYS 82 - H LYS 68 far 0 100 0 - 7.7-9.4 HG2 LYS 39 - H LYS 68 far 0 100 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 7111 from nnoeabs.peaks (1.65, 8.19, 116.17 ppm; 3.20 A): 2 out of 10 assignments used, quality = 0.99: HG2 LYS 68 + H LYS 68 OK 98 99 100 99 3.4-4.6 3021=51, 2.9/2998=38...(26) HD3 LYS 68 + H LYS 68 OK 68 100 70 97 4.4-5.6 3.0/3021=38, 3.5/2998=32...(28) ! HD2 LYS 68 - H LYS 68 far 10 100 10 - 4.5-5.8 HB3 LEU 6 - H LYS 68 far 0 100 0 - 8.5-9.8 HD3 LYS 73 - H LYS 68 far 0 98 0 - 8.8-11.4 HD2 LYS 39 - H LYS 68 far 0 100 0 - 8.9-11.9 HD2 LYS 73 - H LYS 68 far 0 96 0 - 8.9-10.9 HB3 ARG 79 - H LYS 68 far 0 100 0 - 9.2-11.0 HD3 LYS 39 - H LYS 68 far 0 99 0 - 9.8-11.7 HB ILE 76 - H LYS 68 far 0 99 0 - 9.8-10.7 Violated in 20 structures by 0.50 A. Peak 7112 from nnoeabs.peaks (1.65, 8.19, 116.17 ppm; 3.20 A): 2 out of 10 assignments used, quality = 0.99: HG2 LYS 68 + H LYS 68 OK 98 99 100 99 3.4-4.6 3021=51, 2.9/2998=38...(26) * HD3 LYS 68 + H LYS 68 OK 68 100 70 97 4.4-5.6 3.0/3021=38, 3.5/2998=32...(28) HD2 LYS 68 - H LYS 68 far 10 100 10 - 4.5-5.8 HB3 LEU 6 - H LYS 68 far 0 100 0 - 8.5-9.8 HD3 LYS 73 - H LYS 68 far 0 97 0 - 8.8-11.4 HD2 LYS 39 - H LYS 68 far 0 100 0 - 8.9-11.9 HD2 LYS 73 - H LYS 68 far 0 96 0 - 8.9-10.9 HB3 ARG 79 - H LYS 68 far 0 100 0 - 9.2-11.0 HD3 LYS 39 - H LYS 68 far 0 99 0 - 9.8-11.7 HB ILE 76 - H LYS 68 far 0 100 0 - 9.8-10.7 Violated in 20 structures by 0.50 A. Peak 7113 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.31 A): 3 out of 7 assignments used, quality = 1.00: * HE2 LYS 68 + H LYS 68 OK 100 100 100 100 4.9-6.7 3.6/3021=82, 5.0/2998=56...(23) HE3 LYS 68 + H LYS 68 OK 100 100 100 100 4.7-6.5 3.6/3021=82, 5.0/2998=56...(23) HE3 LYS 66 + H LYS 68 OK 43 99 50 87 5.7-7.6 6.1/10774=44...(13) HE2 LYS 66 - H LYS 68 far 10 96 10 - 6.2-8.2 HE3 LYS 73 - H LYS 68 far 0 65 0 - 9.1-11.2 HB2 ASN 60 - H LYS 68 far 0 94 0 - 9.6-10.7 HE2 LYS 39 - H LYS 68 far 0 59 0 - 9.7-13.7 Violated in 4 structures by 0.01 A. Peak 7114 from nnoeabs.peaks (2.91, 8.19, 116.17 ppm; 5.31 A): 3 out of 7 assignments used, quality = 1.00: * HE3 LYS 68 + H LYS 68 OK 100 100 100 100 4.7-6.5 3.6/3021=82, 5.0/2998=56...(23) HE2 LYS 68 + H LYS 68 OK 100 100 100 100 4.9-6.7 3.6/3021=82, 5.0/2998=56...(23) HE3 LYS 66 + H LYS 68 OK 43 100 50 87 5.7-7.6 6.1/10774=44...(13) HE2 LYS 66 - H LYS 68 far 10 98 10 - 6.2-8.2 HE3 LYS 73 - H LYS 68 far 0 61 0 - 9.1-11.2 HB2 ASN 60 - H LYS 68 far 0 96 0 - 9.6-10.7 HE2 LYS 39 - H LYS 68 far 0 63 0 - 9.7-13.7 Violated in 4 structures by 0.01 A. Peak 7115 from nnoeabs.peaks (7.90, 8.19, 116.17 ppm; 3.08 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + H LYS 68 OK 100 100 100 100 2.5-2.8 7122=97, 7121/7104=31...(25) H ASP 65 + H LYS 68 OK 40 94 45 94 4.5-4.7 3.0/7100=36, 3.6/7099=32...(20) H GLN 72 - H LYS 68 far 0 100 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 7116 from nnoeabs.peaks (7.96, 8.19, 116.17 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LYS 68 OK 100 100 100 100 3.9-4.5 7137/7122=87, 7141=83...(15) Violated in 3 structures by 0.00 A. Peak 7117 from nnoeabs.peaks (7.90, 7.90, 119.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 69 + H GLU 69 OK 100 100 - 100 Peak 7118 from nnoeabs.peaks (4.31, 7.90, 119.49 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.99: * HA ASP 65 + H GLU 69 OK 99 100 100 99 3.5-4.3 7100/7122=70...(20) Violated in 0 structures by 0.00 A. Peak 7119 from nnoeabs.peaks (4.08, 7.90, 119.49 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.98: * HA LYS 66 + H GLU 69 OK 98 100 100 98 3.5-4.1 2881=57, 7139/7137=41...(21) Violated in 11 structures by 0.07 A. Peak 7120 from nnoeabs.peaks (8.48, 7.90, 119.49 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 67 + H GLU 69 OK 100 100 100 100 4.1-4.6 7103/7122=84...(25) H ARG 79 - H GLU 69 far 0 93 0 - 8.9-10.4 Violated in 2 structures by 0.01 A. Peak 7121 from nnoeabs.peaks (3.85, 7.90, 119.49 ppm; 4.02 A): 1 out of 4 assignments used, quality = 0.97: * HA ALA 67 + H GLU 69 OK 97 100 100 97 4.0-4.8 7104/7122=69...(13) HA ALA 71 - H GLU 69 far 0 99 0 - 6.7-7.3 HA GLU 35 - H GLU 69 far 0 71 0 - 7.4-8.3 HA LEU 38 - H GLU 69 far 0 92 0 - 8.9-10.7 Violated in 18 structures by 0.40 A. Peak 7122 from nnoeabs.peaks (8.19, 7.90, 119.49 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 68 + H GLU 69 OK 99 100 100 99 2.5-2.8 7115=71, 7104/7121=32...(25) H HIS 106 - H GLU 69 far 0 73 0 - 9.8-23.7 Violated in 0 structures by 0.00 A. Peak 7123 from nnoeabs.peaks (3.81, 7.90, 119.49 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + H GLU 69 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7124 from nnoeabs.peaks (1.84, 7.90, 119.49 ppm; 3.21 A): 2 out of 6 assignments used, quality = 0.99: * HB2 LYS 68 + H GLU 69 OK 95 100 100 95 3.1-4.1 3008=47, 4.0/7122=36...(23) HB3 LYS 68 + H GLU 69 OK 68 71 100 96 2.6-3.3 1.8/3008=42, 4.0/7122=36...(26) HB3 LYS 66 - H GLU 69 far 0 88 0 - 5.3-5.9 HB3 LYS 39 - H GLU 69 far 0 87 0 - 8.0-11.0 HB2 LEU 42 - H GLU 69 far 0 75 0 - 9.4-10.7 HB2 GLU 104 - H GLU 69 far 0 79 0 - 9.7-21.7 Violated in 0 structures by 0.00 A. Peak 7125 from nnoeabs.peaks (1.87, 7.90, 119.49 ppm; 3.22 A): 2 out of 5 assignments used, quality = 0.99: * HB3 LYS 68 + H GLU 69 OK 97 100 100 97 2.6-3.3 1.8/3008=42, 4.0/7122=37...(29) HB2 LYS 68 + H GLU 69 OK 67 71 100 94 3.1-4.1 4.0/7122=37, 4.6=34...(22) HB3 LYS 66 - H GLU 69 far 0 99 0 - 5.3-5.9 HB3 LYS 39 - H GLU 69 far 0 99 0 - 8.0-11.0 HG LEU 42 - H GLU 69 far 0 85 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 7126 from nnoeabs.peaks (1.64, 7.90, 119.49 ppm; 3.87 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 68 + H GLU 69 OK 99 100 100 99 2.3-5.1 3021/7122=54...(25) HD2 LYS 68 + H GLU 69 OK 96 99 100 97 4.4-5.1 3.5/3008=41, 3.5/7125=36...(25) HD3 LYS 68 + H GLU 69 OK 77 99 80 97 4.5-6.2 3.5/3008=41, 3.5/7125=36...(24) HD3 LYS 73 - H GLU 69 far 0 88 0 - 6.5-9.5 HD2 LYS 73 - H GLU 69 far 0 85 0 - 6.7-8.8 HD2 LYS 39 - H GLU 69 far 0 98 0 - 8.2-11.3 HD3 LYS 39 - H GLU 69 far 0 100 0 - 8.6-11.1 HB ILE 76 - H GLU 69 far 0 100 0 - 9.8-10.7 Violated in 9 structures by 0.10 A. Peak 7127 from nnoeabs.peaks (1.35, 7.90, 119.49 ppm; 3.90 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 68 + H GLU 69 OK 100 100 100 100 3.2-5.3 3033/3.6=54, 2.9/3008=48...(21) QB ALA 67 + H GLU 69 OK 97 98 100 99 4.5-4.9 2.1/7121=67...(24) HB2 LEU 70 + H GLU 69 OK 88 92 100 96 4.6-5.3 3133/7137=58...(19) HG2 LYS 39 - H GLU 69 far 0 100 0 - 8.5-11.6 HB2 LYS 82 - H GLU 69 far 0 100 0 - 9.6-11.6 HG12 ILE 8 - H GLU 69 far 0 97 0 - 9.6-11.8 Violated in 4 structures by 0.02 A. Peak 7128 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.87 A): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 68 + H GLU 69 OK 98 99 100 99 2.3-5.1 3021/7122=53...(25) * HD2 LYS 68 + H GLU 69 OK 97 100 100 97 4.4-5.1 3.5/3008=41, 3.5/7125=36...(25) HD3 LYS 68 + H GLU 69 OK 78 100 80 97 4.5-6.2 3.5/3008=41, 3.5/7125=36...(24) HD3 LYS 73 - H GLU 69 far 0 98 0 - 6.5-9.5 HD2 LYS 73 - H GLU 69 far 0 96 0 - 6.7-8.8 HD2 LYS 39 - H GLU 69 far 0 100 0 - 8.2-11.3 HD3 LYS 39 - H GLU 69 far 0 99 0 - 8.6-11.1 HB ILE 76 - H GLU 69 far 0 99 0 - 9.8-10.7 Violated in 9 structures by 0.10 A. Peak 7129 from nnoeabs.peaks (1.65, 7.90, 119.49 ppm; 3.87 A): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 68 + H GLU 69 OK 98 99 100 99 2.3-5.1 3021/7122=54...(25) HD2 LYS 68 + H GLU 69 OK 97 100 100 97 4.4-5.1 3.5/3008=41, 3.5/7125=36...(25) * HD3 LYS 68 + H GLU 69 OK 78 100 80 97 4.5-6.2 3.5/3008=41, 3.5/7125=36...(24) HD3 LYS 73 - H GLU 69 far 0 97 0 - 6.5-9.5 HD2 LYS 73 - H GLU 69 far 0 96 0 - 6.7-8.8 HD2 LYS 39 - H GLU 69 far 0 100 0 - 8.2-11.3 HD3 LYS 39 - H GLU 69 far 0 99 0 - 8.6-11.1 HB ILE 76 - H GLU 69 far 0 100 0 - 9.8-10.7 Violated in 9 structures by 0.10 A. Peak 7130 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.90 A): 4 out of 7 assignments used, quality = 1.00: HE3 LYS 68 + H GLU 69 OK 100 100 100 100 4.2-6.7 5.0/3008=60, 3.6/3042=51...(17) * HE2 LYS 68 + H GLU 69 OK 100 100 100 100 4.5-7.2 5.0/3008=60, 3.6/3042=51...(16) HE3 LYS 66 + H GLU 69 OK 82 99 85 97 4.7-7.6 6.1/7119=62, 3.6/9537=36...(16) HE2 LYS 66 + H GLU 69 OK 69 96 75 96 5.3-8.1 6.1/7119=62, 3.6/9537=36...(15) HE3 LYS 73 - H GLU 69 poor 20 65 30 - 6.5-9.0 HE2 LYS 39 - H GLU 69 far 0 59 0 - 8.4-13.4 HE3 LYS 39 - H GLU 69 far 0 71 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 7131 from nnoeabs.peaks (2.91, 7.90, 119.49 ppm; 5.90 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 68 + H GLU 69 OK 100 100 100 100 4.2-6.7 5.0/3008=60, 3.6/3042=51...(17) HE2 LYS 68 + H GLU 69 OK 100 100 100 100 4.5-7.2 5.0/3008=60, 3.6/3042=51...(16) HE3 LYS 66 + H GLU 69 OK 82 100 85 97 4.7-7.6 6.1/7119=62, 3.6/9537=36...(16) HE2 LYS 66 + H GLU 69 OK 70 98 75 96 5.3-8.1 6.1/7119=62, 3.6/9537=36...(15) HE3 LYS 73 - H GLU 69 poor 18 61 30 - 6.5-9.0 HE2 LYS 39 - H GLU 69 far 0 63 0 - 8.4-13.4 HE3 LYS 39 - H GLU 69 far 0 75 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 7132 from nnoeabs.peaks (4.00, 7.90, 119.49 ppm; 3.15 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 69 + H GLU 69 OK 100 100 100 100 2.8-2.9 3.0=100 HA LEU 70 - H GLU 69 far 0 85 0 - 5.1-5.5 Violated in 0 structures by 0.00 A. Peak 7133 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.62 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLU 69 + H GLU 69 OK 92 100 100 92 2.3-2.8 3103=34, 3.0/3110=30...(19) HG2 GLU 69 + H GLU 69 OK 89 100 95 94 2.4-4.4 3110=44, 1.8/7136=33...(19) HB3 GLU 69 + H GLU 69 OK 89 100 100 89 2.4-3.6 3095=33, 3.0/3110=30...(15) HB2 GLN 72 - H GLU 69 far 0 63 0 - 6.9-7.3 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.3-8.4 HB3 GLU 62 - H GLU 69 far 0 61 0 - 9.2-10.5 HG2 GLU 104 - H GLU 69 far 0 91 0 - 9.2-22.6 Violated in 0 structures by 0.00 A. Peak 7134 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.62 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLU 69 + H GLU 69 OK 92 100 100 92 2.3-2.8 3103=34, 3.0/3110=30...(19) HG2 GLU 69 + H GLU 69 OK 89 100 95 94 2.4-4.4 3110=44, 1.8/7136=33...(19) * HB3 GLU 69 + H GLU 69 OK 89 100 100 89 2.4-3.6 3095=33, 3.0/3110=30...(15) HB2 GLN 72 - H GLU 69 far 0 63 0 - 6.9-7.3 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.3-8.4 HB3 GLU 62 - H GLU 69 far 0 61 0 - 9.2-10.5 HG2 GLU 104 - H GLU 69 far 0 91 0 - 9.2-22.6 Violated in 0 structures by 0.00 A. Peak 7135 from nnoeabs.peaks (2.13, 7.90, 119.49 ppm; 2.62 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLU 69 + H GLU 69 OK 92 100 100 92 2.3-2.8 3103=34, 3.0/3110=30...(19) * HG2 GLU 69 + H GLU 69 OK 89 100 95 94 2.4-4.4 3110=44, 1.8/7136=33...(19) HB3 GLU 69 + H GLU 69 OK 89 100 100 89 2.4-3.6 3095=33, 3.0/3110=30...(15) HB2 GLN 72 - H GLU 69 far 0 63 0 - 6.9-7.3 HB2 LEU 64 - H GLU 69 far 0 97 0 - 7.3-8.4 HB3 GLU 62 - H GLU 69 far 0 61 0 - 9.2-10.5 HG2 GLU 104 - H GLU 69 far 0 91 0 - 9.2-22.6 Violated in 0 structures by 0.00 A. Peak 7136 from nnoeabs.peaks (2.34, 7.90, 119.49 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 69 + H GLU 69 OK 100 100 100 100 2.2-4.5 3117=97, 1.8/3110=82...(19) Violated in 1 structures by 0.04 A. Peak 7137 from nnoeabs.peaks (7.96, 7.90, 119.49 ppm; 2.95 A): 1 out of 1 assignment used, quality = 0.96: * H LEU 70 + H GLU 69 OK 96 100 100 96 2.4-3.0 7143=52, 3116/3110=25...(18) Violated in 1 structures by 0.00 A. Peak 7138 from nnoeabs.peaks (7.96, 7.96, 119.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LEU 70 OK 100 100 - 100 Peak 7139 from nnoeabs.peaks (4.08, 7.96, 119.43 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.98: * HA LYS 66 + H LEU 70 OK 98 100 100 98 3.7-5.0 7119/7137=83...(13) Violated in 2 structures by 0.01 A. Peak 7140 from nnoeabs.peaks (3.85, 7.96, 119.43 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 67 + H LEU 70 OK 99 100 100 99 3.1-4.1 7121/7137=63, 2978=52...(15) HA ALA 71 + H LEU 70 OK 97 99 100 98 5.1-5.6 3.0/7157=78, 2978=41...(11) HA GLU 35 - H LEU 70 far 0 71 0 - 6.0-7.1 HA LEU 38 - H LEU 70 far 0 92 0 - 7.7-9.1 Violated in 0 structures by 0.00 A. Peak 7141 from nnoeabs.peaks (8.19, 7.96, 119.43 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 68 + H LEU 70 OK 100 100 100 100 3.9-4.5 7116=100, 7122/7137=92...(15) H ASP 36 - H LEU 70 far 0 100 0 - 8.6-9.9 H GLU 43 - H LEU 70 far 0 100 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 7142 from nnoeabs.peaks (3.81, 7.96, 119.43 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.98: * HA LYS 68 + H LEU 70 OK 98 100 100 98 4.0-5.3 3.6/7137=79, 2.9/7116=63...(9) Violated in 16 structures by 0.43 A. Peak 7143 from nnoeabs.peaks (7.90, 7.96, 119.43 ppm; 3.05 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + H LEU 70 OK 100 100 100 100 2.4-3.0 7137=100, 7122/7116=27...(19) H GLN 72 + H LEU 70 OK 75 100 100 75 3.9-4.3 7168/7157=43...(9) H ASP 65 - H LEU 70 far 0 94 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 7144 from nnoeabs.peaks (4.00, 7.96, 119.43 ppm; 3.56 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 69 + H LEU 70 OK 100 100 100 100 3.5-3.6 3.6=100 HA LEU 70 + H LEU 70 OK 85 85 100 100 2.7-2.9 3.0=100 HA GLU 75 - H LEU 70 far 0 100 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 7145 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.34 A): 3 out of 5 assignments used, quality = 1.00: * HB2 GLU 69 + H LEU 70 OK 98 100 100 98 2.2-3.7 3109=50, 4.0/7137=41...(19) HG2 GLU 69 + H LEU 70 OK 97 100 100 97 3.1-4.7 3116=54, 3110/7137=51...(16) HB3 GLU 69 + H LEU 70 OK 97 100 100 97 2.2-4.1 3101=49, 4.0/7137=41...(18) HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.7-7.1 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 7146 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.34 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 69 + H LEU 70 OK 98 100 100 98 2.2-3.7 3109=50, 4.0/7137=41...(19) HG2 GLU 69 + H LEU 70 OK 97 100 100 97 3.1-4.7 3116=54, 3110/7137=51...(16) * HB3 GLU 69 + H LEU 70 OK 97 100 100 97 2.2-4.1 3101=49, 4.0/7137=41...(18) HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.7-7.1 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 7147 from nnoeabs.peaks (2.13, 7.96, 119.43 ppm; 3.34 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 69 + H LEU 70 OK 98 100 100 98 2.2-3.7 3109=50, 4.0/7137=41...(19) * HG2 GLU 69 + H LEU 70 OK 97 100 100 97 3.1-4.7 3116=54, 3110/7137=51...(16) HB3 GLU 69 + H LEU 70 OK 97 100 100 97 2.2-4.1 3101=49, 4.0/7137=41...(18) HB2 GLN 72 - H LEU 70 far 0 63 0 - 6.7-7.1 HB2 LEU 64 - H LEU 70 far 0 97 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 7148 from nnoeabs.peaks (2.34, 7.96, 119.43 ppm; 5.23 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 69 + H LEU 70 OK 100 100 100 100 4.1-4.5 7136/7137=91...(15) HG3 GLU 43 - H LEU 70 far 0 94 0 - 9.1-10.5 HB2 TYR 41 - H LEU 70 far 0 84 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 7149 from nnoeabs.peaks (4.02, 7.96, 119.43 ppm; 3.62 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 69 + H LEU 70 OK 85 85 100 100 3.5-3.6 3.6=100 HA GLU 75 - H LEU 70 far 0 93 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 7150 from nnoeabs.peaks (1.37, 7.96, 119.43 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 70 + H LEU 70 OK 100 100 100 100 2.5-2.9 3133=100, 1.8/3142=80...(22) QB ALA 67 + H LEU 70 OK 42 73 65 88 4.3-5.2 3.6/7116=36, 2.1/2978=29...(16) HG3 LYS 68 - H LEU 70 far 0 92 0 - 5.2-7.6 HG2 LYS 39 - H LEU 70 far 0 87 0 - 5.7-9.0 Violated in 0 structures by 0.00 A. Peak 7151 from nnoeabs.peaks (1.72, 7.96, 119.43 ppm; 3.15 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + H LEU 70 OK 100 100 100 100 3.5-3.6 3142=86, 1.8/3133=59...(18) HG LEU 70 + H LEU 70 OK 93 95 100 98 1.9-2.5 3150=51, 3.0/3142=47...(20) HD3 LYS 66 - H LEU 70 far 0 97 0 - 4.8-7.1 Violated in 0 structures by 0.00 A. Peak 7152 from nnoeabs.peaks (1.70, 7.96, 119.43 ppm; 3.15 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 70 + H LEU 70 OK 98 100 100 98 1.9-2.5 3150=55, 3.0/3142=47...(20) HB3 LEU 70 + H LEU 70 OK 94 95 100 99 3.5-3.6 3142=80, 1.8/3133=59...(18) HD2 LYS 73 - H LEU 70 far 11 75 15 - 4.5-6.6 HD3 LYS 73 - H LEU 70 far 0 71 0 - 4.7-7.2 HD3 LYS 66 - H LEU 70 far 0 100 0 - 4.8-7.1 Violated in 0 structures by 0.00 A. Peak 7153 from nnoeabs.peaks (0.81, 7.96, 119.43 ppm; 3.82 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 70 + H LEU 70 OK 100 100 100 100 2.6-3.9 2.1/3150=69, 3.1/3142=64...(22) QD2 LEU 70 + H LEU 70 OK 99 99 100 100 1.9-3.6 3166=72, 2.1/3150=69...(23) QD2 LEU 38 + H LEU 70 OK 22 100 45 50 4.4-7.2 2.1/10819=10...(15) QD1 ILE 76 - H LEU 70 far 0 96 0 - 7.2-8.5 QG2 VAL 32 - H LEU 70 far 0 96 0 - 8.4-9.4 QG2 ILE 8 - H LEU 70 far 0 79 0 - 8.8-9.9 QD2 LEU 103 - H LEU 70 far 0 99 0 - 9.9-21.6 Violated in 0 structures by 0.00 A. Peak 7154 from nnoeabs.peaks (0.81, 7.96, 119.43 ppm; 3.82 A): 3 out of 8 assignments used, quality = 1.00: * QD2 LEU 70 + H LEU 70 OK 100 100 100 100 1.9-3.6 3166=72, 2.1/3150=69...(23) QD1 LEU 70 + H LEU 70 OK 99 99 100 100 2.6-3.9 2.1/3150=69, 3.1/3142=64...(22) QD2 LEU 38 + H LEU 70 OK 21 96 45 49 4.4-7.2 2.1/10819=10...(15) QD1 ILE 76 - H LEU 70 far 0 100 0 - 7.2-8.5 QD1 LEU 6 - H LEU 70 far 0 63 0 - 8.0-11.1 QG2 VAL 32 - H LEU 70 far 0 87 0 - 8.4-9.4 QG2 ILE 8 - H LEU 70 far 0 91 0 - 8.8-9.9 QD2 LEU 103 - H LEU 70 far 0 93 0 - 9.9-21.6 Violated in 0 structures by 0.00 A. Peak 7155 from nnoeabs.peaks (8.26, 7.96, 119.43 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 71 + H LEU 70 OK 100 100 100 100 2.5-3.1 7157=100, 7159/3133=50...(22) Violated in 0 structures by 0.00 A. Peak 7156 from nnoeabs.peaks (8.26, 8.26, 119.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 71 + H ALA 71 OK 100 100 - 100 H PHE 45 + H PHE 45 OK 71 71 - 100 Peak 7157 from nnoeabs.peaks (7.96, 8.26, 119.60 ppm; 3.19 A): 1 out of 3 assignments used, quality = 0.99: * H LEU 70 + H ALA 71 OK 99 100 100 99 2.5-3.1 7155=71, 3133/7159=40...(22) H LEU 42 - H PHE 45 far 0 71 0 - 4.8-5.3 H LEU 42 - H ALA 71 far 0 100 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 7158 from nnoeabs.peaks (4.02, 8.26, 119.60 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 70 + H ALA 71 OK 100 100 100 100 3.6-3.6 3.6=100 HA GLU 69 + H ALA 71 OK 84 85 100 98 4.5-5.1 3.6/7157=64...(20) HA GLU 75 - H ALA 71 far 0 93 0 - 7.3-8.6 HB2 SER 49 - H PHE 45 far 0 36 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 7159 from nnoeabs.peaks (1.37, 8.26, 119.60 ppm; 2.94 A): 1 out of 10 assignments used, quality = 0.96: * HB2 LEU 70 + H ALA 71 OK 96 100 100 96 2.1-2.4 3140=46, 1.8/3149=45...(19) QB ALA 67 - H ALA 71 poor 14 73 40 48 3.9-4.8 2.1/7164=20...(8) HG2 LYS 39 - H ALA 71 far 0 87 0 - 5.4-8.7 HG3 LYS 68 - H ALA 71 far 0 92 0 - 5.5-7.8 HG3 LYS 40 - H PHE 45 far 0 68 0 - 6.9-9.3 HB3 ARG 30 - H PHE 45 far 0 71 0 - 8.7-10.1 HB3 LEU 2 - H PHE 45 far 0 39 0 - 8.9-11.8 HG2 LYS 39 - H PHE 45 far 0 55 0 - 9.0-10.3 QB ALA 67 - H PHE 45 far 0 45 0 - 9.3-10.7 HG12 ILE 8 - H ALA 71 far 0 100 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 7160 from nnoeabs.peaks (1.72, 8.26, 119.60 ppm; 3.43 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 70 + H ALA 71 OK 100 100 100 100 3.3-3.7 3149=78, 1.8/7159=74...(20) HG LEU 70 + H ALA 71 OK 93 95 100 98 3.4-4.2 3.0/7159=54, 3.0/3149=48...(19) HD3 LYS 47 - H PHE 45 far 2 42 5 - 4.9-8.0 HD2 LYS 47 - H PHE 45 far 0 41 0 - 5.6-7.9 HB3 LYS 40 - H PHE 45 far 0 45 0 - 7.4-8.7 HD3 LYS 66 - H ALA 71 far 0 97 0 - 7.5-9.2 HB2 GLU 28 - H PHE 45 far 0 51 0 - 8.2-10.2 HB2 LEU 2 - H PHE 45 far 0 65 0 - 9.0-11.7 HB3 LEU 70 - H PHE 45 far 0 71 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7161 from nnoeabs.peaks (1.70, 8.26, 119.60 ppm; 3.43 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 70 + H ALA 71 OK 98 100 100 98 3.4-4.2 3.0/7159=54, 3.0/3149=48...(19) HB3 LEU 70 + H ALA 71 OK 94 95 100 100 3.3-3.7 1.8/7159=74, 3149=72...(19) HD3 LYS 47 - H PHE 45 far 3 63 5 - 4.9-8.0 HD2 LYS 47 - H PHE 45 far 0 62 0 - 5.6-7.9 HD2 LYS 73 - H ALA 71 far 0 75 0 - 5.9-7.7 HD3 LYS 73 - H ALA 71 far 0 71 0 - 6.6-7.9 HB ILE 52 - H PHE 45 far 0 50 0 - 6.8-8.3 HB3 LYS 40 - H PHE 45 far 0 65 0 - 7.4-8.7 HD3 LYS 66 - H ALA 71 far 0 100 0 - 7.5-9.2 HB2 LEU 2 - H PHE 45 far 0 71 0 - 9.0-11.7 HB3 LEU 70 - H PHE 45 far 0 63 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 7162 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 3.83 A): 4 out of 15 assignments used, quality = 1.00: * QD1 LEU 70 + H ALA 71 OK 99 100 100 99 4.0-4.7 3.1/7159=62, 3.1/3149=57...(20) QD2 LEU 70 + H ALA 71 OK 99 99 100 99 4.0-4.5 3.1/7159=62, 3.1/3149=57...(20) QD1 ILE 76 + H PHE 45 OK 59 65 100 92 3.4-4.4 9630/6741=42...(15) QD1 ILE 76 + H ALA 71 OK 21 96 25 89 5.0-6.1 12176/7165=37, ~10837=26...(16) QD2 LEU 38 - H ALA 71 poor 10 100 30 34 4.3-7.4 3138/7159=6, 3155/3157=6...(10) QG2 ILE 52 - H PHE 45 far 2 38 5 - 4.9-6.6 QD2 LEU 2 - H PHE 45 far 0 70 0 - 6.6-10.1 QG2 VAL 32 - H ALA 71 far 0 96 0 - 7.8-8.7 QD2 LEU 38 - H PHE 45 far 0 70 0 - 8.1-11.1 QD2 LEU 103 - H ALA 71 far 0 99 0 - 8.5-19.6 QG2 VAL 32 - H PHE 45 far 0 64 0 - 8.9-10.0 QD1 LEU 70 - H PHE 45 far 0 71 0 - 9.2-11.4 QG2 ILE 8 - H ALA 71 far 0 79 0 - 9.3-10.3 QG2 ILE 52 - H ALA 71 far 0 63 0 - 9.4-13.0 QD2 LEU 70 - H PHE 45 far 0 69 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 7163 from nnoeabs.peaks (0.81, 8.26, 119.60 ppm; 3.83 A): 4 out of 17 assignments used, quality = 1.00: * QD2 LEU 70 + H ALA 71 OK 100 100 100 100 4.0-4.5 3.1/7159=62, 3.1/3149=57...(20) QD1 LEU 70 + H ALA 71 OK 99 99 100 99 4.0-4.7 3.1/7159=62, 3.1/3149=57...(20) QD1 ILE 76 + H PHE 45 OK 65 70 100 94 3.4-4.4 9630/6741=44...(16) QD1 ILE 76 + H ALA 71 OK 22 100 25 90 5.0-6.1 12176/7165=38, ~10837=26...(16) QD2 LEU 38 - H ALA 71 poor 10 96 30 34 4.3-7.4 3138/7159=6, 3155/3157=6...(10) QG2 ILE 52 - H PHE 45 far 2 49 5 - 4.9-6.6 QD1 LEU 6 - H ALA 71 far 0 63 0 - 6.4-9.5 QD1 LEU 6 - H PHE 45 far 0 38 0 - 6.5-7.7 QD2 LEU 2 - H PHE 45 far 0 71 0 - 6.6-10.1 QG2 VAL 32 - H ALA 71 far 0 87 0 - 7.8-8.7 QD2 LEU 38 - H PHE 45 far 0 65 0 - 8.1-11.1 QD2 LEU 103 - H ALA 71 far 0 93 0 - 8.5-19.6 QG2 VAL 32 - H PHE 45 far 0 55 0 - 8.9-10.0 QD1 LEU 70 - H PHE 45 far 0 69 0 - 9.2-11.4 QG2 ILE 8 - H ALA 71 far 0 91 0 - 9.3-10.3 QG2 ILE 52 - H ALA 71 far 0 79 0 - 9.4-13.0 QD2 LEU 70 - H PHE 45 far 0 71 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 7164 from nnoeabs.peaks (3.85, 8.26, 119.60 ppm; 3.21 A): 3 out of 10 assignments used, quality = 1.00: * HA ALA 71 + H ALA 71 OK 100 100 100 100 2.7-2.7 3.0=100 HA ALA 67 + H ALA 71 OK 80 99 100 81 3.5-4.4 3174=23, 7121/10805=19...(13) HA GLU 43 + H PHE 45 OK 30 38 100 79 3.7-4.3 3.6/6715=41, 2.9/6698=38...(9) HA LYS 40 - H PHE 45 far 0 61 0 - 6.1-7.2 HB3 SER 49 - H PHE 45 far 0 68 0 - 6.2-9.7 HA LEU 38 - H ALA 71 far 0 81 0 - 6.9-8.0 HA ALA 71 - H PHE 45 far 0 71 0 - 7.9-9.4 HA LEU 38 - H PHE 45 far 0 50 0 - 8.5-9.9 HA GLU 43 - H ALA 71 far 0 63 0 - 8.8-9.9 HA LYS 40 - H ALA 71 far 0 93 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 7165 from nnoeabs.peaks (1.41, 8.26, 119.60 ppm; 2.78 A): 1 out of 7 assignments used, quality = 0.95: * QB ALA 71 + H ALA 71 OK 95 100 100 95 2.0-2.2 2.9=86, 7170/7168=37...(12) HG13 ILE 76 - H PHE 45 far 0 53 0 - 4.9-6.5 HG3 LYS 39 - H ALA 71 far 0 75 0 - 5.1-8.8 QB ALA 71 - H PHE 45 far 0 71 0 - 7.5-9.0 HG13 ILE 76 - H ALA 71 far 0 84 0 - 7.6-8.9 HG3 LYS 39 - H PHE 45 far 0 46 0 - 8.3-10.6 HB3 ARG 30 - H PHE 45 far 0 34 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 7166 from nnoeabs.peaks (7.91, 8.26, 119.60 ppm; 3.13 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 72 + H ALA 71 OK 100 100 100 100 2.8-2.9 7168=98, 7170/7165=53...(17) H GLU 69 + H ALA 71 OK 79 100 90 88 4.1-4.7 7137/7155=42, 10805=26...(18) H ASP 65 - H ALA 71 far 0 98 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 7167 from nnoeabs.peaks (7.91, 7.91, 115.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 72 + H GLN 72 OK 100 100 - 100 Peak 7168 from nnoeabs.peaks (8.26, 7.91, 115.96 ppm; 3.16 A): 1 out of 1 assignment used, quality = 0.95: * H ALA 71 + H GLN 72 OK 95 100 100 95 2.8-2.9 7166=56, 7165/7170=53...(17) Violated in 0 structures by 0.00 A. Peak 7169 from nnoeabs.peaks (3.85, 7.91, 115.96 ppm; 3.77 A): 1 out of 4 assignments used, quality = 1.00: * HA ALA 71 + H GLN 72 OK 100 100 100 100 3.5-3.5 3.6=100 HA ALA 67 - H GLN 72 far 0 99 0 - 6.2-6.8 HA LEU 38 - H GLN 72 far 0 81 0 - 9.7-10.8 HA GLU 43 - H GLN 72 far 0 63 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 7170 from nnoeabs.peaks (1.41, 7.91, 115.96 ppm; 3.11 A): 1 out of 3 assignments used, quality = 0.96: * QB ALA 71 + H GLN 72 OK 96 100 100 96 2.6-2.8 3.6=63, 7165/7168=51...(18) HG3 LYS 39 - H GLN 72 far 0 75 0 - 7.1-10.6 HG13 ILE 76 - H GLN 72 far 0 84 0 - 7.5-8.8 Violated in 0 structures by 0.00 A. Peak 7171 from nnoeabs.peaks (4.15, 7.91, 115.96 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 72 + H GLN 72 OK 100 100 100 100 2.8-2.9 3.0=100 HA LYS 73 - H GLN 72 far 0 95 0 - 5.1-5.3 Violated in 0 structures by 0.00 A. Peak 7172 from nnoeabs.peaks (2.16, 7.91, 115.96 ppm; 3.09 A): 1 out of 11 assignments used, quality = 0.99: * HB2 GLN 72 + H GLN 72 OK 99 100 100 99 3.5-3.6 3191=84, 1.8/7173=71...(13) HB3 GLU 69 - H GLN 72 far 0 63 0 - 5.0-5.9 HG2 GLU 69 - H GLN 72 far 0 63 0 - 5.0-7.3 HB2 GLU 69 - H GLN 72 far 0 63 0 - 5.2-5.9 HG3 GLU 75 - H GLN 72 far 0 99 0 - 6.4-8.8 HG2 GLU 75 - H GLN 72 far 0 99 0 - 7.2-8.3 HB2 GLU 75 - H GLN 72 far 0 81 0 - 7.9-8.8 HB3 GLU 75 - H GLN 72 far 0 84 0 - 7.9-8.9 HG3 GLU 35 - H GLN 72 far 0 71 0 - 8.6-11.7 HG2 GLU 43 - H GLN 72 far 0 85 0 - 8.8-11.7 HG2 GLU 35 - H GLN 72 far 0 71 0 - 8.8-12.6 Violated in 20 structures by 0.50 A. Peak 7173 from nnoeabs.peaks (2.23, 7.91, 115.96 ppm; 3.00 A): 1 out of 3 assignments used, quality = 0.99: * HB3 GLN 72 + H GLN 72 OK 99 100 100 99 2.6-2.9 3200=79, 1.8/7172=65...(13) HG3 GLU 35 - H GLN 72 far 0 59 0 - 8.6-11.7 HG2 GLU 35 - H GLN 72 far 0 59 0 - 8.8-12.6 Violated in 0 structures by 0.00 A. Peak 7174 from nnoeabs.peaks (2.42, 7.91, 115.96 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + H GLN 72 OK 100 100 100 100 1.9-3.1 3.0/7173=70, 3.0/7172=69...(17) Violated in 0 structures by 0.00 A. Peak 7175 from nnoeabs.peaks (2.54, 7.91, 115.96 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + H GLN 72 OK 100 100 100 100 1.9-2.6 1.8/7174=68, 3.0/7173=65...(19) HG2 MET 74 + H GLN 72 OK 79 99 95 84 4.0-7.5 7228/10826=33...(11) Violated in 0 structures by 0.00 A. Peak 7178 from nnoeabs.peaks (7.84, 7.91, 115.96 ppm; 3.35 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 73 + H GLN 72 OK 100 100 100 100 2.5-2.7 7196=100, 7198/7172=48...(18) H LYS 66 - H GLN 72 far 0 59 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 7179 from nnoeabs.peaks (6.85, 6.85, 111.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HE21 GLN 72 OK 100 100 - 100 Peak 7182 from nnoeabs.peaks (2.16, 6.85, 111.53 ppm; 6.17 A): 4 out of 8 assignments used, quality = 1.00: * HB2 GLN 72 + HE21 GLN 72 OK 100 100 100 100 3.1-4.5 4.4=100 HB3 GLU 69 + HE21 GLN 72 OK 63 63 100 100 3.5-6.4 3.0/9570=85, ~9571=72...(12) HB2 GLU 69 + HE21 GLN 72 OK 63 63 100 100 4.7-7.1 3.0/9570=85, ~9571=72...(12) HG2 GLU 69 + HE21 GLN 72 OK 56 63 100 88 4.4-6.8 4.1/9570=74, ~9033=17...(7) HG2 GLU 104 - HE21 GLN 72 far 0 96 0 - 8.3-22.2 HG3 GLU 75 - HE21 GLN 72 far 0 99 0 - 8.5-12.9 HG2 GLU 75 - HE21 GLN 72 far 0 99 0 - 8.7-11.5 HG3 GLU 35 - HE21 GLN 72 far 0 71 0 - 9.8-15.1 Violated in 0 structures by 0.00 A. Peak 7184 from nnoeabs.peaks (2.42, 6.85, 111.53 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + HE21 GLN 72 OK 100 100 100 100 2.3-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7185 from nnoeabs.peaks (2.54, 6.85, 111.53 ppm; 4.73 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + HE21 GLN 72 OK 100 100 100 100 2.1-3.8 3.5=100 HG2 MET 74 - HE21 GLN 72 far 0 99 0 - 7.7-12.2 Violated in 0 structures by 0.00 A. Peak 7186 from nnoeabs.peaks (7.44, 6.85, 111.53 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 72 + HE21 GLN 72 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7187 from nnoeabs.peaks (7.44, 7.44, 111.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 72 + HE22 GLN 72 OK 100 100 - 100 Peak 7189 from nnoeabs.peaks (4.15, 7.44, 111.53 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HE22 GLN 72 OK 100 100 100 100 4.7-6.5 5.7=86, 3186/3.5=66...(8) HA LYS 73 - HE22 GLN 72 far 5 95 5 - 6.1-8.9 Violated in 6 structures by 0.09 A. Peak 7190 from nnoeabs.peaks (2.16, 7.44, 111.53 ppm; 5.23 A): 4 out of 7 assignments used, quality = 1.00: * HB2 GLN 72 + HE22 GLN 72 OK 100 100 100 100 3.6-4.4 4.4=100 HB3 GLU 69 + HE22 GLN 72 OK 56 63 90 98 3.7-7.7 3.0/9571=74, ~9570=50...(12) HB2 GLU 69 + HE22 GLN 72 OK 53 63 85 98 5.3-8.2 3.0/9571=74, ~9570=50...(13) HG2 GLU 69 + HE22 GLN 72 OK 40 63 80 78 3.6-8.0 4.1/9571=62, 1.8/9033=13...(8) HG2 GLU 104 - HE22 GLN 72 far 0 96 0 - 8.6-22.3 HG3 GLU 75 - HE22 GLN 72 far 0 99 0 - 8.7-12.4 HG2 GLU 75 - HE22 GLN 72 far 0 99 0 - 9.1-11.3 Violated in 0 structures by 0.00 A. Peak 7191 from nnoeabs.peaks (2.23, 7.44, 111.53 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 72 + HE22 GLN 72 OK 100 100 100 100 2.5-5.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 7192 from nnoeabs.peaks (2.42, 7.44, 111.53 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + HE22 GLN 72 OK 100 100 100 100 2.3-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 7193 from nnoeabs.peaks (2.54, 7.44, 111.53 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + HE22 GLN 72 OK 100 100 100 100 2.1-3.8 3.5=100 HG2 MET 74 - HE22 GLN 72 far 0 99 0 - 7.9-13.0 Violated in 0 structures by 0.00 A. Peak 7194 from nnoeabs.peaks (6.85, 7.44, 111.53 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HE22 GLN 72 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 7195 from nnoeabs.peaks (7.84, 7.84, 119.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + H LYS 73 OK 100 100 - 100 Peak 7196 from nnoeabs.peaks (7.91, 7.84, 119.03 ppm; 3.11 A): 1 out of 2 assignments used, quality = 0.99: * H GLN 72 + H LYS 73 OK 99 100 100 99 2.5-2.7 7178=80, 7172/7198=41...(17) H GLU 69 - H LYS 73 far 0 100 0 - 6.2-6.8 Violated in 0 structures by 0.00 A. Peak 7197 from nnoeabs.peaks (4.15, 7.84, 119.03 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 72 + H LYS 73 OK 99 100 100 99 3.5-3.5 3.6=76, 3.0/7196=54...(15) HA LYS 73 + H LYS 73 OK 95 95 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7198 from nnoeabs.peaks (2.16, 7.84, 119.03 ppm; 3.52 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLN 72 + H LYS 73 OK 100 100 100 100 3.5-4.0 1.8/7199=69, 3199=68...(15) HB3 GLU 69 - H LYS 73 far 6 63 10 - 5.0-6.3 HG2 GLU 69 - H LYS 73 far 3 63 5 - 4.9-7.9 HG3 GLU 75 - H LYS 73 far 0 99 0 - 5.3-7.1 HB2 GLU 69 - H LYS 73 far 0 63 0 - 5.4-6.8 HG2 GLU 75 - H LYS 73 far 0 99 0 - 5.8-6.9 HB2 GLU 75 - H LYS 73 far 0 81 0 - 7.0-7.6 HB3 GLU 75 - H LYS 73 far 0 84 0 - 7.5-7.9 HG2 GLU 43 - H LYS 73 far 0 85 0 - 7.7-10.8 HG3 GLU 35 - H LYS 73 far 0 71 0 - 8.2-11.1 HG2 GLU 35 - H LYS 73 far 0 71 0 - 8.6-12.2 Violated in 20 structures by 0.34 A. Peak 7199 from nnoeabs.peaks (2.23, 7.84, 119.03 ppm; 3.65 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 72 + H LYS 73 OK 100 100 100 100 2.6-4.1 1.8/7198=77, 3208=74...(15) HG3 GLU 35 - H LYS 73 far 0 59 0 - 8.2-11.1 HG2 GLU 35 - H LYS 73 far 0 59 0 - 8.6-12.2 Violated in 3 structures by 0.06 A. Peak 7200 from nnoeabs.peaks (2.42, 7.84, 119.03 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + H LYS 73 OK 100 100 100 100 2.1-4.5 3.0/7198=83, 3.0/7199=81...(14) Violated in 0 structures by 0.00 A. Peak 7201 from nnoeabs.peaks (2.54, 7.84, 119.03 ppm; 4.42 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + H LYS 73 OK 100 100 100 100 2.7-4.6 3.0/7198=79, 3.0/7199=77...(14) HG2 MET 74 + H LYS 73 OK 92 99 95 98 3.3-6.3 7228/7213=72...(13) Violated in 0 structures by 0.00 A. Peak 7204 from nnoeabs.peaks (4.17, 7.84, 119.03 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 73 + H LYS 73 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLN 72 + H LYS 73 OK 92 95 100 98 3.5-3.5 3.6=63, 3.0/7196=48...(15) Violated in 0 structures by 0.00 A. Peak 7205 from nnoeabs.peaks (1.96, 7.84, 119.03 ppm; 2.81 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.3-2.8 3238=37, 2.9/7208=35...(29) HB3 LYS 73 + H LYS 73 OK 96 100 100 96 3.6-3.6 3238=36, 2.9/7208=35...(27) HB3 MET 74 - H LYS 73 far 0 100 0 - 4.7-6.1 HB2 ARG 46 - H LYS 73 far 0 95 0 - 8.2-11.6 HB3 ARG 46 - H LYS 73 far 0 100 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 7206 from nnoeabs.peaks (1.96, 7.84, 119.03 ppm; 2.81 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 73 + H LYS 73 OK 97 100 100 97 2.3-2.8 3249=37, 2.9/7208=35...(29) * HB3 LYS 73 + H LYS 73 OK 96 100 100 96 3.6-3.6 3249=36, 2.9/7208=35...(27) HB3 MET 74 - H LYS 73 far 0 100 0 - 4.7-6.1 HB2 ARG 46 - H LYS 73 far 0 94 0 - 8.2-11.6 HB3 ARG 46 - H LYS 73 far 0 100 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 7207 from nnoeabs.peaks (1.49, 7.84, 119.03 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 73 + H LYS 73 OK 100 100 100 100 2.1-3.1 1.8/7208=85, 3260=76...(28) HG LEU 38 - H LYS 73 far 0 71 0 - 8.8-11.2 HB2 LEU 38 - H LYS 73 far 0 63 0 - 9.2-10.7 HG3 LYS 66 - H LYS 73 far 0 100 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 7208 from nnoeabs.peaks (1.60, 7.84, 119.03 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 73 + H LYS 73 OK 100 100 100 100 2.0-3.5 1.8/7207=60, 3271=37...(32) Violated in 3 structures by 0.00 A. Peak 7209 from nnoeabs.peaks (1.67, 7.84, 119.03 ppm; 4.25 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 73 + H LYS 73 OK 100 100 100 100 4.2-4.6 3.0/7208=76, 3.0/7207=68...(40) HD3 LYS 73 + H LYS 73 OK 100 100 100 100 4.4-4.9 3.0/7208=76, 3.0/7207=68...(38) HG LEU 70 - H LYS 73 far 0 75 0 - 6.1-6.7 HB ILE 76 - H LYS 73 far 0 88 0 - 6.8-7.4 HD2 LYS 68 - H LYS 73 far 0 96 0 - 6.9-9.6 HG2 LYS 68 - H LYS 73 far 0 85 0 - 7.0-10.3 HD2 LYS 39 - H LYS 73 far 0 98 0 - 7.2-10.3 HD3 LYS 39 - H LYS 73 far 0 84 0 - 7.6-9.7 HD3 LYS 68 - H LYS 73 far 0 96 0 - 8.4-10.3 HD3 LYS 66 - H LYS 73 far 0 70 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 7210 from nnoeabs.peaks (1.67, 7.84, 119.03 ppm; 3.98 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 73 + H LYS 73 OK 100 100 100 100 4.4-4.9 3.0/7208=69, 3.0/7207=61...(38) HD2 LYS 73 + H LYS 73 OK 100 100 100 100 4.2-4.6 3.0/7208=69, 3.0/7207=61...(40) HG LEU 70 - H LYS 73 far 0 71 0 - 6.1-6.7 HB ILE 76 - H LYS 73 far 0 91 0 - 6.8-7.4 HD2 LYS 68 - H LYS 73 far 0 98 0 - 6.9-9.6 HG2 LYS 68 - H LYS 73 far 0 88 0 - 7.0-10.3 HD2 LYS 39 - H LYS 73 far 0 99 0 - 7.2-10.3 HD3 LYS 39 - H LYS 73 far 0 87 0 - 7.6-9.7 HD3 LYS 68 - H LYS 73 far 0 97 0 - 8.4-10.3 HD3 LYS 66 - H LYS 73 far 0 65 0 - 9.3-11.4 Violated in 6 structures by 0.02 A. Peak 7211 from nnoeabs.peaks (2.95, 7.84, 119.03 ppm; 5.64 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 73 + H LYS 73 OK 100 100 100 100 4.2-6.1 4.0/7208=89, 4.0/7207=84...(25) HE3 LYS 73 + H LYS 73 OK 100 100 100 100 4.6-5.5 4.0/7208=89, 4.0/7207=84...(25) Violated in 0 structures by 0.00 A. Peak 7212 from nnoeabs.peaks (2.95, 7.84, 119.03 ppm; 5.64 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 73 + H LYS 73 OK 100 100 100 100 4.6-5.5 4.0/7208=89, 4.0/7207=84...(25) HE2 LYS 73 + H LYS 73 OK 100 100 100 100 4.2-6.1 4.0/7208=89, 4.0/7207=84...(25) HE3 LYS 68 - H LYS 73 far 0 61 0 - 8.2-11.4 HE2 LYS 68 - H LYS 73 far 0 65 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 7213 from nnoeabs.peaks (7.75, 7.84, 119.03 ppm; 3.15 A): 1 out of 2 assignments used, quality = 0.98: * H MET 74 + H LYS 73 OK 98 100 100 98 2.5-2.7 7215=79, 10826/7196=28...(18) H VAL 78 - H LYS 73 far 0 99 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 7214 from nnoeabs.peaks (7.75, 7.75, 115.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 74 + H MET 74 OK 100 100 - 100 Peak 7215 from nnoeabs.peaks (7.84, 7.75, 115.79 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 73 + H MET 74 OK 100 100 100 100 2.5-2.7 7213=100, 7196/10826=34...(18) H TYR 41 - H MET 74 far 0 94 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 7216 from nnoeabs.peaks (4.17, 7.75, 115.79 ppm; 3.80 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 73 + H MET 74 OK 100 100 100 100 3.4-3.5 3.6=100 HA GLN 72 + H MET 74 OK 93 95 100 98 3.8-4.5 3.6/7213=59, 10848=51...(15) Violated in 0 structures by 0.00 A. Peak 7217 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.05 A): 3 out of 5 assignments used, quality = 1.00: HB3 MET 74 + H MET 74 OK 97 100 100 97 2.3-3.6 1.8/7226=50, 4.0=43...(15) * HB2 LYS 73 + H MET 74 OK 94 100 100 94 2.6-3.1 4.1/7213=32, 4.6=28...(22) HB3 LYS 73 + H MET 74 OK 92 100 100 92 3.5-4.2 4.1/7213=32, 4.6=28...(18) HB2 ARG 46 - H MET 74 far 0 95 0 - 5.7-9.2 HB3 ARG 46 - H MET 74 far 0 100 0 - 6.0-8.9 Violated in 0 structures by 0.00 A. Peak 7218 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.05 A): 3 out of 5 assignments used, quality = 1.00: HB3 MET 74 + H MET 74 OK 97 100 100 97 2.3-3.6 1.8/7226=50, 4.0=43...(15) HB2 LYS 73 + H MET 74 OK 94 100 100 94 2.6-3.1 4.1/7213=32, 4.6=28...(22) * HB3 LYS 73 + H MET 74 OK 92 100 100 92 3.5-4.2 4.1/7213=32, 4.6=28...(18) HB2 ARG 46 - H MET 74 far 0 94 0 - 5.7-9.2 HB3 ARG 46 - H MET 74 far 0 100 0 - 6.0-8.9 Violated in 0 structures by 0.00 A. Peak 7219 from nnoeabs.peaks (1.49, 7.75, 115.79 ppm; 5.09 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 73 + H MET 74 OK 100 100 100 100 4.2-4.9 7207/7213=85...(16) HB2 LEU 38 - H MET 74 far 0 63 0 - 8.6-11.1 HG LEU 38 - H MET 74 far 0 71 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 7220 from nnoeabs.peaks (1.60, 7.75, 115.79 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 73 + H MET 74 OK 100 100 100 100 3.9-5.1 7208/7213=89...(16) Violated in 2 structures by 0.00 A. Peak 7221 from nnoeabs.peaks (1.67, 7.75, 115.79 ppm; 5.16 A): 3 out of 9 assignments used, quality = 1.00: * HD2 LYS 73 + H MET 74 OK 100 100 100 100 5.4-5.9 3.0/7220=71, 3.0/7219=69...(12) HD3 LYS 73 + H MET 74 OK 100 100 100 100 5.4-6.1 3.0/7220=71, 3.0/7219=69...(11) HB ILE 76 + H MET 74 OK 88 88 100 99 5.2-5.9 4.0/9583=66, 3.0/9591=62...(15) HG LEU 70 - H MET 74 far 0 75 0 - 6.8-7.9 HD3 LYS 39 - H MET 74 far 0 84 0 - 7.0-9.0 HD2 LYS 39 - H MET 74 far 0 98 0 - 7.2-10.1 HD2 LYS 68 - H MET 74 far 0 96 0 - 8.5-11.6 HG2 LYS 68 - H MET 74 far 0 85 0 - 9.2-11.8 HD3 LYS 68 - H MET 74 far 0 96 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 7222 from nnoeabs.peaks (1.67, 7.75, 115.79 ppm; 4.92 A): 3 out of 9 assignments used, quality = 1.00: HD2 LYS 73 + H MET 74 OK 99 100 100 99 5.4-5.9 3.0/7220=66, 3.0/7219=64...(12) * HD3 LYS 73 + H MET 74 OK 99 100 100 99 5.4-6.1 3.0/7220=66, 3.0/7219=64...(11) HB ILE 76 + H MET 74 OK 90 91 100 99 5.2-5.9 4.0/9583=61, 3.0/9591=56...(15) HG LEU 70 - H MET 74 far 0 71 0 - 6.8-7.9 HD3 LYS 39 - H MET 74 far 0 87 0 - 7.0-9.0 HD2 LYS 39 - H MET 74 far 0 99 0 - 7.2-10.1 HD2 LYS 68 - H MET 74 far 0 98 0 - 8.5-11.6 HG2 LYS 68 - H MET 74 far 0 88 0 - 9.2-11.8 HD3 LYS 68 - H MET 74 far 0 97 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 7225 from nnoeabs.peaks (4.40, 7.75, 115.79 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 74 + H MET 74 OK 100 100 100 100 2.8-2.9 3.0=100 HA ILE 76 - H MET 74 far 0 85 0 - 6.3-6.9 Violated in 0 structures by 0.00 A. Peak 7226 from nnoeabs.peaks (2.06, 7.75, 115.79 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 74 + H MET 74 OK 100 100 100 100 2.9-3.5 4.0=75, 2.9/7228=58...(16) HB3 LEU 38 - H MET 74 far 0 99 0 - 7.9-11.3 HB3 GLU 43 - H MET 74 far 0 100 0 - 8.4-9.9 HB3 GLU 35 - H MET 74 far 0 94 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 7227 from nnoeabs.peaks (1.96, 7.75, 115.79 ppm; 3.05 A): 4 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + H MET 74 OK 97 100 100 97 2.3-3.6 1.8/7226=50, 4.0=43...(16) HB2 LYS 73 + H MET 74 OK 94 100 100 94 2.6-3.1 4.1/7213=32, 4.6=28...(22) HB3 LYS 73 + H MET 74 OK 91 100 100 92 3.5-4.2 4.1/7213=32, 4.6=28...(18) QE MET 74 + H MET 74 OK 52 59 100 88 2.9-4.0 3.4/7228=35, 3.4/7229=34...(17) HB2 ARG 46 - H MET 74 far 0 98 0 - 5.7-9.2 HB3 ARG 46 - H MET 74 far 0 100 0 - 6.0-8.9 Violated in 0 structures by 0.00 A. Peak 7228 from nnoeabs.peaks (2.53, 7.75, 115.79 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 74 + H MET 74 OK 100 100 100 100 1.5-4.0 1.8/7229=72, 3350=71...(22) HG3 GLN 72 - H MET 74 far 10 99 10 - 5.0-6.2 Violated in 1 structures by 0.02 A. Peak 7229 from nnoeabs.peaks (2.62, 7.75, 115.79 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 74 + H MET 74 OK 100 100 100 100 2.2-3.9 1.8/7228=75, 2.9/7226=58...(22) Violated in 1 structures by 0.01 A. Peak 7230 from nnoeabs.peaks (2.00, 7.75, 115.79 ppm; 3.61 A): 2 out of 3 assignments used, quality = 1.00: * QE MET 74 + H MET 74 OK 99 100 100 99 2.9-4.0 3.4/7228=50, 3.4/7229=49...(23) HB3 MET 74 + H MET 74 OK 59 59 100 100 2.3-3.6 4.0=72, 1.8/7226=71...(14) HB2 ARG 46 - H MET 74 far 0 82 0 - 5.7-9.2 Violated in 0 structures by 0.00 A. Peak 7231 from nnoeabs.peaks (8.08, 7.75, 115.79 ppm; 3.57 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + H MET 74 OK 100 100 100 100 2.1-2.6 7233=94, 4.3/7226=37...(20) H LYS 39 - H MET 74 far 0 100 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 7232 from nnoeabs.peaks (8.08, 8.08, 116.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 75 + H GLU 75 OK 100 100 - 100 Peak 7233 from nnoeabs.peaks (7.75, 8.08, 116.25 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * H MET 74 + H GLU 75 OK 100 100 100 100 2.1-2.6 7231=100, 7226/4.3=39...(20) H VAL 78 - H GLU 75 far 0 99 0 - 6.9-7.3 H SER 49 - H GLU 75 far 0 91 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 7234 from nnoeabs.peaks (4.40, 8.08, 116.25 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 74 + H GLU 75 OK 100 100 100 100 3.3-3.4 3.6=100 HA ILE 76 + H GLU 75 OK 78 85 100 91 5.1-5.3 3.0/7247=63, ~7248=26...(12) HA GLN 50 - H GLU 75 far 0 100 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 7235 from nnoeabs.peaks (2.06, 8.08, 116.25 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 74 + H GLU 75 OK 100 100 100 100 3.3-4.5 4.3=100 HB3 GLU 43 - H GLU 75 far 0 100 0 - 9.5-11.1 HB3 LEU 38 - H GLU 75 far 0 99 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 7236 from nnoeabs.peaks (1.96, 8.08, 116.25 ppm; 4.42 A): 4 out of 6 assignments used, quality = 1.00: * HB3 MET 74 + H GLU 75 OK 100 100 100 100 3.4-4.5 4.3=100 HB2 LYS 73 + H GLU 75 OK 94 100 100 94 4.7-5.0 4.6/7231=53...(10) HB3 LYS 73 + H GLU 75 OK 89 100 100 90 5.1-5.7 4.6/7231=53...(7) QE MET 74 + H GLU 75 OK 45 59 100 77 4.7-5.4 6.0/7231=35, 3367/3.6=28...(7) HB2 ARG 46 - H GLU 75 far 15 98 15 - 5.2-9.1 HB3 ARG 46 - H GLU 75 far 0 100 0 - 6.2-9.1 Violated in 0 structures by 0.00 A. Peak 7237 from nnoeabs.peaks (2.53, 8.08, 116.25 ppm; 5.50 A): 2 out of 2 assignments used, quality = 1.00: * HG2 MET 74 + H GLU 75 OK 100 100 100 100 2.6-5.3 4.8=100 HG3 GLN 72 + H GLU 75 OK 90 99 100 91 5.4-6.8 4.8/10827=61...(7) Violated in 0 structures by 0.00 A. Peak 7238 from nnoeabs.peaks (2.62, 8.08, 116.25 ppm; 6.37 A): 1 out of 2 assignments used, quality = 1.00: * HG3 MET 74 + H GLU 75 OK 100 100 100 100 3.3-5.5 4.8=100 HB3 ASP 77 - H GLU 75 far 0 98 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 7239 from nnoeabs.peaks (2.00, 8.08, 116.25 ppm; 4.77 A): 2 out of 3 assignments used, quality = 0.99: * QE MET 74 + H GLU 75 OK 97 100 100 97 4.7-5.4 3367/3.6=66...(8) HB3 MET 74 + H GLU 75 OK 59 59 100 100 3.4-4.5 4.3=100 HB2 ARG 46 - H GLU 75 poor 9 82 35 30 5.2-9.1 3332/3.6=11, 3340/4.3=8...(5) Violated in 0 structures by 0.00 A. Peak 7240 from nnoeabs.peaks (4.00, 8.08, 116.25 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 75 + H GLU 75 OK 100 100 100 100 2.3-2.3 2.9=100 HA LEU 70 - H GLU 75 far 0 93 0 - 6.0-6.9 HA GLU 69 - H GLU 75 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 7241 from nnoeabs.peaks (2.13, 8.08, 116.25 ppm; 3.50 A): 4 out of 8 assignments used, quality = 0.99: * HB2 GLU 75 + H GLU 75 OK 93 100 100 93 3.5-3.8 4.0=65, 4.1/7247=39...(13) HG2 GLU 75 + H GLU 75 OK 54 63 100 85 2.7-4.0 5.0=34, 1.8/3402=21...(16) HG3 GLU 75 + H GLU 75 OK 51 59 100 86 2.7-3.8 5.0=34, 1.8/3402=21...(16) HB2 GLN 72 + H GLU 75 OK 30 81 50 74 4.8-5.3 3.9/10827=29...(10) HB3 GLU 69 - H GLU 75 far 0 99 0 - 8.6-10.0 HG2 GLU 69 - H GLU 75 far 0 99 0 - 8.9-11.6 HB2 GLU 69 - H GLU 75 far 0 99 0 - 9.1-10.4 HB3 GLN 50 - H GLU 75 far 0 59 0 - 9.4-16.0 Violated in 0 structures by 0.00 A. Peak 7242 from nnoeabs.peaks (2.19, 8.08, 116.25 ppm; 3.57 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLU 75 + H GLU 75 OK 94 100 100 94 4.1-4.1 4.0=69, 4.1/7247=41...(12) HG3 GLU 75 + H GLU 75 OK 89 96 100 92 2.7-3.8 5.0=36, 3403/2.9=26...(17) HG2 GLU 75 + H GLU 75 OK 85 95 100 90 2.7-4.0 5.0=36, 3403/2.9=26...(17) HB2 GLN 72 + H GLU 75 OK 37 84 55 80 4.8-5.3 3.9/10827=30...(11) HG2 GLU 43 - H GLU 75 far 0 100 0 - 7.1-10.3 HB3 GLN 50 - H GLU 75 far 0 96 0 - 9.4-16.0 Violated in 0 structures by 0.00 A. Peak 7243 from nnoeabs.peaks (2.17, 8.08, 116.25 ppm; 3.35 A): 4 out of 7 assignments used, quality = 1.00: HG3 GLU 75 + H GLU 75 OK 89 100 100 89 2.7-3.8 5.0=29, 3403/2.9=24...(17) * HG2 GLU 75 + H GLU 75 OK 87 100 100 87 2.7-4.0 5.0=29, 3403/2.9=24...(17) HB3 GLU 75 + H GLU 75 OK 85 95 100 89 4.1-4.1 4.0=57, 4.1/7247=36...(11) HB2 GLU 75 + H GLU 75 OK 57 63 100 91 3.5-3.8 4.0=57, 4.1/7247=36...(13) HB2 GLN 72 - H GLU 75 far 15 99 15 - 4.8-5.3 HG2 GLU 43 - H GLU 75 far 0 96 0 - 7.1-10.3 HB3 GLN 50 - H GLU 75 far 0 100 0 - 9.4-16.0 Violated in 0 structures by 0.00 A. Peak 7244 from nnoeabs.peaks (2.17, 8.08, 116.25 ppm; 3.35 A): 4 out of 7 assignments used, quality = 1.00: * HG3 GLU 75 + H GLU 75 OK 89 100 100 89 2.7-3.8 5.0=29, 3403/2.9=24...(17) HG2 GLU 75 + H GLU 75 OK 87 100 100 87 2.7-4.0 5.0=29, 3403/2.9=24...(17) HB3 GLU 75 + H GLU 75 OK 86 96 100 89 4.1-4.1 4.0=57, 4.1/7247=36...(11) HB2 GLU 75 + H GLU 75 OK 54 59 100 90 3.5-3.8 4.0=57, 4.1/7247=36...(12) HB2 GLN 72 - H GLU 75 far 15 99 15 - 4.8-5.3 HG2 GLU 43 - H GLU 75 far 0 97 0 - 7.1-10.3 HB3 GLN 50 - H GLU 75 far 0 100 0 - 9.4-16.0 Violated in 0 structures by 0.00 A. Peak 7245 from nnoeabs.peaks (7.56, 8.08, 116.25 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + H GLU 75 OK 100 100 100 100 2.5-2.9 7247=100, 7248/2.9=67...(16) Violated in 0 structures by 0.00 A. Peak 7246 from nnoeabs.peaks (7.56, 7.56, 115.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + H ILE 76 OK 100 100 - 100 Peak 7247 from nnoeabs.peaks (8.08, 7.56, 115.96 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 75 + H ILE 76 OK 99 100 100 99 2.5-2.9 7245=80, 2.9/7248=59...(16) Violated in 0 structures by 0.00 A. Peak 7248 from nnoeabs.peaks (4.00, 7.56, 115.96 ppm; 3.22 A): 1 out of 3 assignments used, quality = 0.98: * HA GLU 75 + H ILE 76 OK 98 100 100 98 2.6-3.1 3380=83, 2.9/7247=47...(17) HA LEU 70 - H ILE 76 far 0 93 0 - 7.3-8.1 HA GLU 69 - H ILE 76 far 0 100 0 - 8.4-9.5 Violated in 0 structures by 0.00 A. Peak 7249 from nnoeabs.peaks (2.13, 7.56, 115.96 ppm; 3.96 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLU 75 + H ILE 76 OK 99 100 100 99 3.8-4.4 4.1=89, 2.9/7248=73...(9) HG2 GLU 75 + H ILE 76 OK 57 63 100 89 4.6-5.4 4.0/7248=55, 5.0/7247=38...(12) HG3 GLU 75 + H ILE 76 OK 53 59 100 90 4.6-5.3 4.0/7248=55, 5.0/7247=38...(12) HB2 GLN 72 - H ILE 76 far 0 81 0 - 6.0-7.1 HB3 GLN 50 - H ILE 76 far 0 59 0 - 8.2-14.1 HB3 GLU 69 - H ILE 76 far 0 99 0 - 10.0-11.1 Violated in 1 structures by 0.00 A. Peak 7250 from nnoeabs.peaks (2.19, 7.56, 115.96 ppm; 4.14 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 75 + H ILE 76 OK 100 100 100 100 4.4-4.5 4.1=100 HG3 GLU 75 + H ILE 76 OK 93 96 100 96 4.6-5.3 4.0/7248=59, 5.0/7247=42...(13) HG2 GLU 75 + H ILE 76 OK 90 95 100 95 4.6-5.4 4.0/7248=59, 5.0/7247=42...(13) HB2 GLN 72 - H ILE 76 far 0 84 0 - 6.0-7.1 HG2 GLU 43 - H ILE 76 far 0 100 0 - 6.6-10.7 HB3 GLN 50 - H ILE 76 far 0 96 0 - 8.2-14.1 Violated in 0 structures by 0.00 A. Peak 7251 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 3.83 A): 3 out of 7 assignments used, quality = 1.00: HB3 GLU 75 + H ILE 76 OK 94 95 100 99 4.4-4.5 4.1=81, 2.9/7248=70...(10) HG3 GLU 75 + H ILE 76 OK 93 100 100 93 4.6-5.3 4.0/7248=51, 5.0/7247=35...(13) HB2 GLU 75 + H ILE 76 OK 63 63 100 99 3.8-4.4 4.1=81, 2.9/7248=70...(9) ! HG2 GLU 75 - H ILE 76 far 10 100 10 - 4.6-5.4 HB2 GLN 72 - H ILE 76 far 0 99 0 - 6.0-7.1 HG2 GLU 43 - H ILE 76 far 0 96 0 - 6.6-10.7 HB3 GLN 50 - H ILE 76 far 0 100 0 - 8.2-14.1 Violated in 0 structures by 0.00 A. Peak 7252 from nnoeabs.peaks (2.17, 7.56, 115.96 ppm; 3.83 A): 3 out of 7 assignments used, quality = 1.00: HB3 GLU 75 + H ILE 76 OK 95 96 100 99 4.4-4.5 4.1=81, 2.9/7248=70...(10) * HG3 GLU 75 + H ILE 76 OK 93 100 100 93 4.6-5.3 4.0/7248=51, 5.0/7247=35...(13) HB2 GLU 75 + H ILE 76 OK 58 59 100 99 3.8-4.4 4.1=81, 2.9/7248=70...(9) HG2 GLU 75 - H ILE 76 far 10 100 10 - 4.6-5.4 HB2 GLN 72 - H ILE 76 far 0 99 0 - 6.0-7.1 HG2 GLU 43 - H ILE 76 far 0 97 0 - 6.6-10.7 HB3 GLN 50 - H ILE 76 far 0 100 0 - 8.2-14.1 Violated in 0 structures by 0.00 A. Peak 7253 from nnoeabs.peaks (4.43, 7.56, 115.96 ppm; 3.57 A): 2 out of 3 assignments used, quality = 1.00: * HA ILE 76 + H ILE 76 OK 100 100 100 100 2.9-2.9 3.0=100 HA MET 74 + H ILE 76 OK 65 85 80 95 4.3-5.4 3.6/7247=48, 3.0/9645=39...(16) HA GLN 50 - H ILE 76 far 0 77 0 - 7.5-12.6 Violated in 0 structures by 0.00 A. Peak 7254 from nnoeabs.peaks (1.64, 7.56, 115.96 ppm; 3.53 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 76 + H ILE 76 OK 100 100 100 100 2.5-3.0 3417=86, 2.1/7255=64...(17) HD2 LYS 68 - H ILE 76 far 0 99 0 - 8.9-12.7 HB ILE 52 - H ILE 76 far 0 84 0 - 9.1-10.8 HD3 LYS 73 - H ILE 76 far 0 91 0 - 9.2-9.8 HD2 LYS 73 - H ILE 76 far 0 88 0 - 9.3-9.8 HG2 LYS 68 - H ILE 76 far 0 100 0 - 9.4-12.2 HD3 LYS 68 - H ILE 76 far 0 100 0 - 9.5-12.8 HG3 LYS 47 - H ILE 76 far 0 90 0 - 9.6-13.2 HB3 ARG 79 - H ILE 76 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 7255 from nnoeabs.peaks (0.88, 7.56, 115.96 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * QG2 ILE 76 + H ILE 76 OK 100 100 100 100 3.8-3.9 3425=78, 2.1/7254=70...(20) QD1 LEU 38 - H ILE 76 far 0 88 0 - 7.3-10.7 QD1 LEU 103 - H ILE 76 far 0 93 0 - 8.4-18.5 Violated in 20 structures by 0.20 A. Peak 7256 from nnoeabs.peaks (1.09, 7.56, 115.96 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + H ILE 76 OK 100 100 100 100 2.0-2.4 3433=62, 3.0/7254=54...(21) Violated in 0 structures by 0.00 A. Peak 7257 from nnoeabs.peaks (1.44, 7.56, 115.96 ppm; 3.63 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 76 + H ILE 76 OK 100 100 100 100 3.1-3.7 1.8/7256=75, 3.0/7254=57...(20) QB ALA 71 + H ILE 76 OK 78 84 100 92 3.3-4.5 2.1/9649=46...(17) HG13 ILE 52 - H ILE 76 far 0 91 0 - 7.9-11.6 HG3 LYS 39 - H ILE 76 far 0 100 0 - 8.9-11.2 HD2 LYS 53 - H ILE 76 far 0 88 0 - 9.1-10.6 HG LEU 38 - H ILE 76 far 0 88 0 - 9.7-12.3 HG2 LYS 53 - H ILE 76 far 0 82 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 7258 from nnoeabs.peaks (0.80, 7.56, 115.96 ppm; 4.25 A): 2 out of 10 assignments used, quality = 1.00: * QD1 ILE 76 + H ILE 76 OK 100 100 100 100 3.3-3.9 2.1/7256=87, 3449=85...(17) QD2 LEU 42 + H ILE 76 OK 37 70 70 76 5.4-6.6 10599/4.5=28...(11) QG2 ILE 52 - H ILE 76 far 0 90 0 - 5.9-9.8 QG1 VAL 54 - H ILE 76 far 0 59 0 - 7.0-8.5 QD2 LEU 70 - H ILE 76 far 0 100 0 - 8.0-9.0 QD2 LEU 103 - H ILE 76 far 0 84 0 - 8.0-17.6 QD2 LEU 38 - H ILE 76 far 0 90 0 - 8.2-11.7 QD1 LEU 70 - H ILE 76 far 0 96 0 - 8.3-9.2 QD1 LEU 6 - H ILE 76 far 0 77 0 - 8.8-11.3 QD2 LEU 2 - H ILE 76 far 0 99 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 7259 from nnoeabs.peaks (8.89, 7.56, 115.96 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + H ILE 76 OK 100 100 100 100 4.5-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 7260 from nnoeabs.peaks (8.89, 8.89, 126.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + H ASP 77 OK 100 100 - 100 Peak 7261 from nnoeabs.peaks (7.56, 8.89, 126.14 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + H ASP 77 OK 100 100 100 100 4.5-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 7262 from nnoeabs.peaks (4.43, 8.89, 126.14 ppm; 3.22 A): 1 out of 4 assignments used, quality = 0.99: * HA ILE 76 + H ASP 77 OK 99 100 100 99 2.2-2.4 3416=91, 3.2/7264=39...(13) HA GLN 50 - H ASP 77 far 0 77 0 - 5.0-8.8 HA MET 74 - H ASP 77 far 0 85 0 - 8.5-9.0 HA GLU 48 - H ASP 77 far 0 100 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 7263 from nnoeabs.peaks (1.64, 8.89, 126.14 ppm; 4.01 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 76 + H ASP 77 OK 100 100 100 100 3.1-3.9 3424=99, 2.1/7264=76...(18) HB ILE 52 - H ASP 77 far 4 84 5 - 5.1-7.0 HB3 ARG 79 - H ASP 77 far 0 99 0 - 8.1-10.2 HG3 LYS 47 - H ASP 77 far 0 90 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 7264 from nnoeabs.peaks (0.88, 8.89, 126.14 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 76 + H ASP 77 OK 100 100 100 100 1.9-2.3 3432=93, 3.2/7262=64...(22) QD1 LEU 2 - H ASP 77 far 0 100 0 - 6.8-8.6 QD1 LEU 103 - H ASP 77 far 0 93 0 - 8.4-15.2 QD1 LEU 38 - H ASP 77 far 0 88 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 7265 from nnoeabs.peaks (1.09, 8.89, 126.14 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + H ASP 77 OK 100 100 100 100 4.8-5.2 3.2/7264=85, 3.8/7262=84...(10) Violated in 5 structures by 0.01 A. Peak 7266 from nnoeabs.peaks (1.44, 8.89, 126.14 ppm; 4.57 A): 4 out of 6 assignments used, quality = 1.00: * HG13 ILE 76 + H ASP 77 OK 100 100 100 100 4.3-4.6 3.2/7264=74, 3.8/7262=74...(12) QB ALA 71 + H ASP 77 OK 77 84 100 91 5.2-6.0 9683/7273=38...(9) HD2 LYS 53 + H ASP 77 OK 42 88 65 73 4.7-7.0 5.3/9671=33, 9675/3.0=24...(8) HG13 ILE 52 + H ASP 77 OK 40 91 65 68 3.8-8.0 2.1/10897=28...(11) HG2 LYS 53 - H ASP 77 far 12 82 15 - 5.2-8.5 HG3 LYS 53 - H ASP 77 far 0 73 0 - 7.0-8.7 Violated in 0 structures by 0.00 A. Peak 7267 from nnoeabs.peaks (0.80, 8.89, 126.14 ppm; 4.97 A): 3 out of 8 assignments used, quality = 1.00: * QD1 ILE 76 + H ASP 77 OK 100 100 100 100 4.6-5.0 3456=88, 3452/3432=83...(14) QG2 ILE 52 + H ASP 77 OK 70 90 95 82 2.6-6.5 3.1/10897=30...(11) QD2 LEU 42 + H ASP 77 OK 33 70 70 67 5.6-7.8 3423/7263=30...(8) QG1 VAL 54 - H ASP 77 poor 15 59 40 61 6.0-7.1 4.0/11106=18, ~9235=15...(9) QD2 LEU 2 - H ASP 77 far 5 99 5 - 6.3-9.8 QD2 LEU 103 - H ASP 77 far 0 84 0 - 6.6-14.0 QD1 LEU 6 - H ASP 77 far 0 77 0 - 8.7-11.7 QD2 LEU 38 - H ASP 77 far 0 90 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 7268 from nnoeabs.peaks (4.57, 8.89, 126.14 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 77 + H ASP 77 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7269 from nnoeabs.peaks (3.21, 8.89, 126.14 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.99: * HB2 ASP 77 + H ASP 77 OK 99 100 100 99 2.4-3.6 3462=89, 1.8/7270=73...(11) HD3 ARG 46 - H ASP 77 far 0 96 0 - 7.1-9.3 Violated in 4 structures by 0.01 A. Peak 7270 from nnoeabs.peaks (2.63, 8.89, 126.14 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + H ASP 77 OK 100 100 100 100 2.1-3.5 3467=99, 1.8/7269=72...(12) HG3 MET 74 - H ASP 77 far 0 98 0 - 5.9-8.7 Violated in 1 structures by 0.00 A. Peak 7271 from nnoeabs.peaks (7.75, 8.89, 126.14 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + H ASP 77 OK 100 100 100 100 3.8-4.1 4.6=100 H SER 49 - H ASP 77 poor 19 79 55 43 5.4-8.5 9626/7264=21...(4) H MET 74 - H ASP 77 far 0 99 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 7272 from nnoeabs.peaks (7.75, 7.75, 122.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + H VAL 78 OK 100 100 - 100 Peak 7273 from nnoeabs.peaks (8.89, 7.75, 122.84 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + H VAL 78 OK 100 100 100 100 3.8-4.1 4.6=94, 3.0/7274=93...(12) Violated in 0 structures by 0.00 A. Peak 7274 from nnoeabs.peaks (4.57, 7.75, 122.84 ppm; 2.74 A): 1 out of 1 assignment used, quality = 0.94: * HA ASP 77 + H VAL 78 OK 94 100 100 94 2.2-2.4 3461=80, 3.0/7276=25...(9) Violated in 0 structures by 0.00 A. Peak 7275 from nnoeabs.peaks (3.21, 7.75, 122.84 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 77 + H VAL 78 OK 100 100 100 100 4.1-4.7 4.4=100 HD3 ARG 46 - H VAL 78 far 0 96 0 - 9.0-11.1 Violated in 11 structures by 0.06 A. Peak 7276 from nnoeabs.peaks (2.63, 7.75, 122.84 ppm; 4.11 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ASP 77 + H VAL 78 OK 99 100 100 99 4.2-4.7 3.0/7274=84, 4.4=82...(10) HG3 MET 74 - H VAL 78 far 0 98 0 - 6.1-9.2 Violated in 20 structures by 0.40 A. Peak 7277 from nnoeabs.peaks (5.19, 7.75, 122.84 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 78 + H VAL 78 OK 100 100 100 100 2.9-2.9 3.0=100 HA VAL 54 - H VAL 78 far 0 71 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 7278 from nnoeabs.peaks (1.78, 7.75, 122.84 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.98: * HB VAL 78 + H VAL 78 OK 98 100 100 98 3.7-3.9 3478=73, 2.1/7279=41...(13) HB2 LEU 42 - H VAL 78 far 0 82 0 - 7.4-9.1 HG3 ARG 46 - H VAL 78 far 0 100 0 - 8.0-11.1 HB ILE 56 - H VAL 78 far 0 95 0 - 8.1-9.7 HB2 GLU 104 - H VAL 78 far 0 79 0 - 9.9-17.1 Violated in 20 structures by 0.34 A. Peak 7279 from nnoeabs.peaks (0.72, 7.75, 122.84 ppm; 2.99 A): 2 out of 10 assignments used, quality = 0.99: * QG2 VAL 78 + H VAL 78 OK 94 100 100 94 2.3-2.8 2.1/7278=50, 4.0=42...(19) QG1 VAL 78 + H VAL 78 OK 81 87 100 93 2.1-2.4 2.1/7278=50, 4.0=42...(18) QD1 ILE 56 - H VAL 78 far 0 97 0 - 4.8-8.3 QD1 LEU 42 - H VAL 78 far 0 71 0 - 5.5-7.1 QD1 ILE 52 - H VAL 78 far 0 82 0 - 5.9-8.5 HG13 ILE 56 - H VAL 78 far 0 100 0 - 6.8-9.5 QD2 LEU 6 - H VAL 78 far 0 68 0 - 8.2-9.6 QD1 LEU 64 - H VAL 78 far 0 92 0 - 9.2-9.8 QG1 VAL 5 - H VAL 78 far 0 100 0 - 9.9-10.9 QD1 ILE 8 - H VAL 78 far 0 98 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 7280 from nnoeabs.peaks (0.74, 7.75, 122.84 ppm; 3.08 A): 2 out of 11 assignments used, quality = 0.99: * QG1 VAL 78 + H VAL 78 OK 95 100 100 95 2.1-2.4 2.1/7278=53, 4.0=46...(17) QG2 VAL 78 + H VAL 78 OK 82 87 100 94 2.3-2.8 2.1/7278=53, 4.0=46...(17) QD2 LEU 42 - H VAL 78 far 0 91 0 - 4.7-6.8 QD1 ILE 56 - H VAL 78 far 0 61 0 - 4.8-8.3 QG2 ILE 52 - H VAL 78 far 0 71 0 - 5.1-9.0 QG1 VAL 54 - H VAL 78 far 0 96 0 - 5.3-6.9 HG13 ILE 56 - H VAL 78 far 0 75 0 - 6.8-9.5 QD1 LEU 6 - H VAL 78 far 0 85 0 - 7.5-10.6 QD1 LEU 64 - H VAL 78 far 0 100 0 - 9.2-9.8 QG1 VAL 5 - H VAL 78 far 0 93 0 - 9.9-10.9 QD1 ILE 8 - H VAL 78 far 0 65 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 7281 from nnoeabs.peaks (8.50, 7.75, 122.84 ppm; 4.50 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 79 + H VAL 78 OK 100 100 100 100 4.5-4.5 4.6=94, 7284/3.0=89...(10) H VAL 54 + H VAL 78 OK 98 99 100 99 4.6-5.1 11101/3.0=78...(13) H LYS 53 - H VAL 78 far 0 73 0 - 7.7-8.5 H ASN 51 - H VAL 78 far 0 68 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 7282 from nnoeabs.peaks (8.50, 8.50, 125.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 79 + H ARG 79 OK 100 100 - 100 Peak 7283 from nnoeabs.peaks (7.75, 8.50, 125.64 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + H ARG 79 OK 100 100 100 100 4.5-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 7284 from nnoeabs.peaks (5.19, 8.50, 125.64 ppm; 3.02 A): 1 out of 2 assignments used, quality = 0.91: * HA VAL 78 + H ARG 79 OK 91 100 100 91 2.4-2.5 3.6=61, 3.0/7285=24...(19) HA VAL 54 - H ARG 79 far 0 71 0 - 4.8-5.6 Violated in 0 structures by 0.00 A. Peak 7285 from nnoeabs.peaks (1.78, 8.50, 125.64 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.99: * HB VAL 78 + H ARG 79 OK 99 100 100 99 2.3-2.7 3.0/7284=67, 4.4=59...(20) HB ILE 56 + H ARG 79 OK 50 95 65 82 4.4-5.9 3.8/9697=37, 2.9/7291=16...(13) HB2 GLU 104 - H ARG 79 far 0 79 0 - 7.7-14.8 HB2 LEU 42 - H ARG 79 far 0 82 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 7286 from nnoeabs.peaks (0.72, 8.50, 125.64 ppm; 3.27 A): 4 out of 15 assignments used, quality = 1.00: * QG2 VAL 78 + H ARG 79 OK 96 100 100 96 2.3-2.9 3.2/7284=51, 4.3=45...(23) QG1 VAL 78 + H ARG 79 OK 81 87 100 94 3.8-4.0 3.2/7284=51, 4.3=45...(18) QD1 ILE 56 + H ARG 79 OK 70 97 95 76 2.1-5.8 5.0/9697=20, 2.1/7291=15...(21) HG13 ILE 56 + H ARG 79 OK 38 100 50 76 3.3-6.3 2585/9697=21...(17) QD1 LEU 42 - H ARG 79 far 0 71 0 - 5.7-7.4 QD2 LEU 6 - H ARG 79 far 0 68 0 - 6.2-7.5 QG1 VAL 5 - H ARG 79 far 0 100 0 - 6.4-7.5 QD1 LEU 64 - H ARG 79 far 0 92 0 - 6.8-7.4 QD1 ILE 52 - H ARG 79 far 0 82 0 - 7.2-9.2 QD1 ILE 8 - H ARG 79 far 0 98 0 - 7.2-8.8 HG3 ARG 81 - H ARG 79 far 0 94 0 - 7.3-8.4 QG1 VAL 58 - H ARG 79 far 0 100 0 - 7.6-8.3 QG2 ILE 93 - H ARG 79 far 0 79 0 - 8.7-10.1 QD2 LEU 27 - H ARG 79 far 0 99 0 - 9.0-9.9 HG13 ILE 93 - H ARG 79 far 0 90 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 7287 from nnoeabs.peaks (0.74, 8.50, 125.64 ppm; 3.30 A): 5 out of 18 assignments used, quality = 1.00: * QG1 VAL 78 + H ARG 79 OK 95 100 100 95 3.8-4.0 3.2/7284=53, 4.3=47...(20) QG2 VAL 78 + H ARG 79 OK 83 87 100 96 2.3-2.9 3.2/7284=53, 4.3=47...(22) QG1 VAL 54 + H ARG 79 OK 64 96 90 75 3.7-5.3 2.1/2487=25...(12) QD1 ILE 56 + H ARG 79 OK 43 61 95 74 2.1-5.8 5.0/9697=21, 2.1/7291=16...(19) HG13 ILE 56 + H ARG 79 OK 30 75 55 72 3.3-6.3 4.9/9697=22, 1.8/7291=17...(16) QD2 LEU 42 - H ARG 79 poor 10 91 40 26 4.2-6.5 1945/4.4=11, 1947/2487=6...(5) QD1 LEU 6 - H ARG 79 far 0 85 0 - 5.4-8.6 QG1 VAL 5 - H ARG 79 far 0 93 0 - 6.4-7.5 QD1 LEU 64 - H ARG 79 far 0 100 0 - 6.8-7.4 QG2 ILE 52 - H ARG 79 far 0 71 0 - 6.9-10.3 QD1 ILE 8 - H ARG 79 far 0 65 0 - 7.2-8.8 HG3 ARG 81 - H ARG 79 far 0 100 0 - 7.3-8.4 QG1 VAL 58 - H ARG 79 far 0 85 0 - 7.6-8.3 QD1 LEU 27 - H ARG 79 far 0 88 0 - 8.4-9.6 QG2 ILE 93 - H ARG 79 far 0 100 0 - 8.7-10.1 QD2 LEU 27 - H ARG 79 far 0 96 0 - 9.0-9.9 QD1 ILE 93 - H ARG 79 far 0 87 0 - 9.1-10.4 HG13 ILE 93 - H ARG 79 far 0 100 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 7288 from nnoeabs.peaks (4.71, 8.50, 125.64 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 79 + H ARG 79 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7289 from nnoeabs.peaks (1.60, 8.50, 125.64 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 79 + H ARG 79 OK 99 100 100 99 3.1-4.0 4.1=85, 7299/7297=43...(17) HG LEU 103 - H ARG 79 far 5 94 5 - 5.0-15.7 HB2 LEU 103 - H ARG 79 far 0 96 0 - 5.9-13.5 Violated in 2 structures by 0.01 A. Peak 7290 from nnoeabs.peaks (1.65, 8.50, 125.64 ppm; 3.88 A): 1 out of 8 assignments used, quality = 1.00: * HB3 ARG 79 + H ARG 79 OK 100 100 100 100 2.7-3.9 4.1=87, 9252/9692=41...(18) HB3 LYS 53 - H ARG 79 far 4 75 5 - 5.2-8.2 HB3 LEU 6 - H ARG 79 far 0 100 0 - 6.3-7.3 HD3 LYS 68 - H ARG 79 far 0 100 0 - 6.4-9.6 HG2 LYS 68 - H ARG 79 far 0 98 0 - 6.8-10.0 HB ILE 76 - H ARG 79 far 0 99 0 - 6.9-7.3 HD2 LYS 68 - H ARG 79 far 0 100 0 - 7.2-10.8 HB ILE 52 - H ARG 79 far 0 96 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 7291 from nnoeabs.peaks (1.53, 8.50, 125.64 ppm; 3.78 A): 3 out of 8 assignments used, quality = 1.00: HG3 ARG 79 + H ARG 79 OK 100 100 100 100 2.0-5.1 3.0/7289=56, 3.0/7290=55...(21) * HG2 ARG 79 + H ARG 79 OK 100 100 100 100 2.7-5.1 3.0/7289=56, 3.0/7290=55...(21) HG12 ILE 56 + H ARG 79 OK 84 100 90 93 2.8-5.7 2577/9697=32...(19) HD3 LYS 53 - H ARG 79 far 0 94 0 - 5.8-8.6 HG LEU 6 - H ARG 79 far 0 99 0 - 5.8-9.2 HB3 LEU 103 - H ARG 79 far 0 99 0 - 6.8-13.6 HG LEU 57 - H ARG 79 far 0 71 0 - 8.6-10.5 HB2 LEU 3 - H ARG 79 far 0 93 0 - 8.8-10.9 Violated in 8 structures by 0.10 A. Peak 7292 from nnoeabs.peaks (1.53, 8.50, 125.64 ppm; 3.78 A): 3 out of 8 assignments used, quality = 1.00: * HG3 ARG 79 + H ARG 79 OK 100 100 100 100 2.0-5.1 3.0/7289=56, 3.0/7290=55...(21) HG2 ARG 79 + H ARG 79 OK 100 100 100 100 2.7-5.1 3.0/7289=56, 3.0/7290=55...(21) HG12 ILE 56 + H ARG 79 OK 84 100 90 93 2.8-5.7 2577/9697=32...(19) HD3 LYS 53 - H ARG 79 far 0 95 0 - 5.8-8.6 HG LEU 6 - H ARG 79 far 0 99 0 - 5.8-9.2 HB3 LEU 103 - H ARG 79 far 0 98 0 - 6.8-13.6 HG LEU 57 - H ARG 79 far 0 70 0 - 8.6-10.5 HB2 LEU 3 - H ARG 79 far 0 94 0 - 8.8-10.9 Violated in 8 structures by 0.10 A. Peak 7293 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 79 + H ARG 79 OK 100 100 100 100 2.0-5.1 3.8/7289=52, 3.8/7290=52...(22) HD3 ARG 79 + H ARG 79 OK 100 100 100 100 1.9-5.4 3.8/7289=52, 3.8/7290=52...(21) HB3 HIS 105 - H ARG 79 far 0 100 0 - 7.3-18.3 HB2 PHE 96 - H ARG 79 far 0 82 0 - 8.2-9.3 HB2 TRP 92 - H ARG 79 far 0 79 0 - 8.7-10.9 HB3 HIS 106 - H ARG 79 far 0 94 0 - 9.8-19.2 Violated in 9 structures by 0.04 A. Peak 7294 from nnoeabs.peaks (3.07, 8.50, 125.64 ppm; 4.04 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 79 + H ARG 79 OK 100 100 100 100 2.0-5.1 3.8/7289=52, 3.8/7290=52...(22) * HD3 ARG 79 + H ARG 79 OK 100 100 100 100 1.9-5.4 3.8/7289=52, 3.8/7290=52...(21) HB3 HIS 105 - H ARG 79 far 0 99 0 - 7.3-18.3 HB2 PHE 96 - H ARG 79 far 0 85 0 - 8.2-9.3 HB2 TRP 92 - H ARG 79 far 0 82 0 - 8.7-10.9 HB3 HIS 106 - H ARG 79 far 0 92 0 - 9.8-19.2 Violated in 9 structures by 0.04 A. Peak 7295 from nnoeabs.peaks (8.42, 8.50, 125.64 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * H THR 80 + H ARG 79 OK 100 100 100 100 3.5-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 7296 from nnoeabs.peaks (8.42, 8.42, 118.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 80 + H THR 80 OK 100 100 - 100 Peak 7297 from nnoeabs.peaks (8.50, 8.42, 118.08 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 79 + H THR 80 OK 100 100 100 100 3.5-4.2 3.0/7298=83, 4.6=69...(15) H VAL 54 - H THR 80 far 0 99 0 - 7.1-8.3 H ALA 67 - H THR 80 far 0 93 0 - 7.5-8.8 Violated in 2 structures by 0.01 A. Peak 7298 from nnoeabs.peaks (4.71, 8.42, 118.08 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.90: * HA ARG 79 + H THR 80 OK 90 100 100 90 2.1-2.2 3.6=51, 3.0/7299=29...(14) HA LYS 82 - H THR 80 far 0 99 0 - 8.5-8.8 Violated in 0 structures by 0.00 A. Peak 7299 from nnoeabs.peaks (1.60, 8.42, 118.08 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.99: * HB2 ARG 79 + H THR 80 OK 99 100 100 99 3.3-4.4 3.0/7298=77, 4.6=64...(13) HG LEU 103 - H THR 80 far 9 94 10 - 3.5-17.6 HB2 LEU 103 - H THR 80 far 0 96 0 - 5.5-15.6 Violated in 18 structures by 0.24 A. Peak 7300 from nnoeabs.peaks (1.65, 8.42, 118.08 ppm; 3.76 A): 3 out of 7 assignments used, quality = 0.99: * HB3 ARG 79 + H THR 80 OK 98 100 100 98 3.3-4.6 3.0/7298=73, 4.6=56...(14) HG2 LYS 68 + H THR 80 OK 33 98 45 74 3.5-7.0 10256/7307=39...(5) HD3 LYS 68 + H THR 80 OK 32 100 50 64 3.0-6.1 3.0/10919=28...(5) HD2 LYS 68 - H THR 80 far 15 100 15 - 4.3-7.3 HB3 LEU 6 - H THR 80 far 0 100 0 - 8.1-8.7 HB ILE 76 - H THR 80 far 0 99 0 - 8.7-10.0 HB3 LYS 53 - H THR 80 far 0 75 0 - 8.7-12.1 Violated in 9 structures by 0.18 A. Peak 7301 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 3.80 A): 3 out of 7 assignments used, quality = 0.98: HG3 ARG 79 + H THR 80 OK 83 100 85 98 3.5-5.8 3.0/7299=55, 4.1/7298=54...(16) * HG2 ARG 79 + H THR 80 OK 78 100 80 98 3.1-5.7 3.0/7299=55, 4.1/7298=54...(16) HG12 ILE 56 + H THR 80 OK 52 100 55 95 4.0-6.2 12206/7307=49, ~10293=25...(16) HB3 LEU 103 - H THR 80 far 0 99 0 - 5.4-15.3 HG LEU 6 - H THR 80 far 0 99 0 - 8.3-11.3 HD3 LYS 53 - H THR 80 far 0 94 0 - 8.8-11.9 HG LEU 57 - H THR 80 far 0 71 0 - 9.3-10.8 Violated in 5 structures by 0.04 A. Peak 7302 from nnoeabs.peaks (1.53, 8.42, 118.08 ppm; 3.80 A): 3 out of 7 assignments used, quality = 0.98: * HG3 ARG 79 + H THR 80 OK 83 100 85 98 3.5-5.8 3.0/7299=55, 4.1/7298=54...(16) HG2 ARG 79 + H THR 80 OK 78 100 80 98 3.1-5.7 3.0/7299=55, 4.1/7298=54...(16) HG12 ILE 56 + H THR 80 OK 52 100 55 95 4.0-6.2 12206/7307=49, ~10293=25...(16) HB3 LEU 103 - H THR 80 far 0 98 0 - 5.4-15.3 HG LEU 6 - H THR 80 far 0 99 0 - 8.3-11.3 HD3 LYS 53 - H THR 80 far 0 95 0 - 8.8-11.9 HG LEU 57 - H THR 80 far 0 70 0 - 9.3-10.8 Violated in 5 structures by 0.04 A. Peak 7303 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 4.82 A): 2 out of 5 assignments used, quality = 1.00: * HD2 ARG 79 + H THR 80 OK 99 100 100 99 3.5-6.2 3.8/7299=70, 5.3/7298=58...(14) HD3 ARG 79 + H THR 80 OK 94 100 95 99 3.5-6.6 3.8/7299=70, 5.3/7298=58...(14) HB3 HIS 105 - H THR 80 far 10 100 10 - 4.2-17.7 HB3 HIS 106 - H THR 80 far 0 94 0 - 7.2-18.1 HB2 TRP 92 - H THR 80 far 0 79 0 - 9.5-11.2 Violated in 1 structures by 0.02 A. Peak 7304 from nnoeabs.peaks (3.07, 8.42, 118.08 ppm; 4.82 A): 2 out of 5 assignments used, quality = 1.00: HD2 ARG 79 + H THR 80 OK 99 100 100 99 3.5-6.2 3.8/7299=70, 5.3/7298=58...(14) * HD3 ARG 79 + H THR 80 OK 94 100 95 99 3.5-6.6 3.8/7299=70, 5.3/7298=58...(14) HB3 HIS 105 - H THR 80 far 10 99 10 - 4.2-17.7 HB3 HIS 106 - H THR 80 far 0 92 0 - 7.2-18.1 HB2 TRP 92 - H THR 80 far 0 82 0 - 9.5-11.2 Violated in 1 structures by 0.02 A. Peak 7305 from nnoeabs.peaks (5.33, 8.42, 118.08 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 80 + H THR 80 OK 100 100 100 100 2.9-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 7306 from nnoeabs.peaks (3.68, 8.42, 118.08 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.98: * HB THR 80 + H THR 80 OK 98 100 100 98 3.0-3.6 3564=79, 2.1/7307=62...(13) Violated in 8 structures by 0.02 A. Peak 7307 from nnoeabs.peaks (0.98, 8.42, 118.08 ppm; 3.70 A): 1 out of 5 assignments used, quality = 0.99: * QG2 THR 80 + H THR 80 OK 99 100 100 99 2.6-3.6 4.0=79, 2.1/7306=73...(20) HG LEU 55 - H THR 80 far 0 96 0 - 6.4-7.3 QG1 VAL 83 - H THR 80 far 0 77 0 - 8.5-9.1 QG2 VAL 5 - H THR 80 far 0 70 0 - 8.8-10.1 QG2 VAL 83 - H THR 80 far 0 95 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 7308 from nnoeabs.peaks (8.76, 8.42, 118.08 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 81 + H THR 80 OK 100 100 100 100 4.5-4.6 4.6=96, 7311/2.9=92...(17) H LYS 82 - H THR 80 far 0 63 0 - 6.9-7.5 Violated in 14 structures by 0.02 A. Peak 7309 from nnoeabs.peaks (8.76, 8.76, 122.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 81 + H ARG 81 OK 100 100 - 100 Peak 7310 from nnoeabs.peaks (8.42, 8.76, 122.84 ppm; 4.75 A): 1 out of 2 assignments used, quality = 1.00: * H THR 80 + H ARG 81 OK 100 100 100 100 4.5-4.6 4.6=100 H GLU 63 - H ARG 81 far 0 73 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 7311 from nnoeabs.peaks (5.33, 8.76, 122.84 ppm; 2.89 A): 1 out of 1 assignment used, quality = 0.98: * HA THR 80 + H ARG 81 OK 98 100 100 98 2.1-2.4 3563=78, 3.2/3573=32...(21) Violated in 0 structures by 0.00 A. Peak 7312 from nnoeabs.peaks (3.68, 8.76, 122.84 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 80 + H ARG 81 OK 100 100 100 100 2.4-3.6 3.0/7311=77, 2.1/3573=77...(22) HA GLU 88 - H ARG 81 far 0 92 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 7313 from nnoeabs.peaks (0.98, 8.76, 122.84 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * QG2 THR 80 + H ARG 81 OK 100 100 100 100 2.3-3.7 3573=79, 3.2/7311=57...(24) HG LEU 55 + H ARG 81 OK 33 96 40 85 4.3-5.4 2.1/9280=39...(17) QG1 VAL 83 - H ARG 81 far 4 77 5 - 4.9-5.5 QG2 VAL 83 - H ARG 81 far 0 95 0 - 5.2-5.7 QG2 VAL 5 - H ARG 81 far 0 70 0 - 7.5-9.3 Violated in 4 structures by 0.02 A. Peak 7314 from nnoeabs.peaks (4.36, 8.76, 122.84 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 81 + H ARG 81 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASP 61 - H ARG 81 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 7315 from nnoeabs.peaks (0.93, 8.76, 122.84 ppm; 3.57 A): 2 out of 5 assignments used, quality = 1.00: * HB2 ARG 81 + H ARG 81 OK 99 100 100 99 3.4-3.9 4.0=71, 1.8/7316=66...(19) HG LEU 55 + H ARG 81 OK 34 73 55 85 4.3-5.4 2.1/9280=44...(17) QG2 VAL 83 - H ARG 81 far 0 75 0 - 5.2-5.7 QG2 VAL 5 - H ARG 81 far 0 97 0 - 7.5-9.3 QG1 VAL 32 - H ARG 81 far 0 84 0 - 8.9-10.1 Violated in 11 structures by 0.05 A. Peak 7316 from nnoeabs.peaks (1.06, 8.76, 122.84 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + H ARG 81 OK 100 100 100 100 2.5-2.9 4.0=88, 1.8/7315=60...(23) HG2 LYS 82 - H ARG 81 far 0 100 0 - 5.9-7.3 HB3 LEU 55 - H ARG 81 far 0 77 0 - 6.4-7.8 Violated in 0 structures by 0.00 A. Peak 7317 from nnoeabs.peaks (0.43, 8.76, 122.84 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + H ARG 81 OK 100 100 100 100 3.5-5.0 2.9/7316=61, 4.9=51...(22) QD1 LEU 55 + H ARG 81 OK 99 99 100 100 3.1-4.9 9280=62, 9258/7311=47...(27) Violated in 0 structures by 0.00 A. Peak 7318 from nnoeabs.peaks (0.74, 8.76, 122.84 ppm; 3.64 A): 4 out of 16 assignments used, quality = 1.00: QD1 LEU 64 + H ARG 81 OK 99 100 100 99 2.6-3.5 10762/3573=53...(29) * HG3 ARG 81 + H ARG 81 OK 99 100 100 99 4.5-5.1 2.9/7316=53, 2.9/7315=43...(15) QG1 VAL 58 + H ARG 81 OK 84 93 100 90 3.2-4.5 4.0/10926=38...(23) QD1 ILE 56 + H ARG 81 OK 37 73 60 84 3.5-5.7 3.0/9735=40...(15) HG13 ILE 56 - H ARG 81 poor 18 85 25 86 4.7-6.1 3.2/9735=39...(13) QD1 ILE 8 - H ARG 81 far 8 77 10 - 5.0-6.6 QG2 VAL 78 - H ARG 81 far 0 94 0 - 5.8-6.7 QG1 VAL 5 - H ARG 81 far 0 98 0 - 6.0-7.3 QG1 VAL 54 - H ARG 81 far 0 90 0 - 6.9-8.6 QD1 LEU 6 - H ARG 81 far 0 75 0 - 6.9-8.9 QD2 LEU 42 - H ARG 81 far 0 82 0 - 7.4-8.7 QD1 ILE 93 - H ARG 81 far 0 77 0 - 8.0-9.3 QG1 VAL 78 - H ARG 81 far 0 100 0 - 8.0-8.9 HG13 ILE 93 - H ARG 81 far 0 100 0 - 8.2-10.2 QD2 LEU 14 - H ARG 81 far 0 75 0 - 8.3-9.1 QG2 ILE 93 - H ARG 81 far 0 99 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 7319 from nnoeabs.peaks (1.73, 8.76, 122.84 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + H ARG 81 OK 100 100 100 100 4.2-4.6 3620/3.0=64, 3.4/7316=63...(15) HB ILE 56 + H ARG 81 OK 61 61 100 99 2.4-3.8 2.1/9735=63...(19) HB3 LYS 82 - H ARG 81 far 0 59 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 7322 from nnoeabs.peaks (8.72, 8.72, 124.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 82 + H LYS 82 OK 100 100 - 100 Peak 7324 from nnoeabs.peaks (4.36, 8.72, 124.67 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.91: * HA ARG 81 + H LYS 82 OK 91 100 100 91 2.1-2.2 3.6=50, 3.0/7325=23...(17) HA ASP 61 - H LYS 82 far 0 100 0 - 5.9-6.8 Violated in 0 structures by 0.00 A. Peak 7325 from nnoeabs.peaks (0.93, 8.72, 124.67 ppm; 3.72 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ARG 81 + H LYS 82 OK 99 100 100 99 3.2-3.9 3.0/7324=72, 4.3=66...(14) QG2 VAL 83 + H LYS 82 OK 41 75 65 84 5.0-5.5 4.0/7340=35, 9785/3.0=32...(14) HG LEU 55 - H LYS 82 far 0 73 0 - 7.4-8.9 Violated in 2 structures by 0.01 A. Peak 7326 from nnoeabs.peaks (1.06, 8.72, 124.67 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: HG2 LYS 82 + H LYS 82 OK 100 100 100 100 3.9-4.6 2.9/7332=66, 1.8/7335=60...(19) * HB3 ARG 81 + H LYS 82 OK 100 100 100 100 4.2-4.6 3.0/7324=74, 4.3=69...(16) HB3 LEU 55 - H LYS 82 far 0 77 0 - 9.7-11.1 Violated in 17 structures by 0.13 A. Peak 7327 from nnoeabs.peaks (0.43, 8.72, 124.67 ppm; 4.74 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + H LYS 82 OK 100 100 100 100 3.3-5.0 4.8=97, 3.9/7324=81...(13) QD1 LEU 55 + H LYS 82 OK 29 99 30 96 5.7-7.2 9280/4.7=49...(11) Violated in 7 structures by 0.03 A. Peak 7328 from nnoeabs.peaks (0.74, 8.72, 124.67 ppm; 3.46 A): 1 out of 10 assignments used, quality = 0.98: QD1 LEU 64 + H LYS 82 OK 98 100 100 98 1.9-3.2 10248=37, 10254/7332=36...(22) ! HG3 ARG 81 - H LYS 82 poor 19 100 20 96 4.8-5.4 3.9/7324=47, 4.8=38...(10) QG1 VAL 58 - H LYS 82 far 0 93 0 - 5.0-5.7 QD1 ILE 56 - H LYS 82 far 0 73 0 - 6.8-9.2 QD1 ILE 8 - H LYS 82 far 0 77 0 - 7.3-8.4 HG13 ILE 56 - H LYS 82 far 0 85 0 - 8.4-10.1 QG2 VAL 78 - H LYS 82 far 0 94 0 - 8.7-9.3 QG1 VAL 5 - H LYS 82 far 0 98 0 - 8.7-9.8 QD2 LEU 14 - H LYS 82 far 0 75 0 - 9.1-9.7 QD1 ILE 93 - H LYS 82 far 0 77 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7329 from nnoeabs.peaks (1.73, 8.72, 124.67 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.97: * HD2 ARG 81 + H LYS 82 OK 92 100 100 92 2.4-3.6 3620/7324=41...(11) HB3 LYS 82 + H LYS 82 OK 59 59 100 99 2.4-3.1 1.8/7332=71, 4.0=59...(16) HB ILE 56 - H LYS 82 far 0 61 0 - 6.2-7.7 Violated in 0 structures by 0.00 A. Peak 7330 from nnoeabs.peaks (2.31, 8.72, 124.67 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + H LYS 82 OK 100 100 100 100 2.6-4.8 3629/7324=79...(14) HG2 GLU 63 - H LYS 82 far 0 98 0 - 8.4-10.1 Violated in 5 structures by 0.04 A. Peak 7331 from nnoeabs.peaks (4.70, 8.72, 124.67 ppm; 3.84 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 82 + H LYS 82 OK 100 100 100 100 2.9-2.9 3.0=100 HA ARG 79 - H LYS 82 far 0 99 0 - 8.4-9.0 HA LEU 55 - H LYS 82 far 0 75 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 7332 from nnoeabs.peaks (1.34, 8.72, 124.67 ppm; 3.33 A): 1 out of 5 assignments used, quality = 0.99: * HB2 LYS 82 + H LYS 82 OK 99 100 100 99 2.1-2.7 3648=64, 1.8/3659=59...(18) HG3 LYS 68 - H LYS 82 far 0 100 0 - 7.0-10.7 QB ALA 67 - H LYS 82 far 0 100 0 - 7.6-8.3 QB ALA 89 - H LYS 82 far 0 100 0 - 7.7-8.9 HG12 ILE 8 - H LYS 82 far 0 92 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 7333 from nnoeabs.peaks (1.76, 8.72, 124.67 ppm; 3.16 A): 2 out of 4 assignments used, quality = 0.99: * HB3 LYS 82 + H LYS 82 OK 99 100 100 99 2.4-3.1 1.8/7332=64, 3659=60...(16) HD2 ARG 81 + H LYS 82 OK 49 59 100 82 2.4-3.6 1.8/7330=33, 3.4/7325=26...(10) HB ILE 56 - H LYS 82 far 0 100 0 - 6.2-7.7 HB3 GLU 63 - H LYS 82 far 0 97 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 7334 from nnoeabs.peaks (1.06, 8.72, 124.67 ppm; 3.78 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + H LYS 82 OK 100 100 100 100 3.9-4.6 2.9/7332=66, 1.8/7335=60...(19) HB3 ARG 81 + H LYS 82 OK 99 100 100 100 4.2-4.6 3.0/7324=74, 4.3=69...(16) HB3 LEU 55 - H LYS 82 far 0 68 0 - 9.7-11.1 Violated in 17 structures by 0.13 A. Peak 7335 from nnoeabs.peaks (1.14, 8.72, 124.67 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + H LYS 82 OK 100 100 100 100 4.4-4.7 2.9/7332=80, 2.9/3659=73...(14) Violated in 20 structures by 0.25 A. Peak 7336 from nnoeabs.peaks (1.46, 8.72, 124.67 ppm; 4.45 A): 3 out of 4 assignments used, quality = 1.00: * HD2 LYS 82 + H LYS 82 OK 100 100 100 100 4.5-5.2 3.5/7332=74, 3.5/3659=67...(18) HG LEU 64 + H LYS 82 OK 79 91 90 97 4.8-6.0 2.1/7328=77...(10) HB3 LEU 64 + H LYS 82 OK 74 75 100 98 3.3-4.4 3.1/7328=65...(18) HG12 ILE 7 - H LYS 82 far 0 68 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 7337 from nnoeabs.peaks (1.57, 8.72, 124.67 ppm; 5.40 A): 1 out of 7 assignments used, quality = 1.00: * HD3 LYS 82 + H LYS 82 OK 100 100 100 100 5.7-5.9 3.5/7332=92, 2.9/7335=87...(16) HG LEU 103 - H LYS 82 poor 19 96 20 - 6.5-19.8 HG2 ARG 79 - H LYS 82 far 4 73 5 - 6.8-10.6 HG3 ARG 79 - H LYS 82 far 0 75 0 - 7.4-10.3 HB2 LEU 103 - H LYS 82 far 0 93 0 - 7.7-18.4 HG12 ILE 56 - H LYS 82 far 0 68 0 - 7.9-10.1 HB2 ARG 79 - H LYS 82 far 0 70 0 - 7.9-9.7 Violated in 20 structures by 0.42 A. Peak 7340 from nnoeabs.peaks (9.11, 8.72, 124.67 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.99: * H VAL 83 + H LYS 82 OK 99 100 100 99 4.5-4.6 4.5=99 Violated in 16 structures by 0.06 A. Peak 7341 from nnoeabs.peaks (9.11, 9.11, 122.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + H VAL 83 OK 100 100 - 100 Peak 7342 from nnoeabs.peaks (8.72, 9.11, 122.38 ppm; 4.77 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + H VAL 83 OK 100 100 100 100 4.5-4.6 4.5=100 H ARG 81 + H VAL 83 OK 54 63 90 94 5.8-6.4 4.7/7340=51...(13) Violated in 0 structures by 0.00 A. Peak 7343 from nnoeabs.peaks (4.70, 9.11, 122.38 ppm; 2.97 A): 1 out of 1 assignment used, quality = 0.99: * HA LYS 82 + H VAL 83 OK 99 100 100 99 2.1-2.2 3647=72, 9785/7354=28...(18) Violated in 0 structures by 0.00 A. Peak 7344 from nnoeabs.peaks (1.34, 9.11, 122.38 ppm; 4.17 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 82 + H VAL 83 OK 100 100 100 100 4.2-4.5 3.0/7343=81, 4.6=73...(20) QB ALA 89 + H VAL 83 OK 34 100 35 97 5.3-6.3 9931/7354=73...(9) HG12 ILE 8 - H VAL 83 far 0 92 0 - 7.5-9.4 HG LEU 14 - H VAL 83 far 0 100 0 - 7.6-8.5 QB ALA 67 - H VAL 83 far 0 100 0 - 8.1-9.2 Violated in 15 structures by 0.05 A. Peak 7345 from nnoeabs.peaks (1.76, 9.11, 122.38 ppm; 4.34 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 82 + H VAL 83 OK 100 100 100 100 3.5-4.3 3.0/7343=85, 4.6=82...(16) HD2 ARG 81 - H VAL 83 far 0 59 0 - 6.1-7.8 HB3 GLU 63 - H VAL 83 far 0 97 0 - 6.2-8.8 HB ILE 56 - H VAL 83 far 0 100 0 - 7.3-9.1 Violated in 0 structures by 0.00 A. Peak 7346 from nnoeabs.peaks (1.06, 9.11, 122.38 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + H VAL 83 OK 100 100 100 100 2.9-4.0 1.8/7347=69, 3680=62...(19) HB3 ARG 81 - H VAL 83 far 0 100 0 - 6.0-7.0 Violated in 7 structures by 0.09 A. Peak 7347 from nnoeabs.peaks (1.14, 9.11, 122.38 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 82 + H VAL 83 OK 100 100 100 100 2.5-3.8 1.8/7346=78, 3691=69...(16) QG2 THR 31 - H VAL 83 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 7348 from nnoeabs.peaks (1.46, 9.11, 122.38 ppm; 5.15 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 82 + H VAL 83 OK 100 100 100 100 4.4-5.5 2.9/7346=91, 2.9/7347=90...(17) HB3 LEU 64 + H VAL 83 OK 73 75 100 97 4.8-5.8 3.1/9802=48, 3.1/9801=33...(14) HG12 ILE 7 - H VAL 83 poor 11 68 50 32 6.4-7.8 2.1/10380=23...(5) HG LEU 64 - H VAL 83 far 0 91 0 - 7.5-8.6 Violated in 0 structures by 0.00 A. Peak 7349 from nnoeabs.peaks (1.57, 9.11, 122.38 ppm; 5.33 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 82 + H VAL 83 OK 100 100 100 100 4.9-5.5 3713=98, 2.9/7346=94...(15) HG LEU 103 - H VAL 83 far 0 96 0 - 9.4-22.3 HG12 ILE 56 - H VAL 83 far 0 68 0 - 9.5-11.1 HB2 LEU 103 - H VAL 83 far 0 93 0 - 9.8-21.2 Violated in 4 structures by 0.02 A. Peak 7352 from nnoeabs.peaks (4.80, 9.11, 122.38 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 83 + H VAL 83 OK 100 100 100 100 2.9-2.9 3.0=100 HA ASN 60 - H VAL 83 far 0 96 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 7353 from nnoeabs.peaks (2.11, 9.11, 122.38 ppm; 3.92 A): 1 out of 4 assignments used, quality = 1.00: * HB VAL 83 + H VAL 83 OK 100 100 100 100 3.7-3.9 4.0=97, 2.1/7354=86...(10) HB3 GLU 88 - H VAL 83 poor 17 68 25 - 5.3-5.6 HB2 LEU 64 - H VAL 83 far 5 100 5 - 5.4-7.3 HG2 GLU 88 - H VAL 83 far 0 79 0 - 6.2-8.0 Violated in 3 structures by 0.00 A. Peak 7354 from nnoeabs.peaks (0.96, 9.11, 122.38 ppm; 3.16 A): 1 out of 4 assignments used, quality = 0.99: * QG2 VAL 83 + H VAL 83 OK 99 100 100 99 2.0-2.4 3748=88, 2.1/3754=46...(20) HB2 ARG 81 - H VAL 83 far 0 75 0 - 5.1-5.9 QG2 THR 80 - H VAL 83 far 0 95 0 - 6.5-7.9 HG LEU 55 - H VAL 83 far 0 100 0 - 7.9-9.5 Violated in 0 structures by 0.00 A. Peak 7355 from nnoeabs.peaks (1.01, 9.11, 122.38 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 83 + H VAL 83 OK 100 100 100 100 3.0-3.3 3754=73, 2.1/3748=72...(17) QG2 THR 80 - H VAL 83 far 0 77 0 - 6.5-7.9 Violated in 0 structures by 0.00 A. Peak 7356 from nnoeabs.peaks (9.20, 9.11, 122.38 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + H VAL 83 OK 100 100 100 100 4.2-4.5 4.6=100 H ILE 56 - H VAL 83 far 0 98 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 7357 from nnoeabs.peaks (9.20, 9.20, 113.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 84 + H THR 84 OK 100 100 - 100 Peak 7358 from nnoeabs.peaks (9.11, 9.20, 113.18 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + H THR 84 OK 100 100 100 100 4.2-4.5 4.6=96, 3.0/7359=91...(9) Violated in 0 structures by 0.00 A. Peak 7359 from nnoeabs.peaks (4.80, 9.20, 113.18 ppm; 2.84 A): 1 out of 2 assignments used, quality = 0.93: * HA VAL 83 + H THR 84 OK 93 100 100 93 2.2-2.6 3.6=51, 3.2/7361=30...(12) HA ASN 60 - H THR 84 far 0 96 0 - 7.3-8.7 Violated in 0 structures by 0.00 A. Peak 7360 from nnoeabs.peaks (2.11, 9.20, 113.18 ppm; 3.61 A): 3 out of 6 assignments used, quality = 1.00: * HB VAL 83 + H THR 84 OK 100 100 100 100 1.9-3.1 3747=69, 3.0/7359=68...(16) HB3 GLU 88 + H THR 84 OK 63 68 100 94 2.9-4.0 1.8/9831=36, 3.0/9921=30...(13) HG2 GLU 88 + H THR 84 OK 63 79 90 89 4.2-5.3 1.8/9832=32, 3.0/9920=32...(10) HB2 PRO 86 - H THR 84 far 0 100 0 - 8.2-9.1 HB3 PRO 86 - H THR 84 far 0 99 0 - 8.6-9.4 HB2 LEU 64 - H THR 84 far 0 100 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 7361 from nnoeabs.peaks (0.96, 9.20, 113.18 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * QG2 VAL 83 + H THR 84 OK 100 100 100 100 3.3-4.0 4.0=83, 3.2/7359=70...(16) HB2 ARG 81 - H THR 84 far 0 75 0 - 7.6-8.1 Violated in 16 structures by 0.13 A. Peak 7362 from nnoeabs.peaks (1.01, 9.20, 113.18 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.99: * QG1 VAL 83 + H THR 84 OK 99 100 100 99 3.3-3.8 4.0=99 Violated in 0 structures by 0.00 A. Peak 7363 from nnoeabs.peaks (4.58, 9.20, 113.18 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 84 + H THR 84 OK 100 100 100 100 2.9-2.9 3.0=100 HA HIS 105 - H THR 84 far 0 97 0 - 8.8-22.4 Violated in 0 structures by 0.00 A. Peak 7364 from nnoeabs.peaks (4.44, 9.20, 113.18 ppm; 4.21 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 84 + H THR 84 OK 100 100 100 100 3.0-3.8 4.0=100 HA SER 9 - H THR 84 far 0 99 0 - 8.7-10.2 HA HIS 106 - H THR 84 far 0 71 0 - 9.1-23.9 Violated in 0 structures by 0.00 A. Peak 7365 from nnoeabs.peaks (1.24, 9.20, 113.18 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.98: * QG2 THR 84 + H THR 84 OK 98 100 100 98 1.9-3.2 3770=77, 3763/3.0=62...(11) QB ALA 18 - H THR 84 far 0 96 0 - 8.2-9.6 Violated in 0 structures by 0.00 A. Peak 7366 from nnoeabs.peaks (7.69, 9.20, 113.18 ppm; 3.05 A): 1 out of 1 assignment used, quality = 0.98: * H SER 85 + H THR 84 OK 98 100 100 98 1.8-2.7 7368=72, 4.3/7365=27...(14) Violated in 0 structures by 0.00 A. Peak 7367 from nnoeabs.peaks (7.69, 7.69, 115.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 85 + H SER 85 OK 100 100 - 100 Peak 7368 from nnoeabs.peaks (9.20, 7.69, 115.56 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * H THR 84 + H SER 85 OK 100 100 100 100 1.8-2.7 7366=100, 7365/4.3=35...(15) Violated in 0 structures by 0.00 A. Peak 7369 from nnoeabs.peaks (4.58, 7.69, 115.56 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 84 + H SER 85 OK 100 100 100 100 3.0-3.5 3.6=100 HA ASP 11 - H SER 85 far 0 95 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 7370 from nnoeabs.peaks (4.44, 7.69, 115.56 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 84 + H SER 85 OK 100 100 100 100 4.1-4.5 4.7=100 HA SER 9 - H SER 85 far 0 99 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 7371 from nnoeabs.peaks (1.24, 7.69, 115.56 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 84 + H SER 85 OK 100 100 100 100 1.9-4.4 4.3=100 QB ALA 18 - H SER 85 far 0 96 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 7372 from nnoeabs.peaks (5.14, 7.69, 115.56 ppm; 4.09 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 85 + H SER 85 OK 100 100 100 100 2.8-2.9 3.0=100 HA ILE 7 - H SER 85 far 0 100 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 7373 from nnoeabs.peaks (3.90, 7.69, 115.56 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 85 + H SER 85 OK 100 100 100 100 2.3-3.6 4.0=100 HA ALA 89 - H SER 85 far 0 100 0 - 6.2-7.0 HB3 SER 9 - H SER 85 far 0 88 0 - 6.5-8.3 Violated in 0 structures by 0.00 A. Peak 7374 from nnoeabs.peaks (4.19, 7.69, 115.56 ppm; 4.82 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 85 + H SER 85 OK 100 100 100 100 3.4-4.0 4.0=100 HB2 SER 59 - H SER 85 far 4 73 5 - 6.2-8.0 HA ASP 87 - H SER 85 far 0 71 0 - 7.2-7.5 Violated in 0 structures by 0.00 A. Peak 7375 from nnoeabs.peaks (8.13, 8.13, 115.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 87 + H ASP 87 OK 100 100 - 100 Peak 7376 from nnoeabs.peaks (4.09, 8.13, 115.38 ppm; 4.14 A): 1 out of 2 assignments used, quality = 1.00: * HA PRO 86 + H ASP 87 OK 100 100 100 100 3.6-3.6 3.5=100 HA GLU 17 - H ASP 87 far 0 63 0 - 7.5-9.5 Violated in 0 structures by 0.00 A. Peak 7377 from nnoeabs.peaks (2.12, 8.13, 115.38 ppm; 3.43 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 86 + H ASP 87 OK 96 100 100 96 3.9-4.0 3.9=66, 2.3/7380=45...(20) HB3 PRO 86 + H ASP 87 OK 93 96 100 97 2.9-3.1 3.9=66, 2.3/7380=45...(24) HG2 GLU 88 + H ASP 87 OK 57 90 90 71 4.5-7.4 3886/7386=35...(11) HB VAL 83 - H ASP 87 far 0 100 0 - 6.2-6.6 QE MET 21 - H ASP 87 far 0 91 0 - 8.3-9.5 HG3 GLU 104 - H ASP 87 far 0 90 0 - 9.2-24.0 Violated in 0 structures by 0.00 A. Peak 7378 from nnoeabs.peaks (2.10, 8.13, 115.38 ppm; 3.48 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 86 + H ASP 87 OK 97 100 100 97 2.9-3.1 3.9=69, 2.3/7380=47...(24) HB2 PRO 86 + H ASP 87 OK 93 96 100 97 3.9-4.0 3.9=69, 2.3/7380=47...(20) HG2 GLU 88 + H ASP 87 OK 38 63 90 67 4.5-7.4 4.9/7386=29, 3.0/9901=14...(11) HB3 GLU 88 - H ASP 87 far 0 82 0 - 5.2-5.7 HB VAL 83 - H ASP 87 far 0 99 0 - 6.2-6.6 QE MET 21 - H ASP 87 far 0 100 0 - 8.3-9.5 HG3 GLU 104 - H ASP 87 far 0 100 0 - 9.2-24.0 HB2 GLU 16 - H ASP 87 far 0 79 0 - 9.5-11.8 Violated in 0 structures by 0.00 A. Peak 7379 from nnoeabs.peaks (1.69, 8.13, 115.38 ppm; 4.83 A): 4 out of 8 assignments used, quality = 1.00: HD3 LYS 90 + H ASP 87 OK 100 100 100 100 3.0-5.5 7422/10963=57, ~10316=48...(30) * HG2 PRO 86 + H ASP 87 OK 100 100 100 100 3.5-3.7 1.8/7380=91, 2.3/7382=47...(14) HD2 LYS 13 + H ASP 87 OK 33 99 50 66 5.6-10.4 3810/3.5=16...(12) HD3 LYS 13 + H ASP 87 OK 22 99 35 63 5.5-10.1 3810/3.5=16...(12) HB3 ARG 91 - H ASP 87 far 5 99 5 - 5.9-7.6 HD2 LYS 20 - H ASP 87 far 0 96 0 - 8.5-12.3 HD3 LYS 20 - H ASP 87 far 0 94 0 - 9.3-13.0 HG3 LYS 20 - H ASP 87 far 0 94 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 7380 from nnoeabs.peaks (2.19, 8.13, 115.38 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.99: * HG3 PRO 86 + H ASP 87 OK 99 100 100 99 1.9-2.1 3846=64, 2.3/7382=41...(17) HB3 GLU 16 - H ASP 87 far 0 77 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. Peak 7381 from nnoeabs.peaks (3.98, 8.13, 115.38 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 86 + H ASP 87 OK 98 100 100 98 3.8-3.9 2.3/7380=52, 3.8/9898=34...(18) * HD2 PRO 86 + H ASP 87 OK 98 100 100 98 2.7-2.8 2.3/7380=52, 3.8/9898=34...(17) Violated in 0 structures by 0.00 A. Peak 7382 from nnoeabs.peaks (3.98, 8.13, 115.38 ppm; 3.64 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 86 + H ASP 87 OK 98 100 100 98 3.8-3.9 2.3/7380=52, 3.8/9898=34...(18) HD2 PRO 86 + H ASP 87 OK 98 100 100 98 2.7-2.8 2.3/7380=52, 3.8/9898=34...(17) Violated in 0 structures by 0.00 A. Peak 7383 from nnoeabs.peaks (4.22, 8.13, 115.38 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 87 + H ASP 87 OK 100 100 100 100 2.7-2.8 2.9=100 HB3 SER 85 + H ASP 87 OK 63 71 100 88 2.7-4.2 1.8/9846=35, 3.0/9898=31...(14) Violated in 0 structures by 0.00 A. Peak 7384 from nnoeabs.peaks (2.50, 8.13, 115.38 ppm; 2.97 A): 2 out of 3 assignments used, quality = 0.98: * HB2 ASP 87 + H ASP 87 OK 86 100 100 86 2.2-3.6 4.0=40, 1.8/3852=29...(19) HB3 ASP 87 + H ASP 87 OK 85 100 100 85 2.3-3.6 4.0=40, 1.8/3852=29...(19) HD2 ARG 91 - H ASP 87 far 0 99 0 - 5.0-6.8 Violated in 0 structures by 0.00 A. Peak 7385 from nnoeabs.peaks (2.50, 8.13, 115.38 ppm; 2.97 A): 2 out of 3 assignments used, quality = 0.98: HB2 ASP 87 + H ASP 87 OK 86 100 100 86 2.2-3.6 4.0=40, 1.8/3852=29...(19) * HB3 ASP 87 + H ASP 87 OK 85 100 100 85 2.3-3.6 4.0=40, 1.8/3852=29...(19) HD2 ARG 91 - H ASP 87 far 0 99 0 - 5.0-6.8 Violated in 0 structures by 0.00 A. Peak 7386 from nnoeabs.peaks (7.57, 8.13, 115.38 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 88 + H ASP 87 OK 100 100 100 100 2.9-3.0 7388=98, 9847/9849=25...(24) H LEU 14 - H ASP 87 far 0 93 0 - 7.2-7.9 Violated in 0 structures by 0.00 A. Peak 7387 from nnoeabs.peaks (7.57, 7.57, 120.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 88 + H GLU 88 OK 100 100 - 100 H LYS 24 + H LYS 24 OK 100 100 - 100 Peak 7388 from nnoeabs.peaks (8.13, 7.57, 120.01 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * H ASP 87 + H GLU 88 OK 100 100 100 100 2.9-3.0 7386=100, 9849/9847=26...(24) H TRP 92 - H GLU 88 far 0 100 0 - 5.3-5.6 H HIS 106 - H GLU 88 far 0 88 0 - 8.4-23.1 Violated in 0 structures by 0.00 A. Peak 7389 from nnoeabs.peaks (4.22, 7.57, 120.01 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 87 + H GLU 88 OK 100 100 100 100 3.6-3.6 3.6=100 HB3 SER 85 + H GLU 88 OK 68 71 100 95 3.1-4.9 1.8/9845=48, 3.0/8600=31...(15) Violated in 0 structures by 0.00 A. Peak 7390 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 3.22 A): 3 out of 6 assignments used, quality = 0.99: * HB2 ASP 87 + H GLU 88 OK 90 100 100 90 2.2-3.9 3856=35, 4.0/7386=34...(19) HB3 ASP 87 + H GLU 88 OK 89 100 100 89 2.9-3.9 3856=35, 4.0/7386=34...(18) HG3 GLU 23 + H LYS 24 OK 33 99 35 94 2.8-4.9 1042/6369=37...(14) HD2 ARG 91 - H GLU 88 poor 20 99 20 - 4.5-6.8 HG3 GLU 98 - H LYS 24 far 0 86 0 - 9.6-11.5 HG3 GLU 95 - H GLU 88 far 0 81 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 7391 from nnoeabs.peaks (2.50, 7.57, 120.01 ppm; 3.22 A): 3 out of 6 assignments used, quality = 0.99: HB2 ASP 87 + H GLU 88 OK 90 100 100 90 2.2-3.9 3856=35, 4.0/7386=34...(19) * HB3 ASP 87 + H GLU 88 OK 89 100 100 89 2.9-3.9 3856=35, 4.0/7386=34...(18) HG3 GLU 23 + H LYS 24 OK 33 99 35 94 2.8-4.9 1042/6369=37...(14) HD2 ARG 91 - H GLU 88 poor 20 99 20 - 4.5-6.8 HG3 GLU 98 - H LYS 24 far 0 86 0 - 9.6-11.5 HG3 GLU 95 - H GLU 88 far 0 81 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 7392 from nnoeabs.peaks (3.66, 7.57, 120.01 ppm; 3.40 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 88 + H GLU 88 OK 100 100 100 100 2.8-2.8 3.0=100 HA LEU 14 - H GLU 88 far 0 88 0 - 6.8-7.8 HA LYS 90 - H GLU 88 far 0 99 0 - 7.2-7.4 HA LYS 90 - H LYS 24 far 0 98 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 7393 from nnoeabs.peaks (1.81, 7.57, 120.01 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLU 88 + H GLU 88 OK 100 100 100 100 2.1-3.6 3.9=69, 1.8/3879=61...(20) HB2 LYS 90 - H GLU 88 far 0 100 0 - 6.0-7.2 HB3 LYS 90 - H GLU 88 far 0 85 0 - 7.1-7.8 HB3 LYS 90 - H LYS 24 far 0 84 0 - 7.2-8.8 HB ILE 93 - H LYS 24 far 0 99 0 - 7.3-8.0 HB2 GLU 104 - H GLU 88 far 0 100 0 - 7.8-20.6 HB3 LEU 57 - H GLU 88 far 0 96 0 - 8.2-9.2 HB2 LYS 90 - H LYS 24 far 0 100 0 - 8.3-10.5 HB ILE 93 - H GLU 88 far 0 100 0 - 8.7-9.3 Violated in 18 structures by 0.14 A. Peak 7394 from nnoeabs.peaks (2.08, 7.57, 120.01 ppm; 2.89 A): 4 out of 11 assignments used, quality = 1.00: * HB3 GLU 88 + H GLU 88 OK 96 100 100 96 2.7-3.1 1.8/7393=52, 3879=45...(19) HB2 GLU 23 + H LYS 24 OK 90 99 100 91 3.0-4.1 3.0/6377=36...(14) HB VAL 83 + H GLU 88 OK 41 68 80 76 4.2-4.6 9822/7393=16...(16) QE MET 21 + H LYS 24 OK 39 90 55 79 4.2-4.8 8540/3.0=21, 954/956=19...(17) HB2 MET 21 - H LYS 24 far 0 81 0 - 5.1-5.7 HB3 PRO 86 - H GLU 88 far 0 82 0 - 5.3-5.6 HG3 GLU 104 - H GLU 88 far 0 92 0 - 7.1-21.4 HG2 GLU 28 - H LYS 24 far 0 96 0 - 7.3-10.5 HG3 GLU 28 - H LYS 24 far 0 96 0 - 7.6-9.7 QE MET 21 - H GLU 88 far 0 91 0 - 8.6-9.5 HB2 MET 21 - H GLU 88 far 0 82 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 7395 from nnoeabs.peaks (2.14, 7.57, 120.01 ppm; 3.05 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 88 + H GLU 88 OK 98 100 100 98 1.9-4.5 3886=49, 3.0/7393=42...(20) HB3 GLU 23 + H LYS 24 OK 91 97 100 93 2.8-3.9 3.0/6377=41...(10) HB VAL 83 + H GLU 88 OK 64 79 95 85 4.2-4.6 9822/7393=23...(17) HB3 PRO 86 - H GLU 88 far 0 63 0 - 5.3-5.6 HB2 PRO 86 - H GLU 88 far 0 90 0 - 6.0-6.3 HG2 GLU 104 - H GLU 88 far 0 100 0 - 8.5-20.3 Violated in 0 structures by 0.00 A. Peak 7396 from nnoeabs.peaks (1.94, 7.57, 120.01 ppm; 2.76 A): 3 out of 10 assignments used, quality = 1.00: HB3 LYS 24 + H LYS 24 OK 87 92 100 95 2.1-2.5 1061=35, 1.8/1061=29...(26) HB2 LYS 24 + H LYS 24 OK 87 92 100 94 2.6-3.4 1061=35, 1.8/1073=29...(26) * HG3 GLU 88 + H GLU 88 OK 84 100 90 93 2.6-4.6 1.8/3886=35, 3.0/7393=34...(16) HB3 LYS 20 - H LYS 24 far 0 99 0 - 4.8-5.3 HB3 ARG 19 - H LYS 24 far 0 96 0 - 6.9-8.3 HB2 GLU 17 - H GLU 88 far 0 100 0 - 7.0-9.0 HB2 LYS 94 - H LYS 24 far 0 90 0 - 7.4-11.0 HB2 GLU 17 - H LYS 24 far 0 100 0 - 9.4-11.0 HB2 LYS 13 - H GLU 88 far 0 82 0 - 9.4-10.6 HB2 LYS 94 - H GLU 88 far 0 91 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 7397 from nnoeabs.peaks (7.42, 7.57, 120.01 ppm; 3.09 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 89 + H GLU 88 OK 100 100 100 100 2.7-2.8 7400=89, 4.3/7393=29...(25) HE3 TRP 92 - H GLU 88 far 0 100 0 - 7.1-8.0 HE ARG 19 - H LYS 24 far 0 81 0 - 8.0-11.3 Violated in 0 structures by 0.00 A. Peak 7398 from nnoeabs.peaks (8.05, 7.57, 120.01 ppm; 5.07 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 90 + H GLU 88 OK 100 100 100 100 4.5-4.8 7408/7397=94, 7411=82...(20) H GLU 17 - H GLU 88 far 0 95 0 - 9.4-10.8 H ILE 15 - H GLU 88 far 0 81 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 7399 from nnoeabs.peaks (7.42, 7.42, 118.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 89 + H ALA 89 OK 100 100 - 100 Peak 7400 from nnoeabs.peaks (7.57, 7.42, 118.87 ppm; 3.21 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 88 + H ALA 89 OK 100 100 100 100 2.7-2.8 7397=100, 7393/4.3=31...(26) H LEU 14 - H ALA 89 far 0 93 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 7401 from nnoeabs.peaks (3.66, 7.42, 118.87 ppm; 3.92 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 88 + H ALA 89 OK 100 100 100 100 3.4-3.5 3.6=100 HA LYS 90 + H ALA 89 OK 97 99 100 98 5.0-5.2 3.0/7408=72, 3.6/7429=68...(15) HA LEU 14 - H ALA 89 far 4 88 5 - 5.4-6.4 Violated in 0 structures by 0.00 A. Peak 7402 from nnoeabs.peaks (1.81, 7.42, 118.87 ppm; 3.63 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 88 + H ALA 89 OK 100 100 100 100 3.6-4.2 4.3=62, 7393/7397=58...(25) HB2 LYS 90 + H ALA 89 OK 64 100 70 91 4.5-5.8 4.1/7429=49, 4.1/7408=46...(14) HB3 LYS 90 - H ALA 89 far 0 85 0 - 5.4-6.1 HB3 LEU 57 - H ALA 89 far 0 96 0 - 6.1-6.8 HB ILE 93 - H ALA 89 far 0 100 0 - 6.5-7.1 HB2 GLU 104 - H ALA 89 far 0 100 0 - 7.7-20.3 Violated in 19 structures by 0.25 A. Peak 7403 from nnoeabs.peaks (2.08, 7.42, 118.87 ppm; 3.38 A): 2 out of 6 assignments used, quality = 1.00: * HB3 GLU 88 + H ALA 89 OK 99 100 100 99 2.9-3.1 4.3=50, 3879/7397=45...(26) HB VAL 83 + H ALA 89 OK 66 68 100 98 3.7-4.4 2.1/9927=35, ~9931=27...(23) HB3 PRO 86 - H ALA 89 far 4 82 5 - 4.9-5.1 QE MET 21 - H ALA 89 far 0 91 0 - 7.3-8.0 HG3 GLU 104 - H ALA 89 far 0 92 0 - 7.3-21.1 HB2 MET 21 - H ALA 89 far 0 82 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 7404 from nnoeabs.peaks (2.14, 7.42, 118.87 ppm; 3.99 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 88 + H ALA 89 OK 100 100 100 100 4.2-4.9 3886/7397=60...(23) HB VAL 83 + H ALA 89 OK 79 79 100 100 3.7-4.4 2.1/9927=46...(24) HB3 PRO 86 + H ALA 89 OK 61 63 100 96 4.9-5.1 2.3/9923=68, ~10971=36...(18) HB2 PRO 86 - H ALA 89 far 4 90 5 - 5.5-5.6 HG2 GLU 104 - H ALA 89 far 0 100 0 - 8.3-19.9 HB3 GLU 16 - H ALA 89 far 0 87 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 7405 from nnoeabs.peaks (1.94, 7.42, 118.87 ppm; 4.46 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 88 + H ALA 89 OK 100 100 100 100 4.4-5.1 3894/3.6=65...(22) HB2 GLU 17 - H ALA 89 poor 15 100 25 61 5.4-7.6 736/7408=23...(7) HB2 LYS 94 - H ALA 89 far 0 91 0 - 8.6-10.6 HB2 LYS 13 - H ALA 89 far 0 82 0 - 9.1-10.4 Violated in 18 structures by 0.13 A. Peak 7406 from nnoeabs.peaks (3.90, 7.42, 118.87 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HA ALA 89 + H ALA 89 OK 100 100 100 100 2.9-2.9 3.0=100 HB2 SER 85 + H ALA 89 OK 25 100 30 82 4.7-5.9 9845/7397=30...(14) HA ARG 91 - H ALA 89 far 0 98 0 - 6.2-6.5 HB3 SER 9 - H ALA 89 far 0 85 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 7407 from nnoeabs.peaks (1.34, 7.42, 118.87 ppm; 2.79 A): 1 out of 3 assignments used, quality = 0.98: * QB ALA 89 + H ALA 89 OK 98 100 100 98 2.1-2.3 2.9=86, 3910/7408=33...(20) HG LEU 14 - H ALA 89 far 15 99 15 - 4.2-5.8 HG2 LYS 94 - H ALA 89 far 0 100 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 7408 from nnoeabs.peaks (8.05, 7.42, 118.87 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 90 + H ALA 89 OK 100 100 100 100 2.4-2.6 7413=94, 7431/7429=53...(24) H GLU 17 - H ALA 89 far 0 95 0 - 7.8-9.0 H ILE 15 - H ALA 89 far 0 81 0 - 7.8-8.7 H GLU 16 - H ALA 89 far 0 77 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 7409 from nnoeabs.peaks (7.47, 7.42, 118.87 ppm; 2.93 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + H ALA 89 OK 100 100 100 100 3.4-3.8 7429=100, 7431/7408=38...(17) HE3 TRP 92 - H ALA 89 far 0 59 0 - 6.0-6.7 HZ2 TRP 92 - H ALA 89 far 0 91 0 - 7.0-7.4 Violated in 20 structures by 0.66 A. Peak 7410 from nnoeabs.peaks (8.05, 8.05, 114.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 90 + H LYS 90 OK 100 100 - 100 Peak 7411 from nnoeabs.peaks (7.57, 8.05, 114.83 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 88 + H LYS 90 OK 100 100 100 100 4.5-4.8 7398=100, 7397/7408=97...(20) H LEU 14 - H LYS 90 far 0 93 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 7412 from nnoeabs.peaks (3.66, 8.05, 114.83 ppm; 3.53 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 90 + H LYS 90 OK 99 99 100 100 2.8-2.9 3.0=100 ! HA GLU 88 - H LYS 90 far 15 100 15 - 5.0-5.2 HA LEU 14 - H LYS 90 far 9 88 10 - 4.9-6.3 Violated in 0 structures by 0.00 A. Peak 7413 from nnoeabs.peaks (7.42, 8.05, 114.83 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 89 + H LYS 90 OK 100 100 100 100 2.4-2.6 7408=100, 7429/7431=56...(24) HE3 TRP 92 - H LYS 90 far 0 100 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 7414 from nnoeabs.peaks (3.90, 8.05, 114.83 ppm; 4.04 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 89 + H LYS 90 OK 100 100 100 100 3.6-3.6 3.6=100 HA ARG 91 + H LYS 90 OK 96 98 100 98 5.1-5.3 3.0/7431=75, 3.6/7453=59...(20) HB2 SER 85 - H LYS 90 far 0 100 0 - 6.4-8.0 HA LYS 94 - H LYS 90 far 0 68 0 - 8.6-9.5 HB3 SER 9 - H LYS 90 far 0 85 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 7415 from nnoeabs.peaks (1.34, 8.05, 114.83 ppm; 3.15 A): 2 out of 4 assignments used, quality = 0.99: * QB ALA 89 + H LYS 90 OK 99 100 100 99 2.2-2.5 3910=81, 7407/7408=51...(27) HG LEU 14 + H LYS 90 OK 31 99 50 64 4.1-5.8 8407/9950=21...(17) HG2 LYS 94 - H LYS 90 far 0 100 0 - 7.8-10.8 QB ALA 25 - H LYS 90 far 0 100 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 7416 from nnoeabs.peaks (3.67, 8.05, 114.83 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 90 + H LYS 90 OK 100 100 100 100 2.8-2.9 3.0=100 HA GLU 88 - H LYS 90 far 5 99 5 - 5.0-5.2 HA LEU 14 - H LYS 90 far 5 98 5 - 4.9-6.3 Violated in 0 structures by 0.00 A. Peak 7417 from nnoeabs.peaks (1.81, 8.05, 114.83 ppm; 3.08 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 90 + H LYS 90 OK 99 100 100 99 2.1-3.5 2.8/7419=45, 2.8/7420=43...(24) HB3 LYS 90 + H LYS 90 OK 88 90 100 98 2.9-3.6 2.8/7419=45, 2.8/7420=43...(18) HB ILE 93 - H LYS 90 far 0 99 0 - 4.6-5.5 HB2 GLU 88 - H LYS 90 far 0 100 0 - 6.0-6.5 HB3 LEU 57 - H LYS 90 far 0 98 0 - 6.4-7.2 HB2 GLU 104 - H LYS 90 far 0 100 0 - 8.0-20.6 Violated in 0 structures by 0.00 A. Peak 7418 from nnoeabs.peaks (1.83, 8.05, 114.83 ppm; 3.17 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 90 + H LYS 90 OK 99 100 100 99 2.9-3.6 2.8/7419=48, 4.1=47...(17) HB2 LYS 90 + H LYS 90 OK 89 90 100 99 2.1-3.5 2.8/7419=48, 4.1=47...(23) HB ILE 93 - H LYS 90 far 4 75 5 - 4.6-5.5 HB2 GLU 88 - H LYS 90 far 0 85 0 - 6.0-6.5 HB3 LEU 57 - H LYS 90 far 0 99 0 - 6.4-7.2 HB2 GLU 104 - H LYS 90 far 0 85 0 - 8.0-20.6 HB3 GLU 104 - H LYS 90 far 0 65 0 - 8.9-20.6 HB VAL 5 - H LYS 90 far 0 82 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 7419 from nnoeabs.peaks (1.29, 8.05, 114.83 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + H LYS 90 OK 100 100 100 100 1.6-3.8 1.8/7420=68, 3915/3.0=50...(24) Violated in 2 structures by 0.04 A. Peak 7420 from nnoeabs.peaks (1.58, 8.05, 114.83 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 90 + H LYS 90 OK 100 100 100 100 1.9-4.4 1.8/7419=75, 2.9/7422=45...(26) HD3 LYS 94 - H LYS 90 far 0 97 0 - 5.6-9.8 HB3 LEU 29 - H LYS 90 far 0 98 0 - 8.5-10.6 HG2 ARG 19 - H LYS 90 far 0 100 0 - 9.5-11.3 HG2 LYS 24 - H LYS 90 far 0 100 0 - 10.0-14.0 Violated in 12 structures by 0.19 A. Peak 7421 from nnoeabs.peaks (1.74, 8.05, 114.83 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 90 + H LYS 90 OK 100 100 100 100 2.6-4.4 2.9/7419=73, 2.9/7420=71...(20) HD2 LYS 13 - H LYS 90 far 0 59 0 - 7.3-12.1 HD3 LYS 13 - H LYS 90 far 0 63 0 - 7.4-12.5 HG3 ARG 19 - H LYS 90 far 0 91 0 - 9.2-11.4 HB ILE 15 - H LYS 90 far 0 99 0 - 9.3-10.2 Violated in 4 structures by 0.07 A. Peak 7422 from nnoeabs.peaks (1.70, 8.05, 114.83 ppm; 4.06 A): 1 out of 10 assignments used, quality = 1.00: * HD3 LYS 90 + H LYS 90 OK 100 100 100 100 2.3-4.4 2.9/7419=72, 2.9/7420=70...(28) HB3 ARG 91 - H LYS 90 far 5 97 5 - 4.8-6.2 HG2 PRO 86 - H LYS 90 far 0 100 0 - 6.7-7.0 HG3 LYS 20 - H LYS 90 far 0 90 0 - 7.3-10.9 HD2 LYS 13 - H LYS 90 far 0 100 0 - 7.3-12.1 HD3 LYS 13 - H LYS 90 far 0 100 0 - 7.4-12.5 HD2 LYS 20 - H LYS 90 far 0 93 0 - 7.6-10.5 HD3 LYS 20 - H LYS 90 far 0 90 0 - 7.9-10.9 HG12 ILE 15 - H LYS 90 far 0 100 0 - 8.3-9.1 HB ILE 15 - H LYS 90 far 0 71 0 - 9.3-10.2 Violated in 3 structures by 0.02 A. Peak 7423 from nnoeabs.peaks (2.81, 8.05, 114.83 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 90 + H LYS 90 OK 100 100 100 100 4.5-5.6 3.0/7422=88, 3.0/7421=88...(21) Violated in 6 structures by 0.04 A. Peak 7424 from nnoeabs.peaks (2.94, 8.05, 114.83 ppm; 4.89 A): 2 out of 8 assignments used, quality = 1.00: * HE3 LYS 90 + H LYS 90 OK 100 100 100 100 4.2-5.6 4005/7419=81...(25) HG2 MET 21 + H LYS 90 OK 100 100 100 100 4.2-6.0 3920/3.0=84, 3.4/8537=68...(21) HE2 LYS 94 - H LYS 90 far 0 96 0 - 6.5-10.3 HE3 LYS 94 - H LYS 90 far 0 85 0 - 6.9-10.6 HE3 LYS 13 - H LYS 90 far 0 90 0 - 8.3-12.7 HE2 LYS 13 - H LYS 90 far 0 87 0 - 8.4-11.2 HE3 LYS 20 - H LYS 90 far 0 88 0 - 8.5-11.2 HE2 LYS 20 - H LYS 90 far 0 87 0 - 8.6-11.7 Violated in 1 structures by 0.01 A. Peak 7425 from nnoeabs.peaks (7.47, 8.05, 114.83 ppm; 3.38 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + H LYS 90 OK 100 100 100 100 2.4-2.7 7431=100, 7429/7408=59...(27) HE3 TRP 92 - H LYS 90 far 0 59 0 - 7.3-7.9 HZ2 TRP 92 - H LYS 90 far 0 91 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 7426 from nnoeabs.peaks (8.14, 8.05, 114.83 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 92 + H LYS 90 OK 100 100 100 100 4.0-4.2 7453=100, 7448/7431=76...(16) H ASP 87 + H LYS 90 OK 100 100 100 100 4.6-4.8 10963=80, 2.9/9951=68...(22) Violated in 0 structures by 0.00 A. Peak 7427 from nnoeabs.peaks (7.47, 7.47, 119.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 91 + H ARG 91 OK 100 100 - 100 Peak 7428 from nnoeabs.peaks (3.66, 7.47, 119.03 ppm; 3.49 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 90 + H ARG 91 OK 99 99 100 100 3.5-3.6 3.6=93, 3.0/7431=59...(30) * HA GLU 88 + H ARG 91 OK 97 100 100 97 3.9-4.3 3.6/7429=55...(22) HA LEU 14 - H ARG 91 far 0 88 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 7429 from nnoeabs.peaks (7.42, 7.47, 119.03 ppm; 2.77 A): 1 out of 2 assignments used, quality = 0.97: * H ALA 89 + H ARG 91 OK 97 100 100 97 3.4-3.8 7409=85, 7408/7431=34...(16) HE3 TRP 92 - H ARG 91 far 0 100 0 - 7.3-7.7 Violated in 20 structures by 0.82 A. Peak 7430 from nnoeabs.peaks (3.90, 7.47, 119.03 ppm; 3.20 A): 2 out of 4 assignments used, quality = 0.99: HA ARG 91 + H ARG 91 OK 98 98 100 100 2.8-2.9 3.0=100 * HA ALA 89 + H ARG 91 OK 76 100 80 95 4.4-4.9 3.0/7429=58...(15) HB2 SER 85 - H ARG 91 far 0 100 0 - 7.0-8.4 HA LYS 94 - H ARG 91 far 0 68 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 7431 from nnoeabs.peaks (8.05, 7.47, 119.03 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 90 + H ARG 91 OK 100 100 100 100 2.4-2.7 7425=87, 7408/7429=54...(26) H GLU 17 - H ARG 91 far 0 95 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 7432 from nnoeabs.peaks (3.67, 7.47, 119.03 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 90 + H ARG 91 OK 100 100 100 100 3.5-3.6 3.6=94, 3.0/7431=59...(30) HA GLU 88 + H ARG 91 OK 96 99 100 97 3.9-4.3 3.6/7429=56...(22) HA LEU 14 - H ARG 91 far 0 98 0 - 7.3-8.5 Violated in 0 structures by 0.00 A. Peak 7433 from nnoeabs.peaks (1.81, 7.47, 119.03 ppm; 3.22 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 90 + H ARG 91 OK 98 100 100 98 2.5-4.1 4.1=47, 2.8/7435=35...(23) HB3 LYS 90 + H ARG 91 OK 87 90 100 97 3.5-4.2 4.1=47, 2.8/7435=35...(19) HB ILE 93 - H ARG 91 far 0 99 0 - 4.7-5.1 HB2 GLU 104 - H ARG 91 far 0 100 0 - 5.8-19.0 HB2 GLU 88 - H ARG 91 far 0 100 0 - 5.9-6.3 HB3 LEU 57 - H ARG 91 far 0 98 0 - 8.0-8.9 Violated in 10 structures by 0.09 A. Peak 7434 from nnoeabs.peaks (1.83, 7.47, 119.03 ppm; 3.36 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 90 + H ARG 91 OK 98 100 100 98 3.5-4.2 4.1=54, 2.8/7435=39...(19) HB2 LYS 90 + H ARG 91 OK 88 90 100 98 2.5-4.1 4.1=54, 2.8/7435=39...(23) HB ILE 93 + H ARG 91 OK 27 75 50 72 4.7-5.1 3.9/7449=25, 4129/3.6=23...(13) HB2 GLU 104 - H ARG 91 far 0 85 0 - 5.8-19.0 HB2 GLU 88 - H ARG 91 far 0 85 0 - 5.9-6.3 HB3 GLU 104 - H ARG 91 far 0 65 0 - 6.6-19.1 HB3 LEU 57 - H ARG 91 far 0 99 0 - 8.0-8.9 Violated in 6 structures by 0.01 A. Peak 7435 from nnoeabs.peaks (1.29, 7.47, 119.03 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + H ARG 91 OK 100 100 100 100 1.8-4.3 7419/7431=73...(24) Violated in 2 structures by 0.00 A. Peak 7436 from nnoeabs.peaks (1.58, 7.47, 119.03 ppm; 4.29 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 90 + H ARG 91 OK 100 100 100 100 2.1-5.1 1.8/7435=77...(22) HD3 LYS 94 + H ARG 91 OK 43 97 50 88 4.0-8.3 6.3/10980=24...(28) HB2 LEU 103 - H ARG 91 far 0 100 0 - 9.0-19.0 HG2 LYS 24 - H ARG 91 far 0 100 0 - 9.8-13.4 HB3 LEU 29 - H ARG 91 far 0 98 0 - 9.8-12.2 Violated in 6 structures by 0.12 A. Peak 7437 from nnoeabs.peaks (1.74, 7.47, 119.03 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.99: * HD2 LYS 90 + H ARG 91 OK 99 100 100 99 2.3-4.8 7421/7431=51...(19) HD2 LYS 13 - H ARG 91 far 0 59 0 - 9.3-14.2 HD3 LYS 13 - H ARG 91 far 0 63 0 - 9.4-14.5 Violated in 13 structures by 0.38 A. Peak 7438 from nnoeabs.peaks (1.70, 7.47, 119.03 ppm; 3.24 A): 2 out of 8 assignments used, quality = 1.00: HB3 ARG 91 + H ARG 91 OK 96 97 100 99 2.5-3.6 3.9=57, 1.8/4025=57...(18) * HD3 LYS 90 + H ARG 91 OK 96 100 100 96 2.9-4.6 7422/7431=36...(21) HG2 PRO 86 - H ARG 91 far 0 100 0 - 8.0-8.4 HG3 LYS 20 - H ARG 91 far 0 90 0 - 8.1-12.2 HD2 LYS 20 - H ARG 91 far 0 93 0 - 8.6-12.1 HD3 LYS 20 - H ARG 91 far 0 90 0 - 9.2-12.3 HD2 LYS 13 - H ARG 91 far 0 100 0 - 9.3-14.2 HD3 LYS 13 - H ARG 91 far 0 100 0 - 9.4-14.5 Violated in 4 structures by 0.03 A. Peak 7441 from nnoeabs.peaks (3.89, 7.47, 119.03 ppm; 3.20 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 91 + H ARG 91 OK 100 100 100 100 2.8-2.9 3.0=100 HA ALA 89 + H ARG 91 OK 74 98 80 94 4.4-4.9 3.0/7429=58...(15) HB2 SER 85 - H ARG 91 far 0 96 0 - 7.0-8.4 HA LYS 94 - H ARG 91 far 0 90 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 7442 from nnoeabs.peaks (1.49, 7.47, 119.03 ppm; 3.03 A): 2 out of 6 assignments used, quality = 0.99: * HB2 ARG 91 + H ARG 91 OK 96 100 100 96 2.4-3.6 4025=55, 1.8/7443=38...(20) HG3 ARG 91 + H ARG 91 OK 65 70 100 93 2.1-2.6 2.8/4025=39, 1.8/7444=33...(20) HG LEU 57 - H ARG 91 far 0 96 0 - 6.1-6.9 HB2 LEU 14 - H ARG 91 far 0 65 0 - 7.8-8.9 HB3 LEU 103 - H ARG 91 far 0 63 0 - 8.5-18.6 HG2 LYS 20 - H ARG 91 far 0 79 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 7443 from nnoeabs.peaks (1.68, 7.47, 119.03 ppm; 3.04 A): 2 out of 8 assignments used, quality = 0.99: * HB3 ARG 91 + H ARG 91 OK 97 100 100 97 2.5-3.6 1.8/4025=50, 3.9=48...(18) HD3 LYS 90 + H ARG 91 OK 76 97 85 92 2.9-4.6 2.9/7435=30...(20) HG2 PRO 86 - H ARG 91 far 0 99 0 - 8.0-8.4 HG3 LYS 20 - H ARG 91 far 0 99 0 - 8.1-12.2 HD2 LYS 20 - H ARG 91 far 0 100 0 - 8.6-12.1 HD3 LYS 20 - H ARG 91 far 0 99 0 - 9.2-12.3 HD2 LYS 13 - H ARG 91 far 0 94 0 - 9.3-14.2 HD3 LYS 13 - H ARG 91 far 0 92 0 - 9.4-14.5 Violated in 12 structures by 0.11 A. Peak 7444 from nnoeabs.peaks (1.08, 7.47, 119.03 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 91 + H ARG 91 OK 100 100 100 100 3.0-3.7 4.8=79, 2.8/4025=77...(24) HB3 ARG 81 - H ARG 91 far 0 92 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 7445 from nnoeabs.peaks (1.45, 7.47, 119.03 ppm; 3.08 A): 2 out of 6 assignments used, quality = 0.98: * HG3 ARG 91 + H ARG 91 OK 96 100 100 96 2.1-2.6 2.8/4025=40, 1.8/7444=34...(24) HB2 ARG 91 + H ARG 91 OK 66 70 100 95 2.4-3.6 3.9=49, 1.8/7443=39...(18) QB ALA 22 - H ARG 91 far 0 95 0 - 7.8-9.2 HG2 LYS 20 - H ARG 91 far 0 100 0 - 8.5-11.2 HG LEU 29 - H ARG 91 far 0 95 0 - 9.0-12.4 HG12 ILE 7 - H ARG 91 far 0 81 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 7446 from nnoeabs.peaks (2.49, 7.47, 119.03 ppm; 5.20 A): 3 out of 4 assignments used, quality = 1.00: * HD2 ARG 91 + H ARG 91 OK 100 100 100 100 3.1-4.7 4062=100, 3.5/4025=85...(23) HB3 ASP 87 + H ARG 91 OK 97 99 100 99 4.2-5.6 3.0/9963=78...(18) HB2 ASP 87 + H ARG 91 OK 97 99 100 98 4.3-5.4 3.0/9963=78...(19) HG3 GLU 95 - H ARG 91 far 0 59 0 - 7.1-9.2 Violated in 0 structures by 0.00 A. Peak 7447 from nnoeabs.peaks (2.66, 7.47, 119.03 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 91 + H ARG 91 OK 100 100 100 100 4.1-4.9 4071=100, 1.8/4062=91...(20) Violated in 0 structures by 0.00 A. Peak 7448 from nnoeabs.peaks (8.14, 7.47, 119.03 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + H ARG 91 OK 100 100 100 100 2.5-2.7 7455=95, 7453/7431=44...(20) H ASP 87 - H ARG 91 far 0 100 0 - 5.1-5.5 Violated in 0 structures by 0.00 A. Peak 7449 from nnoeabs.peaks (8.36, 7.47, 119.03 ppm; 4.87 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 93 + H ARG 91 OK 100 100 100 100 3.7-4.0 7472/7448=83...(21) H GLU 95 - H ARG 91 far 10 100 10 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 7450 from nnoeabs.peaks (8.14, 8.14, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TRP 92 + H TRP 92 OK 100 100 - 100 Peak 7451 from nnoeabs.peaks (3.66, 8.14, 118.10 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 90 + H TRP 92 OK 99 99 100 100 4.3-4.6 3.0/7453=80, 3.6/7448=75...(15) * HA GLU 88 + H TRP 92 OK 98 100 100 98 3.5-3.9 4024/4033=55...(18) HA LEU 14 - H TRP 92 far 0 88 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 7452 from nnoeabs.peaks (3.90, 8.14, 118.10 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 89 + H TRP 92 OK 99 100 100 99 3.6-3.9 3.6/7453=51, 3904=46...(20) HA ARG 91 + H TRP 92 OK 98 98 100 100 3.5-3.5 3.6=100 HA LYS 94 - H TRP 92 far 0 68 0 - 6.8-7.4 HB2 SER 85 - H TRP 92 far 0 100 0 - 8.1-9.1 HB2 SER 102 - H TRP 92 far 0 100 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 7453 from nnoeabs.peaks (8.05, 8.14, 118.10 ppm; 3.57 A): 1 out of 2 assignments used, quality = 0.94: * H LYS 90 + H TRP 92 OK 94 100 100 94 4.0-4.2 7431/7448=56...(14) H SER 102 - H TRP 92 far 0 98 0 - 10.0-17.1 Violated in 20 structures by 0.51 A. Peak 7454 from nnoeabs.peaks (3.67, 8.14, 118.10 ppm; 4.41 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 90 + H TRP 92 OK 100 100 100 100 4.3-4.6 3.0/7453=78, 3.6/7448=73...(15) HA GLU 88 + H TRP 92 OK 96 99 100 98 3.5-3.9 4024/4033=53...(18) HA LEU 14 - H TRP 92 far 0 98 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 7455 from nnoeabs.peaks (7.47, 8.14, 118.10 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + H TRP 92 OK 100 100 100 100 2.5-2.7 7448=100, 7431/7453=45...(20) HE3 TRP 92 - H TRP 92 far 0 59 0 - 5.1-5.4 HZ2 TRP 92 - H TRP 92 far 0 91 0 - 6.7-6.9 Violated in 0 structures by 0.00 A. Peak 7456 from nnoeabs.peaks (3.89, 8.14, 118.10 ppm; 3.72 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 91 + H TRP 92 OK 100 100 100 100 3.5-3.5 3.6=100 HA ALA 89 + H TRP 92 OK 96 98 100 99 3.6-3.9 3.6/7453=51, 3904=45...(20) HA LYS 94 - H TRP 92 far 0 90 0 - 6.8-7.4 HB2 SER 85 - H TRP 92 far 0 96 0 - 8.1-9.1 HB2 SER 102 - H TRP 92 far 0 100 0 - 9.8-19.9 Violated in 0 structures by 0.00 A. Peak 7457 from nnoeabs.peaks (1.49, 8.14, 118.10 ppm; 3.42 A): 2 out of 6 assignments used, quality = 0.99: * HB2 ARG 91 + H TRP 92 OK 98 100 100 98 2.5-3.7 1.8/7458=64, 4033=58...(12) HG3 ARG 91 + H TRP 92 OK 65 70 100 94 4.1-4.4 2.8/7458=50, 2.8/4033=43...(14) HG LEU 57 - H TRP 92 far 0 96 0 - 5.0-5.7 HB3 LEU 103 - H TRP 92 far 0 63 0 - 6.0-16.1 HB2 LEU 14 - H TRP 92 far 0 65 0 - 9.1-10.2 HB ILE 7 - H TRP 92 far 0 65 0 - 9.5-11.2 Violated in 1 structures by 0.00 A. Peak 7458 from nnoeabs.peaks (1.68, 8.14, 118.10 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.99: * HB3 ARG 91 + H TRP 92 OK 99 100 100 99 2.7-3.8 4.3=63, 1.8/4033=63...(10) HD3 LYS 90 - H TRP 92 far 0 97 0 - 5.2-7.1 Violated in 14 structures by 0.05 A. Peak 7459 from nnoeabs.peaks (1.08, 8.14, 118.10 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 91 + H TRP 92 OK 100 100 100 100 4.8-4.9 2.8/7458=84, 2.8/4033=78...(12) HB3 ARG 81 - H TRP 92 far 0 92 0 - 7.4-8.1 Violated in 20 structures by 0.15 A. Peak 7460 from nnoeabs.peaks (1.45, 8.14, 118.10 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.99: * HG3 ARG 91 + H TRP 92 OK 96 100 100 96 4.1-4.4 2.8/7458=52, 2.8/4033=45...(14) HB2 ARG 91 + H TRP 92 OK 68 70 100 97 2.5-3.7 1.8/7458=67, 4.3=54...(12) QB ALA 22 - H TRP 92 far 0 95 0 - 7.6-9.0 HG12 ILE 7 - H TRP 92 far 0 81 0 - 8.9-9.8 HG LEU 29 - H TRP 92 far 0 95 0 - 9.1-12.0 Violated in 1 structures by 0.00 A. Peak 7463 from nnoeabs.peaks (4.82, 8.14, 118.10 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + H TRP 92 OK 100 100 100 100 2.8-2.9 2.9=100 HA VAL 83 - H TRP 92 far 0 90 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 7464 from nnoeabs.peaks (3.10, 8.14, 118.10 ppm; 3.43 A): 1 out of 6 assignments used, quality = 0.98: * HB2 TRP 92 + H TRP 92 OK 98 100 100 98 2.3-3.6 1.8/7465=63, 4.0=61...(15) HB3 HIS 105 - H TRP 92 far 0 65 0 - 6.5-20.8 HB2 PHE 96 - H TRP 92 far 0 100 0 - 6.7-7.7 HB2 HIS 105 - H TRP 92 far 0 87 0 - 7.9-20.0 HD3 ARG 79 - H TRP 92 far 0 82 0 - 9.0-14.2 HD2 ARG 79 - H TRP 92 far 0 79 0 - 9.4-14.2 Violated in 6 structures by 0.05 A. Peak 7465 from nnoeabs.peaks (3.19, 8.14, 118.10 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 92 + H TRP 92 OK 100 100 100 100 2.3-3.6 1.8/7464=82, 4.0=79...(15) HB2 HIS 106 - H TRP 92 far 0 99 0 - 7.2-21.2 Violated in 0 structures by 0.00 A. Peak 7466 from nnoeabs.peaks (6.87, 8.14, 118.10 ppm; 4.08 A): 1 out of 1 assignment used, quality = 0.99: * HD1 TRP 92 + H TRP 92 OK 99 100 100 99 2.4-2.9 3.9/7464=58, 3.9/7465=54...(14) Violated in 0 structures by 0.00 A. Peak 7467 from nnoeabs.peaks (7.43, 8.14, 118.10 ppm; 3.95 A): 3 out of 3 assignments used, quality = 1.00: H ALA 89 + H TRP 92 OK 99 100 100 99 4.1-4.3 7429/7448=73...(16) * HE3 TRP 92 + H TRP 92 OK 96 100 100 96 5.1-5.4 4.2/7464=50, 4.2/7465=46...(13) H ARG 91 + H TRP 92 OK 59 59 100 100 2.5-2.7 4.6=62, 3.9/7458=51...(20) Violated in 0 structures by 0.00 A. Peak 7468 from nnoeabs.peaks (10.29, 8.14, 118.10 ppm; 6.13 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 92 + H TRP 92 OK 100 100 100 100 4.6-4.9 2.6/7466=99, 9967=99...(8) Violated in 0 structures by 0.00 A. Peak 7472 from nnoeabs.peaks (8.36, 8.14, 118.10 ppm; 3.58 A): 1 out of 2 assignments used, quality = 0.99: * H ILE 93 + H TRP 92 OK 99 100 100 99 2.4-2.7 7482=79, 7498/7473=38...(17) H GLU 95 - H TRP 92 poor 20 100 20 - 5.0-5.7 Violated in 0 structures by 0.00 A. Peak 7473 from nnoeabs.peaks (8.26, 8.14, 118.10 ppm; 4.18 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 94 + H TRP 92 OK 98 100 100 98 4.0-4.7 7498/7472=60, 7503=54...(10) H LEU 103 - H TRP 92 far 0 88 0 - 9.1-15.8 Violated in 16 structures by 0.31 A. Peak 7474 from nnoeabs.peaks (6.87, 10.29, 128.25 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 92 + HE1 TRP 92 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 7475 from nnoeabs.peaks (10.29, 10.29, 128.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 92 + HE1 TRP 92 OK 100 100 - 100 Peak 7476 from nnoeabs.peaks (7.49, 10.29, 128.25 ppm; 3.40 A): 1 out of 2 assignments used, quality = 1.00: * HZ2 TRP 92 + HE1 TRP 92 OK 100 100 100 100 2.8-2.8 2.8=100 H ARG 91 - HE1 TRP 92 far 0 91 0 - 5.8-6.5 Violated in 0 structures by 0.00 A. Peak 7477 from nnoeabs.peaks (8.36, 8.36, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 93 + H ILE 93 OK 100 100 - 100 Peak 7478 from nnoeabs.peaks (3.90, 8.36, 120.59 ppm; 4.94 A): 3 out of 6 assignments used, quality = 1.00: * HA ALA 89 + H ILE 93 OK 100 100 100 100 4.0-4.7 2.1/9939=77...(13) HA ARG 91 + H ILE 93 OK 97 98 100 100 3.8-4.4 3.6/7472=80, 3.0/7449=68...(19) HA LYS 94 + H ILE 93 OK 67 68 100 99 5.1-5.4 3.0/7498=87...(16) HB2 SER 102 - H ILE 93 far 0 100 0 - 9.2-18.6 HA2 GLY 101 - H ILE 93 far 0 68 0 - 9.2-15.4 HA3 GLY 101 - H ILE 93 far 0 99 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 7479 from nnoeabs.peaks (3.67, 8.36, 120.59 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 90 + H ILE 93 OK 100 100 100 100 3.3-3.7 3922=100, 4129/7493=66...(18) HA GLU 88 + H ILE 93 OK 55 99 80 70 5.9-6.4 7454/7472=30...(8) HA LEU 14 - H ILE 93 far 0 98 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 7480 from nnoeabs.peaks (7.47, 8.36, 120.59 ppm; 5.51 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 91 + H ILE 93 OK 100 100 100 100 3.7-4.0 7449=100, 7448/7472=93...(21) HE3 TRP 92 + H ILE 93 OK 51 59 100 86 5.7-6.3 5.9/7472=59, 4.2/7484=37...(7) HZ2 TRP 92 - H ILE 93 far 0 91 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 7481 from nnoeabs.peaks (3.89, 8.36, 120.59 ppm; 4.94 A): 3 out of 6 assignments used, quality = 1.00: * HA ARG 91 + H ILE 93 OK 100 100 100 100 3.8-4.4 3.6/7472=80, 3.0/7449=68...(19) HA ALA 89 + H ILE 93 OK 97 98 100 100 4.0-4.7 2.1/9939=77...(13) HA LYS 94 + H ILE 93 OK 89 90 100 100 5.1-5.4 3.0/7498=87...(17) HB2 SER 102 - H ILE 93 far 0 100 0 - 9.2-18.6 HA2 GLY 101 - H ILE 93 far 0 90 0 - 9.2-15.4 HA3 GLY 101 - H ILE 93 far 0 100 0 - 9.3-15.6 Violated in 0 structures by 0.00 A. Peak 7482 from nnoeabs.peaks (8.14, 8.36, 120.59 ppm; 3.88 A): 1 out of 3 assignments used, quality = 1.00: * H TRP 92 + H ILE 93 OK 100 100 100 100 2.4-2.7 7472=100, 7473/7498=45...(17) H ASP 87 - H ILE 93 far 0 100 0 - 8.7-9.0 H GLY 100 - H ILE 93 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 7483 from nnoeabs.peaks (4.82, 8.36, 120.59 ppm; 5.05 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + H ILE 93 OK 100 100 100 100 3.4-3.5 3.6=100 HA VAL 83 - H ILE 93 far 0 90 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 7484 from nnoeabs.peaks (3.10, 8.36, 120.59 ppm; 4.27 A): 2 out of 6 assignments used, quality = 1.00: * HB2 TRP 92 + H ILE 93 OK 99 100 100 99 3.0-4.0 4.5=85, 7464/7472=67...(13) HB2 PHE 96 + H ILE 93 OK 98 100 100 98 4.8-5.8 4325/3.0=62, ~4128=43...(13) HB3 HIS 105 - H ILE 93 far 0 65 0 - 8.4-21.3 HD3 ARG 79 - H ILE 93 far 0 82 0 - 8.6-14.0 HD2 ARG 79 - H ILE 93 far 0 79 0 - 8.6-13.7 HB2 HIS 105 - H ILE 93 far 0 87 0 - 9.5-20.6 Violated in 0 structures by 0.00 A. Peak 7485 from nnoeabs.peaks (3.19, 8.36, 120.59 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 92 + H ILE 93 OK 100 100 100 100 2.7-4.1 4.5=100 HB2 HIS 106 - H ILE 93 far 0 99 0 - 9.4-22.1 Violated in 0 structures by 0.00 A. Peak 7492 from nnoeabs.peaks (3.54, 8.36, 120.59 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + H ILE 93 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7493 from nnoeabs.peaks (1.80, 8.36, 120.59 ppm; 3.47 A): 1 out of 6 assignments used, quality = 0.99: * HB ILE 93 + H ILE 93 OK 99 100 100 99 2.2-2.5 3.9=68, 7507/7498=44...(22) HB3 LYS 90 - H ILE 93 far 0 75 0 - 5.1-5.6 HB2 LYS 90 - H ILE 93 far 0 99 0 - 5.1-5.9 HB2 GLU 104 - H ILE 93 far 0 100 0 - 5.4-16.4 HB3 LEU 57 - H ILE 93 far 0 91 0 - 6.9-7.6 HB2 GLU 88 - H ILE 93 far 0 100 0 - 7.2-8.5 Violated in 0 structures by 0.00 A. Peak 7494 from nnoeabs.peaks (0.75, 8.36, 120.59 ppm; 3.35 A): 4 out of 8 assignments used, quality = 1.00: * QG2 ILE 93 + H ILE 93 OK 99 100 100 99 3.6-3.8 2.1/7493=62, 4.0=59...(28) HG13 ILE 93 + H ILE 93 OK 98 100 100 98 2.3-4.2 3.0/7493=50, 2.1/4162=46...(22) QD1 ILE 93 + H ILE 93 OK 91 93 100 98 3.1-3.5 3.2/7493=47, 4162=47...(23) QG1 VAL 5 + H ILE 93 OK 25 87 40 72 4.6-5.2 8195/10005=23, ~8176=19...(13) QD1 LEU 27 - H ILE 93 far 0 94 0 - 5.5-6.6 HG3 ARG 81 - H ILE 93 far 0 99 0 - 6.8-9.5 QD2 LEU 27 - H ILE 93 far 0 91 0 - 7.8-9.0 QG1 VAL 54 - H ILE 93 far 0 99 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 7495 from nnoeabs.peaks (2.04, 8.36, 120.59 ppm; 3.62 A): 3 out of 7 assignments used, quality = 1.00: * HG12 ILE 93 + H ILE 93 OK 99 100 100 99 2.8-4.2 3.0/7493=58, 2.1/4162=55...(16) HB2 MET 21 + H ILE 93 OK 59 98 70 86 4.5-6.0 8549/3922=26...(13) HB3 LYS 94 + H ILE 93 OK 21 96 25 86 4.4-6.3 4.0/7498=40, 1.8/4195=26...(15) HB3 GLU 17 - H ILE 93 far 0 75 0 - 7.9-9.7 HB2 GLU 99 - H ILE 93 far 0 100 0 - 8.8-11.5 HB2 GLU 98 - H ILE 93 far 0 100 0 - 9.0-10.2 HB3 GLU 99 - H ILE 93 far 0 100 0 - 9.5-11.7 Violated in 12 structures by 0.12 A. Peak 7496 from nnoeabs.peaks (0.74, 8.36, 120.59 ppm; 3.35 A): 4 out of 10 assignments used, quality = 1.00: QG2 ILE 93 + H ILE 93 OK 99 100 100 99 3.6-3.8 2.1/7493=62, 4.0=59...(26) * HG13 ILE 93 + H ILE 93 OK 98 100 100 98 2.3-4.2 3.0/7493=50, 2.1/4162=46...(22) QD1 ILE 93 + H ILE 93 OK 82 84 100 97 3.1-3.5 3.2/7493=47, 4162=40...(23) QG1 VAL 5 + H ILE 93 OK 28 95 40 74 4.6-5.2 8195/10005=25...(13) QD1 LEU 27 - H ILE 93 far 0 85 0 - 5.5-6.6 HG3 ARG 81 - H ILE 93 far 0 100 0 - 6.8-9.5 QD2 LEU 27 - H ILE 93 far 0 97 0 - 7.8-9.0 QD2 LEU 14 - H ILE 93 far 0 68 0 - 8.1-9.1 QD1 ILE 56 - H ILE 93 far 0 65 0 - 8.9-11.0 QG1 VAL 54 - H ILE 93 far 0 94 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 7497 from nnoeabs.peaks (0.77, 8.36, 120.59 ppm; 3.46 A): 4 out of 8 assignments used, quality = 1.00: * QD1 ILE 93 + H ILE 93 OK 99 100 100 99 3.1-3.5 4162=57, 3.2/7493=50...(23) QG2 ILE 93 + H ILE 93 OK 92 93 100 99 3.6-3.8 2.1/7493=66, 4.0=65...(28) HG13 ILE 93 + H ILE 93 OK 83 84 100 98 2.3-4.2 3.0/7493=53, 2.1/4162=49...(22) QD2 LEU 57 + H ILE 93 OK 42 84 85 59 4.5-5.2 10217/10005=18...(13) QD1 LEU 27 - H ILE 93 far 0 100 0 - 5.5-6.6 HG3 ARG 81 - H ILE 93 far 0 77 0 - 6.8-9.5 QG2 ILE 7 - H ILE 93 far 0 79 0 - 9.0-10.1 QG1 VAL 54 - H ILE 93 far 0 99 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 7498 from nnoeabs.peaks (8.26, 8.36, 120.59 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + H ILE 93 OK 100 100 100 100 2.5-2.8 7507/7493=54, 4.6=52...(25) H GLU 23 - H ILE 93 far 0 98 0 - 8.9-10.2 H LEU 103 - H ILE 93 far 0 88 0 - 9.0-15.2 Violated in 0 structures by 0.00 A. Peak 7499 from nnoeabs.peaks (8.36, 8.36, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H ILE 93 + H ILE 93 OK 100 100 - 100 Reference assignment not found: H GLU 95 - H ILE 93 Peak 7500 from nnoeabs.peaks (8.26, 8.26, 121.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H LYS 94 OK 100 100 - 100 Peak 7501 from nnoeabs.peaks (3.67, 8.26, 121.69 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 90 + H LYS 94 OK 100 100 100 100 4.0-5.0 10979=68, 4129/7507=62...(18) HA GLU 88 - H LYS 94 far 0 99 0 - 7.5-8.3 Violated in 14 structures by 0.21 A. Peak 7502 from nnoeabs.peaks (3.89, 8.26, 121.69 ppm; 3.64 A): 2 out of 7 assignments used, quality = 0.99: * HA ARG 91 + H LYS 94 OK 94 100 100 94 3.4-4.1 3.6/7473=41, 4021=37...(19) HA LYS 94 + H LYS 94 OK 90 90 100 100 2.8-2.8 3.0=100 HA ALA 89 - H LYS 94 far 0 98 0 - 6.5-7.4 HB2 SER 102 - H LYS 94 far 0 100 0 - 9.1-17.7 HA2 GLY 101 - H LYS 94 far 0 90 0 - 9.2-14.3 HA3 GLY 101 - H LYS 94 far 0 100 0 - 9.7-14.7 HA2 GLY 100 - H LYS 94 far 0 90 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 7503 from nnoeabs.peaks (8.14, 8.26, 121.69 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + H LYS 94 OK 100 100 100 100 4.0-4.7 7473=100, 7472/7498=83...(11) H GLY 100 - H LYS 94 far 0 100 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 7504 from nnoeabs.peaks (4.82, 8.26, 121.69 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 92 + H LYS 94 OK 100 100 100 100 4.0-4.9 2.9/7473=90, 3.6/7498=89...(9) Violated in 0 structures by 0.00 A. Peak 7505 from nnoeabs.peaks (8.36, 8.26, 121.69 ppm; 3.11 A): 2 out of 2 assignments used, quality = 1.00: H GLU 95 + H LYS 94 OK 99 100 100 99 2.7-3.0 7528=78, 7530/7513=38...(24) * H ILE 93 + H LYS 94 OK 98 100 100 98 2.5-2.8 7498=58, 7493/7507=37...(25) Violated in 0 structures by 0.00 A. Peak 7506 from nnoeabs.peaks (3.54, 8.26, 121.69 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + H LYS 94 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7507 from nnoeabs.peaks (1.80, 8.26, 121.69 ppm; 3.47 A): 1 out of 6 assignments used, quality = 0.99: * HB ILE 93 + H LYS 94 OK 99 100 100 99 2.4-2.9 4137=68, 7493/7498=43...(27) HB3 LYS 90 - H LYS 94 far 0 75 0 - 5.0-6.6 HB2 GLU 104 - H LYS 94 far 0 100 0 - 5.4-17.3 HB2 LYS 90 - H LYS 94 far 0 99 0 - 5.5-7.0 HB2 GLU 88 - H LYS 94 far 0 100 0 - 9.2-10.7 HB3 LEU 57 - H LYS 94 far 0 91 0 - 9.3-9.9 Violated in 0 structures by 0.00 A. Peak 7508 from nnoeabs.peaks (0.75, 8.26, 121.69 ppm; 3.47 A): 4 out of 7 assignments used, quality = 1.00: * QG2 ILE 93 + H LYS 94 OK 99 100 100 99 2.4-3.5 2.1/7507=66, 4.3=53...(30) QD1 ILE 93 + H LYS 94 OK 90 93 100 97 4.2-4.6 3.2/7507=50, 4163/3.6=35...(23) HG13 ILE 93 + H LYS 94 OK 83 100 90 93 4.5-5.1 3.0/7507=54, 4.6/7498=31...(20) QD1 LEU 27 + H LYS 94 OK 27 94 50 57 4.6-5.7 10140/3.6=14...(13) QG1 VAL 5 - H LYS 94 far 0 87 0 - 5.7-6.6 QD2 LEU 27 - H LYS 94 far 0 91 0 - 6.6-7.9 HG3 ARG 81 - H LYS 94 far 0 99 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 7509 from nnoeabs.peaks (2.04, 8.26, 121.69 ppm; 3.12 A): 2 out of 8 assignments used, quality = 0.98: HB3 LYS 94 + H LYS 94 OK 95 96 100 99 2.1-3.6 1.8/7513=69, 4.0=46...(25) HB2 MET 21 + H LYS 94 OK 63 98 75 87 3.8-6.4 3.0/8534=26...(20) ! HG12 ILE 93 - H LYS 94 far 5 100 5 - 4.6-5.3 HB2 GLU 98 - H LYS 94 far 0 100 0 - 6.9-8.2 HB3 GLU 98 - H LYS 94 far 0 100 0 - 8.2-9.6 HB2 GLU 99 - H LYS 94 far 0 100 0 - 8.3-10.6 HB3 GLU 99 - H LYS 94 far 0 100 0 - 8.6-10.6 HB3 GLU 17 - H LYS 94 far 0 75 0 - 8.7-10.5 Violated in 15 structures by 0.19 A. Peak 7510 from nnoeabs.peaks (0.74, 8.26, 121.69 ppm; 3.47 A): 4 out of 7 assignments used, quality = 1.00: QG2 ILE 93 + H LYS 94 OK 99 100 100 99 2.4-3.5 2.1/7507=66, 4.3=53...(30) * HG13 ILE 93 + H LYS 94 OK 83 100 90 93 4.5-5.1 3.0/7507=54, 4.6/7498=31...(20) QD1 ILE 93 + H LYS 94 OK 80 84 100 96 4.2-4.6 3.2/7507=50, 4163/3.6=31...(23) QD1 LEU 27 + H LYS 94 OK 22 85 50 52 4.6-5.7 10140/3.6=12...(13) QG1 VAL 5 - H LYS 94 far 0 95 0 - 5.7-6.6 QD2 LEU 27 - H LYS 94 far 0 97 0 - 6.6-7.9 HG3 ARG 81 - H LYS 94 far 0 100 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 7511 from nnoeabs.peaks (0.77, 8.26, 121.69 ppm; 3.70 A): 4 out of 6 assignments used, quality = 1.00: * QD1 ILE 93 + H LYS 94 OK 99 100 100 99 4.2-4.6 3.2/7507=57, 4163/3.6=45...(23) QG2 ILE 93 + H LYS 94 OK 93 93 100 100 2.4-3.5 2.1/7507=73, 4.3=64...(31) HG13 ILE 93 + H LYS 94 OK 80 84 100 95 4.5-5.1 3.0/7507=60, 4.6/7498=35...(20) QD1 LEU 27 + H LYS 94 OK 46 100 70 66 4.6-5.7 10140/3.6=18...(14) QD2 LEU 57 - H LYS 94 far 0 84 0 - 6.5-7.1 HG3 ARG 81 - H LYS 94 far 0 77 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 7512 from nnoeabs.peaks (3.87, 8.26, 121.69 ppm; 3.30 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 94 + H LYS 94 OK 100 100 100 100 2.8-2.8 3.0=100 HA ARG 91 + H LYS 94 OK 78 90 100 87 3.4-4.1 3.6/7473=33...(19) HA ALA 22 - H LYS 94 far 0 59 0 - 5.5-7.2 HA ALA 89 - H LYS 94 far 0 68 0 - 6.5-7.4 HB2 SER 102 - H LYS 94 far 0 81 0 - 9.1-17.7 HA2 GLY 101 - H LYS 94 far 0 100 0 - 9.2-14.3 HA3 GLY 101 - H LYS 94 far 0 82 0 - 9.7-14.7 HA2 GLY 100 - H LYS 94 far 0 100 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 7513 from nnoeabs.peaks (1.92, 8.26, 121.69 ppm; 3.11 A): 1 out of 4 assignments used, quality = 0.98: * HB2 LYS 94 + H LYS 94 OK 98 100 100 98 2.1-3.3 4185=65, 1.8/7514=45...(22) HB2 GLU 17 - H LYS 94 far 0 93 0 - 8.5-11.1 HB3 LYS 20 - H LYS 94 far 0 98 0 - 9.4-11.3 HB2 LYS 20 - H LYS 94 far 0 71 0 - 9.6-12.6 Violated in 1 structures by 0.01 A. Peak 7514 from nnoeabs.peaks (2.02, 8.26, 121.69 ppm; 3.12 A): 2 out of 8 assignments used, quality = 0.99: * HB3 LYS 94 + H LYS 94 OK 99 100 100 99 2.1-3.6 1.8/7513=69, 4197=48...(25) HB2 MET 21 + H LYS 94 OK 52 81 75 85 3.8-6.4 3.0/8534=26, 4197=19...(20) HG12 ILE 93 - H LYS 94 far 0 96 0 - 4.6-5.3 HB2 GLU 98 - H LYS 94 far 0 90 0 - 6.9-8.2 HB3 GLU 98 - H LYS 94 far 0 91 0 - 8.2-9.6 HB2 GLU 99 - H LYS 94 far 0 91 0 - 8.3-10.6 HB3 GLU 99 - H LYS 94 far 0 96 0 - 8.6-10.6 HB3 GLU 17 - H LYS 94 far 0 96 0 - 8.7-10.5 Violated in 15 structures by 0.19 A. Peak 7515 from nnoeabs.peaks (1.34, 8.26, 121.69 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + H LYS 94 OK 100 100 100 100 3.3-4.6 2.9/7513=80, 4208=61...(28) QB ALA 25 + H LYS 94 OK 91 100 100 91 4.6-5.6 10334/3.0=41...(15) QB ALA 89 - H LYS 94 far 0 100 0 - 6.6-7.2 HB3 LEU 27 - H LYS 94 far 0 100 0 - 8.4-9.8 Violated in 6 structures by 0.03 A. Peak 7516 from nnoeabs.peaks (1.38, 8.26, 121.69 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 94 + H LYS 94 OK 100 100 100 100 1.7-4.4 2.9/7513=81, 4175/3.0=72...(27) HB3 LEU 27 - H LYS 94 far 0 63 0 - 8.4-9.8 Violated in 4 structures by 0.03 A. Peak 7517 from nnoeabs.peaks (1.62, 8.26, 121.69 ppm; 4.53 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 94 + H LYS 94 OK 100 100 100 100 2.7-4.6 3.5/7513=80, 3.0/7516=70...(29) HD3 LYS 94 + H LYS 94 OK 84 84 100 100 2.3-4.5 3.5/7513=80, 3.0/7516=70...(30) HG LEU 27 - H LYS 94 far 0 84 0 - 6.9-8.6 HG2 LYS 24 - H LYS 94 far 0 61 0 - 7.4-10.6 HB2 LEU 103 - H LYS 94 far 0 59 0 - 7.8-17.0 HB3 LEU 29 - H LYS 94 far 0 81 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 7518 from nnoeabs.peaks (1.60, 8.26, 121.69 ppm; 4.46 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 94 + H LYS 94 OK 100 100 100 100 2.3-4.5 3.5/7513=78, 3.0/7516=68...(29) HD2 LYS 94 + H LYS 94 OK 84 84 100 100 2.7-4.6 3.5/7513=78, 3.0/7516=68...(28) HG3 LYS 90 - H LYS 94 far 0 97 0 - 6.2-8.0 HG LEU 27 - H LYS 94 far 0 100 0 - 6.9-8.6 HG2 LYS 24 - H LYS 94 far 0 98 0 - 7.4-10.6 HB2 LEU 103 - H LYS 94 far 0 98 0 - 7.8-17.0 HG LEU 103 - H LYS 94 far 0 96 0 - 8.2-17.6 HB3 LEU 29 - H LYS 94 far 0 100 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 7519 from nnoeabs.peaks (2.92, 8.26, 121.69 ppm; 4.76 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 94 + H LYS 94 OK 100 100 100 100 4.3-5.8 4.8/7513=64, 3.9/7516=63...(17) HE3 LYS 94 + H LYS 94 OK 99 99 100 100 4.3-5.9 4.8/7513=64, 3.9/7516=63...(15) HG2 MET 21 + H LYS 94 OK 92 92 100 100 4.0-5.2 8534=89, 3920/7501=58...(22) HE3 LYS 90 - H LYS 94 far 0 96 0 - 7.4-10.0 Violated in 0 structures by 0.00 A. Peak 7520 from nnoeabs.peaks (2.91, 8.26, 121.69 ppm; 4.76 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 94 + H LYS 94 OK 100 100 100 100 4.3-5.9 4.8/7513=64, 3.9/7516=63...(15) HE2 LYS 94 + H LYS 94 OK 99 99 100 100 4.3-5.8 4.8/7513=64, 3.9/7516=63...(17) HG2 MET 21 + H LYS 94 OK 79 79 100 100 4.0-5.2 8534=72, 3920/7501=52...(22) HE3 LYS 90 - H LYS 94 far 0 85 0 - 7.4-10.0 Violated in 0 structures by 0.00 A. Peak 7521 from nnoeabs.peaks (8.36, 8.26, 121.69 ppm; 3.11 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 95 + H LYS 94 OK 99 100 100 99 2.7-3.0 7528=78, 7530/7513=38...(24) H ILE 93 + H LYS 94 OK 98 100 100 98 2.5-2.8 7498=58, 7493/7507=37...(25) Violated in 0 structures by 0.00 A. Peak 7522 from nnoeabs.peaks (8.21, 8.26, 121.69 ppm; 3.22 A): 1 out of 4 assignments used, quality = 0.96: * H PHE 96 + H LYS 94 OK 96 100 100 96 3.7-4.1 7548=59, 7547/3.6=33...(16) H SER 97 - H LYS 94 poor 20 100 20 - 4.6-5.0 H GLU 104 - H LYS 94 far 0 100 0 - 6.6-16.2 H LEU 27 - H LYS 94 far 0 79 0 - 8.8-10.3 Violated in 20 structures by 0.69 A. Peak 7523 from nnoeabs.peaks (8.36, 8.36, 118.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 95 + H GLU 95 OK 100 100 - 100 Peak 7524 from nnoeabs.peaks (3.89, 8.36, 118.50 ppm; 4.21 A): 2 out of 7 assignments used, quality = 0.98: HA LYS 94 + H GLU 95 OK 90 90 100 100 3.5-3.6 3.6=100 * HA ARG 91 + H GLU 95 OK 80 100 100 80 4.2-5.3 7502/7528=34...(15) HB2 SER 102 - H GLU 95 far 0 100 0 - 7.0-16.0 HA2 GLY 101 - H GLU 95 far 0 90 0 - 8.0-12.8 HA ALA 89 - H GLU 95 far 0 98 0 - 8.0-8.9 HA3 GLY 101 - H GLU 95 far 0 100 0 - 8.4-13.4 HA2 GLY 100 - H GLU 95 far 0 90 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 7525 from nnoeabs.peaks (4.82, 8.36, 118.50 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.99: * HA TRP 92 + H GLU 95 OK 99 100 100 99 3.3-4.0 4093/7540=62...(9) Violated in 0 structures by 0.00 A. Peak 7526 from nnoeabs.peaks (8.36, 8.36, 118.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H GLU 95 + H GLU 95 OK 100 100 - 100 Reference assignment not found: H ILE 93 - H GLU 95 Peak 7527 from nnoeabs.peaks (3.54, 8.36, 118.50 ppm; 5.59 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + H GLU 95 OK 100 100 100 100 4.4-5.1 3.6/7528=94, 7547/4.5=75...(14) Violated in 0 structures by 0.00 A. Peak 7528 from nnoeabs.peaks (8.26, 8.36, 118.50 ppm; 3.38 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 94 + H GLU 95 OK 99 100 100 99 2.7-3.0 7521=50, 7513/7530=45...(24) H LEU 103 - H GLU 95 far 0 88 0 - 6.9-13.9 Violated in 0 structures by 0.00 A. Peak 7529 from nnoeabs.peaks (3.87, 8.36, 118.50 ppm; 3.96 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 94 + H GLU 95 OK 100 100 100 100 3.5-3.6 3.6=100 HA ARG 91 + H GLU 95 OK 66 90 100 73 4.2-5.3 7512/7528=28...(15) HB2 SER 102 - H GLU 95 far 0 81 0 - 7.0-16.0 HA ALA 22 - H GLU 95 far 0 59 0 - 7.7-9.5 HA2 GLY 101 - H GLU 95 far 0 100 0 - 8.0-12.8 HA ALA 89 - H GLU 95 far 0 68 0 - 8.0-8.9 HA3 GLY 101 - H GLU 95 far 0 82 0 - 8.4-13.4 HA2 GLY 100 - H GLU 95 far 0 100 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 7530 from nnoeabs.peaks (1.92, 8.36, 118.50 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + H GLU 95 OK 100 100 100 100 2.2-4.1 1.8/7531=83...(14) Violated in 14 structures by 0.16 A. Peak 7531 from nnoeabs.peaks (2.02, 8.36, 118.50 ppm; 3.40 A): 1 out of 7 assignments used, quality = 0.98: * HB3 LYS 94 + H GLU 95 OK 98 100 100 98 2.5-3.6 1.8/7530=61, 4207=41...(16) HB2 GLU 98 - H GLU 95 far 0 90 0 - 5.2-6.2 HG12 ILE 93 - H GLU 95 far 0 96 0 - 6.3-7.6 HB2 GLU 99 - H GLU 95 far 0 91 0 - 6.3-8.4 HB3 GLU 99 - H GLU 95 far 0 96 0 - 6.4-8.2 HB2 MET 21 - H GLU 95 far 0 81 0 - 6.6-9.3 HB3 GLU 98 - H GLU 95 far 0 91 0 - 6.8-7.8 Violated in 8 structures by 0.03 A. Peak 7532 from nnoeabs.peaks (1.34, 8.36, 118.50 ppm; 4.31 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + H GLU 95 OK 100 100 100 100 2.6-4.6 2.9/7531=79, 2.9/7530=73...(18) QB ALA 25 - H GLU 95 far 10 100 10 - 5.7-6.7 QB ALA 89 - H GLU 95 far 0 100 0 - 8.1-9.0 HB3 LEU 27 - H GLU 95 far 0 100 0 - 9.8-11.3 Violated in 2 structures by 0.02 A. Peak 7533 from nnoeabs.peaks (1.38, 8.36, 118.50 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * HG3 LYS 94 + H GLU 95 OK 100 100 100 100 1.9-4.7 2.9/7531=85, 4.9=85...(17) HB3 LEU 27 - H GLU 95 far 0 63 0 - 9.8-11.3 Violated in 6 structures by 0.02 A. Peak 7534 from nnoeabs.peaks (1.62, 8.36, 118.50 ppm; 4.77 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 94 + H GLU 95 OK 100 100 100 100 4.2-5.4 3.5/7531=81, 3.5/7530=76...(17) HD3 LYS 94 + H GLU 95 OK 84 84 100 100 3.9-5.2 3.5/7531=81, 3.5/7530=76...(16) HB2 LEU 103 - H GLU 95 far 0 59 0 - 6.5-15.3 HG LEU 27 - H GLU 95 far 0 84 0 - 8.5-10.0 HG2 LYS 24 - H GLU 95 far 0 61 0 - 9.2-12.3 HB2 ARG 79 - H GLU 95 far 0 87 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 7535 from nnoeabs.peaks (1.60, 8.36, 118.50 ppm; 4.72 A): 2 out of 8 assignments used, quality = 1.00: * HD3 LYS 94 + H GLU 95 OK 100 100 100 100 3.9-5.2 3.5/7531=80, 3.5/7530=74...(16) HD2 LYS 94 + H GLU 95 OK 84 84 100 100 4.2-5.4 3.5/7531=80, 3.5/7530=74...(17) HB2 LEU 103 - H GLU 95 far 0 98 0 - 6.5-15.3 HG LEU 103 - H GLU 95 far 0 96 0 - 6.7-15.9 HG3 LYS 90 - H GLU 95 far 0 97 0 - 8.3-10.5 HG LEU 27 - H GLU 95 far 0 100 0 - 8.5-10.0 HG2 LYS 24 - H GLU 95 far 0 98 0 - 9.2-12.3 HB2 ARG 79 - H GLU 95 far 0 100 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 7538 from nnoeabs.peaks (4.02, 8.36, 118.50 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 95 + H GLU 95 OK 100 100 100 100 2.8-2.8 3.0=100 HB3 SER 97 - H GLU 95 far 0 59 0 - 5.2-6.5 Violated in 0 structures by 0.00 A. Peak 7539 from nnoeabs.peaks (2.20, 8.36, 118.50 ppm; 3.22 A): 1 out of 3 assignments used, quality = 0.97: * HB2 GLU 95 + H GLU 95 OK 97 100 100 97 2.1-2.7 4.0=51, 2.9/7542=48...(16) HG2 GLU 99 - H GLU 95 far 0 95 0 - 5.3-8.1 HG2 GLU 98 - H GLU 95 far 0 99 0 - 6.2-7.4 Violated in 0 structures by 0.00 A. Peak 7540 from nnoeabs.peaks (2.16, 8.36, 118.50 ppm; 3.20 A): 1 out of 3 assignments used, quality = 0.95: * HB3 GLU 95 + H GLU 95 OK 95 100 100 95 3.4-3.6 4.0=50, 2.9/7542=48...(14) HG2 GLU 104 - H GLU 95 far 5 99 5 - 3.9-15.7 HG2 GLU 88 - H GLU 95 far 0 95 0 - 9.4-11.2 Violated in 20 structures by 0.35 A. Peak 7541 from nnoeabs.peaks (2.27, 8.36, 118.50 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 95 + H GLU 95 OK 100 100 100 100 1.9-3.8 1.8/7542=85...(16) HD3 ARG 81 - H GLU 95 far 0 63 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 7542 from nnoeabs.peaks (2.52, 8.36, 118.50 ppm; 3.39 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 95 + H GLU 95 OK 100 100 100 100 2.8-3.6 4307=87, 1.8/7541=60...(15) HD2 ARG 91 - H GLU 95 far 0 59 0 - 6.6-9.4 HB2 ASP 87 - H GLU 95 far 0 81 0 - 9.5-11.4 HB3 ASP 87 - H GLU 95 far 0 81 0 - 9.5-11.7 Violated in 3 structures by 0.01 A. Peak 7543 from nnoeabs.peaks (8.21, 8.36, 118.50 ppm; 3.30 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 96 + H GLU 95 OK 97 100 100 97 2.5-2.8 7550=42, 7552/7539=37...(17) H SER 97 + H GLU 95 OK 88 100 100 88 4.1-4.4 7566/3.6=31, 7567=27...(15) H GLU 104 - H GLU 95 far 0 100 0 - 5.3-14.5 Violated in 0 structures by 0.00 A. Peak 7544 from nnoeabs.peaks (8.22, 8.36, 118.50 ppm; 3.30 A): 2 out of 3 assignments used, quality = 1.00: H PHE 96 + H GLU 95 OK 97 100 100 97 2.5-2.8 7550=42, 7552/7539=37...(17) * H SER 97 + H GLU 95 OK 88 100 100 88 4.1-4.4 7566/3.6=31, 7567=27...(15) H GLU 104 - H GLU 95 far 0 100 0 - 5.3-14.5 Violated in 0 structures by 0.00 A. Peak 7545 from nnoeabs.peaks (8.21, 8.21, 120.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H PHE 96 + H PHE 96 OK 100 100 - 100 H GLU 104 + H GLU 104 OK 96 96 - 100 Peak 7546 from nnoeabs.peaks (4.82, 8.21, 120.37 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.97: * HA TRP 92 + H PHE 96 OK 97 100 100 97 4.3-4.7 4093/4.6=48...(7) HA TRP 92 - H GLU 104 far 14 96 15 - 2.8-13.6 HA VAL 83 - H GLU 104 far 0 83 0 - 9.4-20.4 Violated in 19 structures by 0.18 A. Peak 7547 from nnoeabs.peaks (3.54, 8.21, 120.37 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 93 + H PHE 96 OK 100 100 100 100 3.3-3.7 3.6/7522=63...(14) HA ILE 93 - H GLU 104 far 0 96 0 - 6.9-14.7 Violated in 0 structures by 0.00 A. Peak 7548 from nnoeabs.peaks (8.26, 8.21, 120.37 ppm; 2.90 A): 2 out of 5 assignments used, quality = 0.98: * H LYS 94 + H PHE 96 OK 95 100 100 95 3.7-4.1 7522=73, 3.6/7547=26...(16) H LEU 103 + H GLU 104 OK 65 81 100 79 2.6-4.4 3.0/7657=40, 7654=30...(8) H LEU 103 - H PHE 96 far 0 88 0 - 5.6-12.2 H LYS 94 - H GLU 104 far 0 96 0 - 6.6-16.2 H LEU 27 - H PHE 96 far 0 88 0 - 9.6-11.1 Violated in 18 structures by 0.52 A. Peak 7549 from nnoeabs.peaks (3.87, 8.21, 120.37 ppm; 4.99 A): 2 out of 15 assignments used, quality = 1.00: * HA LYS 94 + H PHE 96 OK 100 100 100 100 3.7-4.3 3.0/7522=94...(13) HB2 SER 102 + H GLU 104 OK 34 74 65 71 3.1-7.7 4.5/7654=61...(3) HA3 GLY 101 - H PHE 96 far 8 82 10 - 6.0-11.1 HB2 SER 102 - H PHE 96 far 8 81 10 - 5.7-13.9 HA2 GLY 101 - H PHE 96 far 5 100 5 - 5.6-10.8 HA2 GLY 101 - H GLU 104 far 5 96 5 - 6.1-10.6 HA ARG 91 - H PHE 96 far 0 90 0 - 6.5-7.2 HA2 GLY 100 - H PHE 96 far 0 100 0 - 6.6-9.1 HA ARG 91 - H GLU 104 far 0 83 0 - 7.0-17.8 HA3 GLY 101 - H GLU 104 far 0 75 0 - 7.1-9.5 HA ALA 22 - H PHE 96 far 0 59 0 - 7.1-8.6 HA ALA 89 - H GLU 104 far 0 61 0 - 7.8-18.7 HA2 GLY 100 - H GLU 104 far 0 96 0 - 7.9-12.9 HA ALA 89 - H PHE 96 far 0 68 0 - 8.4-8.8 HA LYS 94 - H GLU 104 far 0 96 0 - 8.6-16.8 Violated in 0 structures by 0.00 A. Peak 7550 from nnoeabs.peaks (8.36, 8.21, 120.37 ppm; 3.54 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 95 + H PHE 96 OK 99 100 100 99 2.5-2.8 7528/7522=54, 7543=52...(17) H ILE 93 + H PHE 96 OK 94 100 100 94 4.5-4.9 7498/7522=48...(12) H GLU 95 - H GLU 104 far 0 96 0 - 5.3-14.5 H ILE 93 - H GLU 104 far 0 96 0 - 6.2-15.9 H TYR 4 - H PHE 96 far 0 100 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 7551 from nnoeabs.peaks (4.02, 8.21, 120.37 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 95 + H PHE 96 OK 100 100 100 100 3.4-3.5 3.6=100 HB3 SER 97 + H PHE 96 OK 52 59 100 87 4.1-5.2 1.8/4350=37, 4.5/7563=32...(11) HA GLU 95 - H GLU 104 far 0 96 0 - 6.3-14.1 Violated in 0 structures by 0.00 A. Peak 7552 from nnoeabs.peaks (2.20, 8.21, 120.37 ppm; 3.63 A): 1 out of 5 assignments used, quality = 0.95: * HB2 GLU 95 + H PHE 96 OK 95 100 100 95 2.9-4.1 4.6=49, 7539/4.5=39...(9) HG2 GLU 99 - H PHE 96 poor 17 95 25 71 4.3-6.1 11025/3.0=30...(12) HB2 GLU 95 - H GLU 104 far 10 96 10 - 3.6-12.6 HG2 GLU 99 - H GLU 104 far 0 89 0 - 5.2-10.5 HG2 GLU 98 - H PHE 96 far 0 99 0 - 6.2-7.4 Violated in 4 structures by 0.08 A. Peak 7553 from nnoeabs.peaks (2.16, 8.21, 120.37 ppm; 3.63 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 95 + H PHE 96 OK 95 100 100 95 3.6-4.2 4.6=49, 7540/4.5=39...(9) HG2 GLU 104 + H GLU 104 OK 91 93 100 98 1.9-4.4 3.0/7664=58, 3.0/7665=53...(7) HB3 GLU 95 - H GLU 104 poor 19 96 20 - 3.7-12.0 HG2 GLU 104 - H PHE 96 far 0 99 0 - 5.7-14.9 HG2 GLU 88 - H GLU 104 far 0 89 0 - 8.9-20.3 Violated in 0 structures by 0.00 A. Peak 7554 from nnoeabs.peaks (2.27, 8.21, 120.37 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 95 + H PHE 96 OK 100 100 100 100 2.6-5.5 4302/7552=80...(9) HG2 GLU 95 - H GLU 104 poor 19 96 20 - 4.1-14.4 HD3 ARG 81 - H GLU 104 poor 17 57 30 - 3.8-13.6 HD3 ARG 81 - H PHE 96 far 0 63 0 - 9.5-12.6 Violated in 10 structures by 0.09 A. Peak 7555 from nnoeabs.peaks (2.52, 8.21, 120.37 ppm; 5.41 A): 1 out of 6 assignments used, quality = 1.00: * HG3 GLU 95 + H PHE 96 OK 100 100 100 100 2.3-5.2 1.8/7554=91, 4308/3.6=87...(9) HG3 GLU 95 - H GLU 104 lone 0 96 25 2 4.3-14.7 HD2 ARG 91 - H PHE 96 far 0 59 0 - 8.8-11.7 HD2 ARG 91 - H GLU 104 far 0 53 0 - 9.1-19.4 HG3 GLN 72 - H GLU 104 far 0 93 0 - 9.4-20.0 HB3 ASP 87 - H GLU 104 far 0 74 0 - 9.9-22.4 Violated in 0 structures by 0.00 A. Peak 7556 from nnoeabs.peaks (4.51, 8.21, 120.37 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA PHE 96 + H PHE 96 OK 100 100 100 100 2.8-2.9 3.0=100 HA PHE 96 - H GLU 104 far 0 96 0 - 5.8-10.7 Violated in 0 structures by 0.00 A. Peak 7557 from nnoeabs.peaks (3.10, 8.21, 120.37 ppm; 3.31 A): 1 out of 12 assignments used, quality = 0.98: * HB2 PHE 96 + H PHE 96 OK 98 100 100 98 2.3-2.7 1.8/7558=70, 4.1=54...(14) HB2 HIS 105 - H GLU 104 poor 15 77 20 - 4.4-7.5 HB3 HIS 105 - H GLU 104 poor 13 63 20 - 3.9-7.7 HB2 TRP 92 - H GLU 104 far 5 96 5 - 3.8-13.9 HB2 TRP 92 - H PHE 96 far 0 100 0 - 5.2-6.3 HD3 ARG 79 - H GLU 104 far 0 79 0 - 6.2-12.3 HB3 HIS 105 - H PHE 96 far 0 70 0 - 6.5-19.3 HD2 ARG 79 - H PHE 96 far 0 82 0 - 6.7-11.8 HD2 ARG 79 - H GLU 104 far 0 75 0 - 6.7-11.3 HB2 PHE 96 - H GLU 104 far 0 96 0 - 6.9-12.5 HB2 HIS 105 - H PHE 96 far 0 84 0 - 7.2-18.6 HD3 ARG 79 - H PHE 96 far 0 85 0 - 7.5-12.2 Violated in 0 structures by 0.00 A. Peak 7558 from nnoeabs.peaks (3.47, 8.21, 120.37 ppm; 3.33 A): 1 out of 2 assignments used, quality = 0.98: * HB3 PHE 96 + H PHE 96 OK 98 100 100 98 2.5-2.9 1.8/7557=71, 4.1=55...(12) HB3 PHE 96 - H GLU 104 far 0 96 0 - 5.5-11.3 Violated in 0 structures by 0.00 A. Peak 7559 from nnoeabs.peaks (7.03, 8.21, 120.37 ppm; 4.11 A): 1 out of 8 assignments used, quality = 1.00: * QD PHE 96 + H PHE 96 OK 100 100 100 100 4.1-4.2 2.4/7557=83, 2.4/7558=83...(16) QD PHE 96 - H GLU 104 far 5 96 5 - 5.2-9.5 HZ3 TRP 92 - H GLU 104 far 0 65 0 - 6.6-16.0 HZ PHE 96 - H PHE 96 far 0 73 0 - 7.8-7.9 HZ PHE 96 - H GLU 104 far 0 67 0 - 8.5-12.3 HE ARG 91 - H GLU 104 far 0 61 0 - 8.6-21.4 HE ARG 91 - H PHE 96 far 0 68 0 - 9.7-12.0 HZ3 TRP 92 - H PHE 96 far 0 71 0 - 9.9-10.5 Violated in 20 structures by 0.09 A. Peak 7562 from nnoeabs.peaks (8.22, 8.21, 120.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: H PHE 96 + H PHE 96 OK 100 100 - 100 H GLU 104 + H GLU 104 OK 96 96 - 100 Reference assignment not found: H SER 97 - H PHE 96 Peak 7563 from nnoeabs.peaks (7.66, 8.21, 120.37 ppm; 5.76 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + H PHE 96 OK 100 100 100 100 3.7-4.7 7585/3.0=84, 7579/4.6=83...(12) H GLU 98 - H GLU 104 far 0 96 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 7564 from nnoeabs.peaks (8.22, 8.22, 111.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 97 + H SER 97 OK 100 100 - 100 Peak 7565 from nnoeabs.peaks (3.54, 8.22, 111.97 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + H SER 97 OK 100 100 100 100 3.8-4.8 4325/7571=61...(17) Violated in 12 structures by 0.06 A. Peak 7566 from nnoeabs.peaks (3.87, 8.22, 111.97 ppm; 4.10 A): 1 out of 8 assignments used, quality = 0.98: * HA LYS 94 + H SER 97 OK 98 100 100 98 3.1-3.7 4355/4.1=51, 4349/4.1=47...(14) HA2 GLY 100 - H SER 97 poor 10 100 20 52 5.3-7.9 ~7616=25, ~4348=18...(5) HA ALA 22 - H SER 97 far 0 59 0 - 6.2-7.1 HA2 GLY 101 - H SER 97 far 0 100 0 - 6.2-9.8 HA3 GLY 101 - H SER 97 far 0 82 0 - 6.2-9.9 HB2 SER 102 - H SER 97 far 0 81 0 - 7.5-13.1 HA ARG 91 - H SER 97 far 0 90 0 - 7.9-8.8 HA ALA 89 - H SER 97 far 0 68 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 7567 from nnoeabs.peaks (8.36, 8.22, 111.97 ppm; 4.69 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 95 + H SER 97 OK 99 100 100 99 4.1-4.4 3.6/7566=61, 7544=48...(16) H ILE 93 + H SER 97 OK 29 100 30 95 6.0-6.5 3.0/7565=68...(12) H TYR 4 - H SER 97 far 0 100 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 7568 from nnoeabs.peaks (4.02, 8.22, 111.97 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.98: * HA GLU 95 + H SER 97 OK 95 100 100 95 4.1-4.5 11014/7566=44...(14) HB3 SER 97 + H SER 97 OK 59 59 100 100 2.1-3.0 4.1=97, 1.8/4350=50...(15) Violated in 0 structures by 0.00 A. Peak 7569 from nnoeabs.peaks (8.21, 8.22, 111.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: H SER 97 + H SER 97 OK 100 100 - 100 Reference assignment not found: H PHE 96 - H SER 97 Peak 7570 from nnoeabs.peaks (4.51, 8.22, 111.97 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 96 + H SER 97 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 7571 from nnoeabs.peaks (3.10, 8.22, 111.97 ppm; 3.61 A): 1 out of 7 assignments used, quality = 0.98: * HB2 PHE 96 + H SER 97 OK 98 100 100 98 2.6-2.9 4.2=65, 1.8/7572=62...(15) HB2 TRP 92 - H SER 97 far 0 100 0 - 7.3-8.3 HD2 ARG 79 - H SER 97 far 0 82 0 - 7.3-13.0 HB3 HIS 105 - H SER 97 far 0 70 0 - 7.6-20.5 HB3 ASN 26 - H SER 97 far 0 73 0 - 7.9-9.2 HB2 HIS 105 - H SER 97 far 0 84 0 - 8.5-19.9 HD3 ARG 79 - H SER 97 far 0 85 0 - 8.6-13.2 Violated in 0 structures by 0.00 A. Peak 7572 from nnoeabs.peaks (3.47, 8.22, 111.97 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + H SER 97 OK 100 100 100 100 3.8-4.1 4.2=89, 1.8/7571=85...(12) Violated in 3 structures by 0.00 A. Peak 7573 from nnoeabs.peaks (7.03, 8.22, 111.97 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * QD PHE 96 + H SER 97 OK 100 100 100 100 3.4-4.3 4.5=86, 2.4/7571=81...(16) HZ PHE 96 - H SER 97 far 0 73 0 - 6.8-7.9 Violated in 1 structures by 0.00 A. Peak 7576 from nnoeabs.peaks (3.82, 8.22, 111.97 ppm; 3.37 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 97 + H SER 97 OK 100 100 100 100 2.8-2.9 3.0=100 HB3 SER 102 - H SER 97 far 0 100 0 - 6.1-13.3 HA ALA 22 - H SER 97 far 0 99 0 - 6.2-7.1 Violated in 0 structures by 0.00 A. Peak 7577 from nnoeabs.peaks (3.95, 8.22, 111.97 ppm; 3.17 A): 2 out of 2 assignments used, quality = 0.97: * HB2 SER 97 + H SER 97 OK 92 100 100 92 2.2-3.1 4.1=48, 1.8/4356=37...(12) HB3 SER 97 + H SER 97 OK 61 68 100 90 2.1-3.0 4.1=48, 1.8/4350=33...(13) Violated in 0 structures by 0.00 A. Peak 7578 from nnoeabs.peaks (3.98, 8.22, 111.97 ppm; 3.17 A): 3 out of 3 assignments used, quality = 0.99: * HB3 SER 97 + H SER 97 OK 94 100 100 94 2.1-3.0 4.1=48, 1.8/4350=33...(14) HB2 SER 97 + H SER 97 OK 61 68 100 90 2.2-3.1 4.1=48, 1.8/4356=37...(12) HA GLU 95 + H SER 97 OK 39 59 100 65 4.1-4.5 3.0/7544=23, 3.0/4291=15...(10) Violated in 0 structures by 0.00 A. Peak 7579 from nnoeabs.peaks (7.66, 8.22, 111.97 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.96: * H GLU 98 + H SER 97 OK 96 100 100 96 2.3-2.9 7586=54, 7595/7580=31...(19) Violated in 0 structures by 0.00 A. Peak 7580 from nnoeabs.peaks (7.79, 8.22, 111.97 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 99 + H SER 97 OK 100 100 100 100 3.8-4.6 7595/7579=83...(15) H GLU 28 - H SER 97 far 0 100 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 7581 from nnoeabs.peaks (7.66, 7.66, 120.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + H GLU 98 OK 100 100 - 100 Peak 7582 from nnoeabs.peaks (3.87, 7.66, 120.59 ppm; 4.50 A): 2 out of 7 assignments used, quality = 0.98: * HA LYS 94 + H GLU 98 OK 97 100 100 97 3.3-4.9 7566/7579=58...(10) HA2 GLY 100 + H GLU 98 OK 40 100 50 79 5.3-6.8 2.9/7596=49, ~11026=33...(6) HA3 GLY 101 - H GLU 98 far 0 82 0 - 7.0-9.9 HA2 GLY 101 - H GLU 98 far 0 100 0 - 7.3-9.9 HA ALA 22 - H GLU 98 far 0 59 0 - 7.4-9.0 HB2 SER 102 - H GLU 98 far 0 81 0 - 7.7-12.3 HA ARG 91 - H GLU 98 far 0 90 0 - 8.8-9.8 Violated in 2 structures by 0.00 A. Peak 7583 from nnoeabs.peaks (4.02, 7.66, 120.59 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.97: * HA GLU 95 + H GLU 98 OK 93 100 100 93 3.3-4.3 4281=44, 7568/7579=32...(11) HB3 SER 97 + H GLU 98 OK 57 59 100 97 2.1-3.8 4.5=68, 4.1/7579=52...(14) Violated in 0 structures by 0.00 A. Peak 7584 from nnoeabs.peaks (8.21, 7.66, 120.59 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: H SER 97 + H GLU 98 OK 99 100 100 99 2.3-2.9 7579=93, 7580/7595=29...(19) * H PHE 96 + H GLU 98 OK 85 100 100 85 3.7-4.7 4.6/7579=30, 3.0/7585=29...(11) H LEU 27 - H GLU 98 far 0 79 0 - 8.7-10.1 H GLU 104 - H GLU 98 far 0 100 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 7585 from nnoeabs.peaks (4.51, 7.66, 120.59 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.98: * HA PHE 96 + H GLU 98 OK 98 100 100 98 3.9-5.3 3.6/7579=83...(7) Violated in 10 structures by 0.07 A. Peak 7586 from nnoeabs.peaks (8.22, 7.66, 120.59 ppm; 3.37 A): 2 out of 4 assignments used, quality = 1.00: * H SER 97 + H GLU 98 OK 99 100 100 99 2.3-2.9 7579=93, 7580/7595=29...(19) H PHE 96 + H GLU 98 OK 85 100 100 85 3.7-4.7 4.6/7579=30, 3.0/7585=29...(11) H LEU 27 - H GLU 98 far 0 85 0 - 8.7-10.1 H GLU 104 - H GLU 98 far 0 100 0 - 9.6-15.3 Violated in 0 structures by 0.00 A. Peak 7587 from nnoeabs.peaks (3.82, 7.66, 120.59 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 97 + H GLU 98 OK 100 100 100 100 3.4-3.6 3.6=100 HB3 SER 102 - H GLU 98 far 0 100 0 - 6.5-12.3 HA ALA 22 - H GLU 98 far 0 99 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 7588 from nnoeabs.peaks (3.95, 7.66, 120.59 ppm; 3.71 A): 2 out of 2 assignments used, quality = 0.97: * HB2 SER 97 + H GLU 98 OK 93 100 100 93 2.4-3.8 4.5=55, 4.1/7579=45...(11) HB3 SER 97 + H GLU 98 OK 62 68 100 92 2.1-3.8 4.5=55, 4.1/7579=45...(13) Violated in 0 structures by 0.00 A. Peak 7589 from nnoeabs.peaks (3.98, 7.66, 120.59 ppm; 3.82 A): 3 out of 3 assignments used, quality = 0.99: * HB3 SER 97 + H GLU 98 OK 97 100 100 97 2.1-3.8 4.5=60, 4.1/7579=48...(14) HB2 SER 97 + H GLU 98 OK 63 68 100 94 2.4-3.8 4.5=60, 4.1/7579=48...(11) HA GLU 95 + H GLU 98 OK 42 59 100 71 3.3-4.3 3.6/7563=27, 4281=19...(9) Violated in 0 structures by 0.00 A. Peak 7590 from nnoeabs.peaks (4.19, 7.66, 120.59 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + H GLU 98 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 7591 from nnoeabs.peaks (2.04, 7.66, 120.59 ppm; 3.02 A): 2 out of 7 assignments used, quality = 0.99: * HB2 GLU 98 + H GLU 98 OK 91 100 100 91 2.5-2.8 4.0=43, 3.0/7594=35...(12) HB3 GLU 98 + H GLU 98 OK 90 100 100 90 3.6-3.7 4.0=43, 3.0/7594=35...(10) HB3 LYS 94 - H GLU 98 poor 18 90 20 - 4.3-6.8 HB2 GLU 99 - H GLU 98 far 5 100 5 - 4.0-6.5 HB3 GLU 99 - H GLU 98 far 5 100 5 - 4.5-6.6 HB2 MET 21 - H GLU 98 far 0 100 0 - 8.4-11.2 HG12 ILE 93 - H GLU 98 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 7592 from nnoeabs.peaks (2.04, 7.66, 120.59 ppm; 3.02 A): 2 out of 7 assignments used, quality = 0.99: HB2 GLU 98 + H GLU 98 OK 91 100 100 91 2.5-2.8 4.0=43, 3.0/7594=35...(12) * HB3 GLU 98 + H GLU 98 OK 90 100 100 90 3.6-3.7 4.0=43, 3.0/7594=35...(10) HB3 LYS 94 - H GLU 98 poor 18 91 20 - 4.3-6.8 HB2 GLU 99 - H GLU 98 far 5 100 5 - 4.0-6.5 HB3 GLU 99 - H GLU 98 far 5 100 5 - 4.5-6.6 HB2 MET 21 - H GLU 98 far 0 100 0 - 8.4-11.2 HG12 ILE 93 - H GLU 98 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 7593 from nnoeabs.peaks (2.21, 7.66, 120.59 ppm; 3.65 A): 2 out of 4 assignments used, quality = 0.99: * HG2 GLU 98 + H GLU 98 OK 99 100 100 99 2.7-4.0 1.8/7594=67, 4365/2.9=62...(9) HG2 GLU 99 + H GLU 98 OK 23 100 30 78 3.6-6.4 4.7/7595=37, 4.7/7596=23...(10) HB2 GLU 95 - H GLU 98 far 0 99 0 - 5.7-6.5 HG2 MET 1 - H GLU 98 far 0 95 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 7594 from nnoeabs.peaks (2.47, 7.66, 120.59 ppm; 3.39 A): 1 out of 2 assignments used, quality = 0.98: * HG3 GLU 98 + H GLU 98 OK 98 100 100 98 1.9-2.7 4366/2.9=52, 1.8/7593=52...(12) HG3 GLU 99 - H GLU 98 poor 19 68 50 57 3.9-6.3 4.7/7595=31, 4.7/7596=19...(7) Violated in 0 structures by 0.00 A. Peak 7595 from nnoeabs.peaks (7.79, 7.66, 120.59 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.99: * H GLU 99 + H GLU 98 OK 99 100 100 99 2.1-3.1 7602=87, 7580/7579=27...(15) Violated in 0 structures by 0.00 A. Peak 7596 from nnoeabs.peaks (8.14, 7.66, 120.59 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 100 + H GLU 98 OK 100 100 100 100 3.6-4.4 7619/7595=87...(11) H TRP 92 - H GLU 98 far 0 100 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 7597 from nnoeabs.peaks (7.79, 7.79, 120.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 99 + H GLU 99 OK 100 100 - 100 Peak 7598 from nnoeabs.peaks (4.02, 7.79, 120.07 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.98: * HA GLU 95 + H GLU 99 OK 96 100 100 96 3.3-4.1 4281/7595=55...(12) HB3 SER 97 + H GLU 99 OK 59 59 100 99 4.8-6.3 4.5/7595=79, 3.0/7601=71...(9) Violated in 0 structures by 0.00 A. Peak 7599 from nnoeabs.peaks (4.51, 7.79, 120.07 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 96 + H GLU 99 OK 100 100 100 100 3.1-4.6 4322=90, 7585/7595=57...(10) Violated in 0 structures by 0.00 A. Peak 7600 from nnoeabs.peaks (8.22, 7.79, 120.07 ppm; 4.78 A): 2 out of 3 assignments used, quality = 1.00: * H SER 97 + H GLU 99 OK 100 100 100 100 3.8-4.6 7580=98, 7579/7595=83...(14) H PHE 96 + H GLU 99 OK 96 100 100 97 4.4-5.1 3.0/7599=67, 4.6/7580=48...(9) H GLU 104 - H GLU 99 far 0 100 0 - 7.8-13.2 Violated in 0 structures by 0.00 A. Peak 7601 from nnoeabs.peaks (3.82, 7.79, 120.07 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 97 + H GLU 99 OK 100 100 100 100 4.3-5.4 3.6/7595=87, 3.0/7580=73...(8) HB3 SER 102 - H GLU 99 lone 3 100 40 8 4.4-10.2 7616/7619=7 Violated in 11 structures by 0.11 A. Peak 7602 from nnoeabs.peaks (7.66, 7.79, 120.07 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + H GLU 99 OK 100 100 100 100 2.1-3.1 7595=100, 7579/7580=30...(15) Violated in 0 structures by 0.00 A. Peak 7603 from nnoeabs.peaks (4.19, 7.79, 120.07 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + H GLU 99 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7604 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.98 A): 4 out of 5 assignments used, quality = 1.00: HB3 GLU 99 + H GLU 99 OK 87 100 100 87 2.3-3.6 3.9=46, 3.0/4428=33...(11) HB2 GLU 99 + H GLU 99 OK 87 100 100 87 2.1-3.6 3.9=46, 3.0/4428=33...(9) * HB2 GLU 98 + H GLU 99 OK 82 100 100 82 2.0-3.2 4.0/7595=30, 4.6=28...(15) HB3 GLU 98 + H GLU 99 OK 81 100 100 81 3.1-4.3 4.0/7595=30, 4.6=28...(13) HB3 LYS 94 - H GLU 99 far 0 90 0 - 5.9-8.4 Violated in 0 structures by 0.00 A. Peak 7605 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.98 A): 4 out of 5 assignments used, quality = 1.00: HB3 GLU 99 + H GLU 99 OK 87 100 100 87 2.3-3.6 3.9=46, 3.0/4428=33...(11) HB2 GLU 99 + H GLU 99 OK 87 100 100 87 2.1-3.6 3.9=46, 3.0/4428=33...(9) HB2 GLU 98 + H GLU 99 OK 82 100 100 82 2.0-3.2 4.0/7595=30, 4.6=28...(15) * HB3 GLU 98 + H GLU 99 OK 81 100 100 81 3.1-4.3 4.0/7595=30, 4.6=28...(13) HB3 LYS 94 - H GLU 99 far 0 91 0 - 5.9-8.4 Violated in 0 structures by 0.00 A. Peak 7606 from nnoeabs.peaks (2.21, 7.79, 120.07 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: HG2 GLU 99 + H GLU 99 OK 98 100 100 98 1.9-4.4 1.8/4428=67, 4402/3.0=54...(12) * HG2 GLU 98 + H GLU 99 OK 96 100 100 96 4.5-5.0 4365/3.6=53...(13) HB2 GLU 95 - H GLU 99 far 0 99 0 - 5.4-6.1 HG2 MET 1 - H GLU 99 far 0 95 0 - 9.1-12.0 Violated in 3 structures by 0.02 A. Peak 7607 from nnoeabs.peaks (2.47, 7.79, 120.07 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + H GLU 99 OK 99 100 100 99 3.7-4.1 4366/3.6=62...(14) HG3 GLU 99 + H GLU 99 OK 66 68 100 98 1.9-3.9 4.7=65, 1.8/7611=43...(12) Violated in 0 structures by 0.00 A. Peak 7608 from nnoeabs.peaks (4.12, 7.79, 120.07 ppm; 3.62 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 99 + H GLU 99 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 104 - H GLU 99 far 0 100 0 - 6.5-13.3 Violated in 0 structures by 0.00 A. Peak 7609 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.98 A): 4 out of 5 assignments used, quality = 1.00: HB3 GLU 99 + H GLU 99 OK 87 100 100 87 2.3-3.6 3.9=46, 3.0/4428=33...(11) * HB2 GLU 99 + H GLU 99 OK 87 100 100 87 2.1-3.6 3.9=46, 3.0/4428=33...(9) HB2 GLU 98 + H GLU 99 OK 82 100 100 82 2.0-3.2 4.0/7595=30, 4.6=28...(15) HB3 GLU 98 + H GLU 99 OK 81 100 100 81 3.1-4.3 4.0/7595=30, 4.6=28...(13) HB3 LYS 94 - H GLU 99 far 0 91 0 - 5.9-8.4 Violated in 0 structures by 0.00 A. Peak 7610 from nnoeabs.peaks (2.04, 7.79, 120.07 ppm; 2.98 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLU 99 + H GLU 99 OK 87 100 100 87 2.3-3.6 3.9=46, 3.0/4428=33...(11) HB2 GLU 99 + H GLU 99 OK 87 100 100 87 2.1-3.6 3.9=46, 3.0/4428=33...(9) HB2 GLU 98 + H GLU 99 OK 82 100 100 82 2.0-3.2 4.0/7595=30, 4.6=28...(15) HB3 GLU 98 + H GLU 99 OK 80 100 100 81 3.1-4.3 4.0/7595=30, 4.6=28...(13) HB3 LYS 94 - H GLU 99 far 0 96 0 - 5.9-8.4 HB3 MET 1 - H GLU 99 far 0 68 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 7611 from nnoeabs.peaks (2.22, 7.79, 120.07 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 99 + H GLU 99 OK 98 100 100 98 1.9-4.4 1.8/4428=67, 4402/3.0=54...(12) HG2 GLU 98 + H GLU 99 OK 96 100 100 96 4.5-5.0 4365/3.6=53...(13) HB2 GLU 95 - H GLU 99 far 0 95 0 - 5.4-6.1 HG2 MET 1 - H GLU 99 far 0 88 0 - 9.1-12.0 Violated in 3 structures by 0.02 A. Peak 7612 from nnoeabs.peaks (2.44, 7.79, 120.07 ppm; 3.70 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 99 + H GLU 99 OK 99 100 100 99 1.9-3.9 4428=84, 1.8/7611=37...(14) HG3 GLU 98 + H GLU 99 OK 62 68 100 92 3.7-4.1 4.9=42, 1.8/7606=36...(11) HG3 MET 1 - H GLU 99 far 0 92 0 - 8.5-12.0 Violated in 0 structures by 0.00 A. Peak 7613 from nnoeabs.peaks (8.14, 7.79, 120.07 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 100 + H GLU 99 OK 100 100 100 100 2.5-3.0 7619=100, 4.7/4428=40...(15) H HIS 106 - H GLU 99 far 0 96 0 - 9.1-19.4 Violated in 0 structures by 0.00 A. Peak 7614 from nnoeabs.peaks (8.14, 8.14, 107.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 100 + H GLY 100 OK 100 100 - 100 Peak 7616 from nnoeabs.peaks (3.82, 8.14, 107.80 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.93: * HA SER 97 + H GLY 100 OK 93 100 100 93 3.4-4.5 10066/10085=43...(7) HB3 SER 102 - H GLY 100 poor 10 100 40 26 4.9-8.9 4.0/7627=16, 4461/4.6=9 HA ALA 22 - H GLY 100 far 0 99 0 - 9.9-11.1 Violated in 4 structures by 0.02 A. Peak 7618 from nnoeabs.peaks (4.19, 8.14, 107.80 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 98 + H GLY 100 OK 100 100 100 100 3.8-5.2 11026=86, 3.6/7619=85...(11) HA MET 1 - H GLY 100 far 0 77 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 7619 from nnoeabs.peaks (7.79, 8.14, 107.80 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 99 + H GLY 100 OK 100 100 100 100 2.5-3.0 7613=95, 4428/4.7=38...(15) Violated in 0 structures by 0.00 A. Peak 7620 from nnoeabs.peaks (4.12, 8.14, 107.80 ppm; 3.81 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 99 + H GLY 100 OK 100 100 100 100 3.3-3.6 3.6=100 HA GLU 104 - H GLY 100 far 0 100 0 - 7.5-13.0 HA MET 1 - H GLY 100 far 0 70 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 7621 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.07 A): 4 out of 6 assignments used, quality = 1.00: * HB2 GLU 99 + H GLY 100 OK 96 100 100 96 2.2-4.3 4.7=67, 3.9/7619=51...(14) HB3 GLU 99 + H GLY 100 OK 96 100 100 96 2.2-4.1 4.7=67, 3.9/7619=51...(15) HB2 GLU 98 + H GLY 100 OK 92 100 100 92 4.4-5.5 3.0/11026=42...(14) HB3 GLU 98 + H GLY 100 OK 69 100 75 92 5.0-6.0 3.0/11026=42...(13) HB3 LYS 94 - H GLY 100 far 0 91 0 - 7.8-9.8 HG12 ILE 93 - H GLY 100 far 0 100 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 7622 from nnoeabs.peaks (2.04, 8.14, 107.80 ppm; 4.07 A): 4 out of 7 assignments used, quality = 1.00: * HB3 GLU 99 + H GLY 100 OK 96 100 100 96 2.2-4.1 4.7=67, 3.9/7619=51...(15) HB2 GLU 99 + H GLY 100 OK 96 100 100 96 2.2-4.3 4.7=67, 3.9/7619=51...(14) HB2 GLU 98 + H GLY 100 OK 92 100 100 93 4.4-5.5 3.0/11026=42...(14) HB3 GLU 98 + H GLY 100 OK 69 100 75 92 5.0-6.0 3.0/11026=42...(13) HB3 MET 1 - H GLY 100 far 0 68 0 - 7.2-10.9 HB3 LYS 94 - H GLY 100 far 0 96 0 - 7.8-9.8 HG12 ILE 93 - H GLY 100 far 0 100 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 7623 from nnoeabs.peaks (2.22, 8.14, 107.80 ppm; 5.04 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 99 + H GLY 100 OK 100 100 100 100 2.3-5.5 4.7=100 HG2 GLU 98 + H GLY 100 OK 78 100 80 97 5.7-7.3 4365/11026=59...(10) HG2 MET 1 - H GLY 100 far 4 88 5 - 6.4-9.4 HB2 GLU 95 - H GLY 100 far 0 95 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 7624 from nnoeabs.peaks (2.44, 8.14, 107.80 ppm; 5.68 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 99 + H GLY 100 OK 100 100 100 100 2.0-5.0 4.7=100 HG3 GLU 98 + H GLY 100 OK 67 68 100 99 5.4-6.4 4.9/7619=72, 3.9/7618=66...(8) HG3 MET 1 - H GLY 100 far 9 92 10 - 6.3-9.3 Violated in 0 structures by 0.00 A. Peak 7625 from nnoeabs.peaks (3.87, 8.14, 107.80 ppm; 3.62 A): 3 out of 6 assignments used, quality = 1.00: * HA2 GLY 100 + H GLY 100 OK 100 100 100 100 2.3-2.9 2.9=100 HA3 GLY 101 + H GLY 100 OK 40 82 60 80 4.4-5.9 3.0/7629=51, 1.8/4435=19...(12) HA2 GLY 101 + H GLY 100 OK 20 100 25 81 4.5-5.9 3.0/7629=51, 4435=22...(13) HB2 SER 102 - H GLY 100 far 4 81 5 - 4.8-8.7 HA LYS 94 - H GLY 100 far 0 100 0 - 6.8-8.4 HA ALA 22 - H GLY 100 far 0 59 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 7626 from nnoeabs.peaks (3.71, 8.14, 107.80 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 100 + H GLY 100 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 7627 from nnoeabs.peaks (8.02, 8.14, 107.80 ppm; 4.47 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 101 + H GLY 100 OK 100 100 100 100 2.3-4.0 7629=100, 10099/3.6=49...(9) H SER 102 + H GLY 100 OK 50 65 95 81 3.3-6.6 4.6/7629=51, 3.6/4435=19...(11) Violated in 0 structures by 0.00 A. Peak 7628 from nnoeabs.peaks (8.02, 8.02, 108.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + H GLY 101 OK 100 100 - 100 Peak 7629 from nnoeabs.peaks (8.14, 8.02, 108.03 ppm; 3.91 A): 1 out of 2 assignments used, quality = 0.94: * H GLY 100 + H GLY 101 OK 94 100 100 94 2.3-4.0 4.6=60, 3.6/10099=37...(10) H HIS 106 - H GLY 101 far 0 96 0 - 7.1-16.4 Violated in 1 structures by 0.01 A. Peak 7630 from nnoeabs.peaks (3.87, 8.02, 108.03 ppm; 3.06 A): 3 out of 5 assignments used, quality = 1.00: HA2 GLY 101 + H GLY 101 OK 100 100 100 100 2.4-3.0 3.0=100 HA3 GLY 101 + H GLY 101 OK 82 82 100 100 2.4-2.9 3.0=100 * HA2 GLY 100 + H GLY 101 OK 81 100 100 81 2.3-3.6 3.6=63, 2.9/7629=36...(6) HB2 SER 102 - H GLY 101 lone 4 81 25 20 3.7-5.8 7637/4.6=6, 3.0/4451=5...(5) HA LYS 94 - H GLY 101 far 0 100 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 7631 from nnoeabs.peaks (3.71, 8.02, 108.03 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 100 + H GLY 101 OK 100 100 100 100 2.2-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7632 from nnoeabs.peaks (3.87, 8.02, 108.03 ppm; 3.06 A): 3 out of 5 assignments used, quality = 1.00: * HA2 GLY 101 + H GLY 101 OK 100 100 100 100 2.4-3.0 3.0=100 HA3 GLY 101 + H GLY 101 OK 82 82 100 100 2.4-2.9 3.0=100 HA2 GLY 100 + H GLY 101 OK 81 100 100 81 2.3-3.6 3.6=63, 2.9/7629=36...(6) HB2 SER 102 - H GLY 101 lone 4 81 25 20 3.7-5.8 7637/4.6=6, 3.0/4451=5...(5) HA LYS 94 - H GLY 101 far 0 100 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 7633 from nnoeabs.peaks (3.89, 8.02, 108.03 ppm; 2.90 A): 3 out of 5 assignments used, quality = 1.00: * HA3 GLY 101 + H GLY 101 OK 96 100 100 96 2.4-2.9 3.0=95, 7640/4.6=8...(6) HA2 GLY 101 + H GLY 101 OK 79 82 100 96 2.4-3.0 3.0=95, 7638/4.6=6...(4) HA2 GLY 100 + H GLY 101 OK 60 82 100 73 2.3-3.6 3.6=54, 2.9/7629=32...(6) HB2 SER 102 - H GLY 101 lone 5 100 25 19 3.7-5.8 7640/4.6=6, 3.0/4451=4...(5) HA LYS 94 - H GLY 101 far 0 82 0 - 8.1-11.4 Violated in 0 structures by 0.00 A. Peak 7634 from nnoeabs.peaks (8.06, 8.02, 108.03 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: H GLY 101 + H GLY 101 OK 65 65 - 100 Reference assignment not found: H SER 102 - H GLY 101 Peak 7635 from nnoeabs.peaks (8.06, 8.06, 115.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 102 + H SER 102 OK 100 100 - 100 Peak 7636 from nnoeabs.peaks (8.02, 8.06, 115.27 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: H SER 102 + H SER 102 OK 65 65 - 100 Reference assignment not found: H GLY 101 - H SER 102 Peak 7637 from nnoeabs.peaks (3.87, 8.06, 115.27 ppm; 3.62 A): 3 out of 5 assignments used, quality = 1.00: * HA2 GLY 101 + H SER 102 OK 100 100 100 100 3.4-3.6 3.6=100 HA3 GLY 101 + H SER 102 OK 82 82 100 100 2.4-3.2 3.6=100 HB2 SER 102 + H SER 102 OK 68 81 100 84 2.3-4.0 4.0=76, 4.5/7644=28, 4456/4.6=5 HA2 GLY 100 - H SER 102 poor 10 100 35 29 3.9-6.0 7632/4.6=12, 2.9/7627=8...(5) HA LYS 94 - H SER 102 far 0 100 0 - 8.2-13.7 Violated in 0 structures by 0.00 A. Peak 7638 from nnoeabs.peaks (3.89, 8.06, 115.27 ppm; 3.42 A): 3 out of 5 assignments used, quality = 1.00: * HA3 GLY 101 + H SER 102 OK 94 100 100 94 2.4-3.2 3.6=88, 1.8/4450=16...(8) HA2 GLY 101 + H SER 102 OK 78 82 100 94 3.4-3.6 3.6=88, 1.8/4450=25...(8) HB2 SER 102 + H SER 102 OK 75 100 100 75 2.3-4.0 4.0=64, 4.5/7644=25, 4456/4.6=6 HA2 GLY 100 - H SER 102 poor 7 82 35 23 3.9-6.0 7633/4.6=9, 2.9/7627=7...(5) HA LYS 94 - H SER 102 far 0 82 0 - 8.2-13.7 Violated in 0 structures by 0.00 A. Peak 7639 from nnoeabs.peaks (4.38, 8.06, 115.27 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 102 + H SER 102 OK 100 100 100 100 2.3-2.9 3.0=100 HA HIS 106 - H SER 102 far 4 82 5 - 4.6-14.7 HA ARG 81 - H SER 102 far 0 94 0 - 9.8-16.4 Violated in 0 structures by 0.00 A. Peak 7640 from nnoeabs.peaks (3.89, 8.06, 115.27 ppm; 3.42 A): 3 out of 5 assignments used, quality = 1.00: HA3 GLY 101 + H SER 102 OK 94 100 100 94 2.4-3.2 3.6=88, 1.8/4450=16...(8) HA2 GLY 101 + H SER 102 OK 76 81 100 94 3.4-3.6 3.6=88, 1.8/4450=25...(7) * HB2 SER 102 + H SER 102 OK 75 100 100 75 2.3-4.0 4.0=64, 4.5/7644=25, 4456/4.6=6 HA2 GLY 100 - H SER 102 poor 7 81 35 23 3.9-6.0 7633/4.6=9, 2.9/7627=7...(5) HA LYS 94 - H SER 102 far 0 81 0 - 8.2-13.7 Violated in 0 structures by 0.00 A. Peak 7641 from nnoeabs.peaks (3.81, 8.06, 115.27 ppm; 4.03 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 102 + H SER 102 OK 100 100 100 100 2.2-4.0 4.0=100 HA SER 97 - H SER 102 far 0 100 0 - 5.6-9.2 Violated in 1 structures by 0.00 A. Peak 7642 from nnoeabs.peaks (8.29, 8.06, 115.27 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + H SER 102 OK 100 100 100 100 2.3-4.6 4.6=100 H LYS 94 - H SER 102 far 0 88 0 - 8.6-15.1 Violated in 0 structures by 0.00 A. Peak 7643 from nnoeabs.peaks (8.29, 8.29, 123.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 103 + H LEU 103 OK 100 100 - 100 Peak 7644 from nnoeabs.peaks (8.06, 8.29, 123.60 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * H SER 102 + H LEU 103 OK 100 100 100 100 2.3-4.6 4.6=99, 3.0/7645=90...(8) H GLY 101 - H LEU 103 poor 20 65 30 - 2.6-6.8 Violated in 0 structures by 0.00 A. Peak 7645 from nnoeabs.peaks (4.38, 8.29, 123.60 ppm; 3.05 A): 1 out of 3 assignments used, quality = 0.94: * HA SER 102 + H LEU 103 OK 94 100 100 94 2.1-2.9 4455=77, 3.0/7646=29...(9) HA HIS 106 - H LEU 103 far 0 82 0 - 5.9-11.5 HA ARG 81 - H LEU 103 far 0 94 0 - 8.3-15.7 Violated in 0 structures by 0.00 A. Peak 7646 from nnoeabs.peaks (3.89, 8.29, 123.60 ppm; 3.90 A): 2 out of 5 assignments used, quality = 0.99: * HB2 SER 102 + H LEU 103 OK 99 100 100 99 2.1-4.7 3.0/7645=73, 4.5=63...(8) HA3 GLY 101 + H LEU 103 OK 21 100 30 69 3.6-6.6 3.6/7644=42...(8) HA2 GLY 101 - H LEU 103 poor 16 81 20 - 3.5-7.1 HA2 GLY 100 - H LEU 103 far 8 81 10 - 4.5-10.1 HA LYS 94 - H LEU 103 far 0 81 0 - 8.9-15.8 Violated in 1 structures by 0.01 A. Peak 7647 from nnoeabs.peaks (3.81, 8.29, 123.60 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 102 + H LEU 103 OK 100 100 100 100 2.8-4.4 4.5=89, 3.0/7645=85...(5) HA SER 97 - H LEU 103 far 0 100 0 - 6.8-13.0 Violated in 0 structures by 0.00 A. Peak 7648 from nnoeabs.peaks (4.30, 8.29, 123.60 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + H LEU 103 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 7649 from nnoeabs.peaks (1.58, 8.29, 123.60 ppm; 3.00 A): 2 out of 5 assignments used, quality = 0.95: * HB2 LEU 103 + H LEU 103 OK 92 100 100 92 2.1-3.5 4474=43, 1.8/7650=38...(13) HG LEU 103 + H LEU 103 OK 37 100 40 92 2.3-5.1 3.0/4474=33, 3.0/7650=29...(12) HB2 ARG 79 - H LEU 103 far 5 96 5 - 4.5-10.1 HD3 LYS 53 - H LEU 103 far 0 71 0 - 6.0-10.4 HB2 LEU 3 - H LEU 103 far 0 73 0 - 9.1-14.5 Violated in 3 structures by 0.03 A. Peak 7650 from nnoeabs.peaks (1.52, 8.29, 123.60 ppm; 3.69 A): 1 out of 7 assignments used, quality = 0.99: * HB3 LEU 103 + H LEU 103 OK 99 100 100 99 2.2-3.8 4.0=76, 1.8/4474=66...(12) HG2 ARG 79 - H LEU 103 poor 15 99 40 37 2.4-8.8 4469/3.0=8, 4501/4.7=8...(8) HG3 ARG 79 - H LEU 103 poor 12 98 40 31 3.5-10.3 4493/4490=7, 74/4.7=6...(7) HD3 LYS 53 - H LEU 103 far 0 79 0 - 6.0-10.4 HB2 LEU 3 - H LEU 103 far 0 77 0 - 9.1-14.5 HG12 ILE 56 - H LEU 103 far 0 99 0 - 9.8-14.7 HG LEU 57 - H LEU 103 far 0 90 0 - 9.9-16.4 Violated in 3 structures by 0.01 A. Peak 7651 from nnoeabs.peaks (1.58, 8.29, 123.60 ppm; 2.99 A): 2 out of 5 assignments used, quality = 0.95: HB2 LEU 103 + H LEU 103 OK 92 100 100 92 2.1-3.5 4474=42, 1.8/7650=38...(13) * HG LEU 103 + H LEU 103 OK 37 100 40 91 2.3-5.1 3.0/4474=33, 3.0/7650=29...(12) HB2 ARG 79 - H LEU 103 far 0 94 0 - 4.5-10.1 HD3 LYS 53 - H LEU 103 far 0 77 0 - 6.0-10.4 HB2 LEU 3 - H LEU 103 far 0 79 0 - 9.1-14.5 Violated in 3 structures by 0.03 A. Peak 7652 from nnoeabs.peaks (0.83, 8.29, 123.60 ppm; 4.13 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 103 + H LEU 103 OK 100 100 100 100 1.8-4.2 4499/3.0=77, 4.7=67...(14) QD1 LEU 103 + H LEU 103 OK 61 61 100 100 1.8-4.5 4.7=67, 3.1/4474=61...(11) QD2 LEU 57 - H LEU 103 far 0 75 0 - 6.9-13.2 QD1 LEU 57 - H LEU 103 far 0 100 0 - 7.5-12.5 Violated in 0 structures by 0.00 A. Peak 7653 from nnoeabs.peaks (0.86, 8.29, 123.60 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 103 + H LEU 103 OK 100 100 100 100 1.8-4.5 4.7=71, 3.1/4474=64...(14) QD2 LEU 103 + H LEU 103 OK 61 61 100 100 1.8-4.2 4.7=71, 3.1/4474=64...(10) QD1 LEU 57 - H LEU 103 far 0 63 0 - 7.5-12.5 Violated in 0 structures by 0.00 A. Peak 7654 from nnoeabs.peaks (8.22, 8.29, 123.60 ppm; 4.10 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 104 + H LEU 103 OK 99 100 100 99 2.6-4.4 7657/3.0=79, 4.6=70...(8) H PHE 96 - H LEU 103 far 5 100 5 - 5.6-12.2 H SER 97 - H LEU 103 far 0 100 0 - 6.2-12.9 Violated in 8 structures by 0.08 A. Peak 7655 from nnoeabs.peaks (8.22, 8.22, 120.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 104 + H GLU 104 OK 100 100 - 100 H PHE 96 + H PHE 96 OK 96 96 - 100 Peak 7656 from nnoeabs.peaks (8.29, 8.22, 120.51 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 103 + H GLU 104 OK 99 100 100 99 2.6-4.4 7654=83, 3.0/7657=72...(8) H LYS 94 + H PHE 96 OK 81 81 100 99 3.7-4.1 7522=84, 3.6/7547=45...(16) H LEU 103 - H PHE 96 far 0 96 0 - 5.6-12.2 H LYS 94 - H GLU 104 far 0 88 0 - 6.6-16.2 Violated in 0 structures by 0.00 A. Peak 7657 from nnoeabs.peaks (4.30, 8.22, 120.51 ppm; 3.09 A): 1 out of 3 assignments used, quality = 0.93: * HA LEU 103 + H GLU 104 OK 93 100 100 93 2.1-3.6 4473=67, 3.0/7654=34...(7) HA LEU 103 - H PHE 96 far 14 96 15 - 4.0-11.4 HA ASP 65 - H GLU 104 far 0 98 0 - 9.0-21.5 Violated in 5 structures by 0.10 A. Peak 7658 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 3.99 A): 2 out of 15 assignments used, quality = 1.00: * HB2 LEU 103 + H GLU 104 OK 100 100 100 100 1.8-4.6 4.3=80, 3.0/7657=75...(9) HG LEU 103 + H GLU 104 OK 78 100 80 97 3.5-6.0 3.7/7657=63, 3.0/7659=54...(9) HB2 ARG 79 - H GLU 104 far 10 96 10 - 4.0-11.4 HG LEU 103 - H PHE 96 far 5 96 5 - 5.3-14.0 HD3 LYS 94 - H PHE 96 far 0 92 0 - 5.9-7.3 HB2 LEU 103 - H PHE 96 far 0 96 0 - 6.0-13.4 HD2 LYS 94 - H PHE 96 far 0 53 0 - 6.1-6.9 HB2 LEU 3 - H PHE 96 far 0 67 0 - 7.0-8.7 HG LEU 27 - H PHE 96 far 0 92 0 - 7.3-8.7 HB2 ARG 79 - H PHE 96 far 0 90 0 - 7.6-10.8 HD3 LYS 53 - H GLU 104 far 0 71 0 - 8.2-13.0 HD3 LYS 94 - H GLU 104 far 0 98 0 - 8.5-17.6 HD3 LYS 53 - H PHE 96 far 0 65 0 - 8.8-12.2 HB3 LEU 29 - H PHE 96 far 0 93 0 - 9.6-12.2 HD2 LYS 94 - H GLU 104 far 0 59 0 - 9.8-18.9 Violated in 9 structures by 0.08 A. Peak 7659 from nnoeabs.peaks (1.52, 8.22, 120.51 ppm; 3.97 A): 1 out of 13 assignments used, quality = 1.00: * HB3 LEU 103 + H GLU 104 OK 100 100 100 100 1.8-4.6 4.3=79, 3.0/7657=75...(10) HB3 LEU 103 - H PHE 96 far 14 96 15 - 4.2-13.7 HG2 ARG 79 - H GLU 104 poor 11 99 30 36 4.6-10.5 4469/7657=9, 4501/4.9=9...(6) HG3 ARG 79 - H GLU 104 far 10 98 10 - 4.2-12.2 HB2 ARG 91 - H GLU 104 far 0 63 0 - 6.1-17.6 HB2 LEU 3 - H PHE 96 far 0 70 0 - 7.0-8.7 HG3 ARG 79 - H PHE 96 far 0 93 0 - 7.5-10.3 HB2 ARG 91 - H PHE 96 far 0 57 0 - 7.8-8.4 HG LEU 57 - H PHE 96 far 0 83 0 - 7.9-9.0 HG2 ARG 79 - H PHE 96 far 0 93 0 - 8.1-10.1 HD3 LYS 53 - H GLU 104 far 0 79 0 - 8.2-13.0 HG LEU 57 - H GLU 104 far 0 90 0 - 8.7-17.6 HD3 LYS 53 - H PHE 96 far 0 72 0 - 8.8-12.2 Violated in 6 structures by 0.08 A. Peak 7660 from nnoeabs.peaks (1.58, 8.22, 120.51 ppm; 3.86 A): 2 out of 13 assignments used, quality = 1.00: HB2 LEU 103 + H GLU 104 OK 99 100 100 99 1.8-4.6 4.3=73, 3.0/7657=72...(9) * HG LEU 103 + H GLU 104 OK 63 100 65 96 3.5-6.0 3.7/7657=60, 3.0/7659=51...(9) HB2 ARG 79 - H GLU 104 far 9 94 10 - 4.0-11.4 HG LEU 103 - H PHE 96 far 5 96 5 - 5.3-14.0 HD3 LYS 94 - H PHE 96 far 0 90 0 - 5.9-7.3 HB2 LEU 103 - H PHE 96 far 0 96 0 - 6.0-13.4 HB2 LEU 3 - H PHE 96 far 0 72 0 - 7.0-8.7 HG LEU 27 - H PHE 96 far 0 90 0 - 7.3-8.7 HB2 ARG 79 - H PHE 96 far 0 88 0 - 7.6-10.8 HD3 LYS 53 - H GLU 104 far 0 77 0 - 8.2-13.0 HD3 LYS 94 - H GLU 104 far 0 96 0 - 8.5-17.6 HD3 LYS 53 - H PHE 96 far 0 70 0 - 8.8-12.2 HB3 LEU 29 - H PHE 96 far 0 91 0 - 9.6-12.2 Violated in 11 structures by 0.15 A. Peak 7661 from nnoeabs.peaks (0.83, 8.22, 120.51 ppm; 4.24 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 103 + H GLU 104 OK 99 100 100 99 2.2-4.9 4499/7657=77, 4.9=66...(9) QD1 LEU 103 + H GLU 104 OK 61 61 100 99 1.9-4.6 4.9=66, 3.9/7657=66...(9) QD1 LEU 103 - H PHE 96 poor 17 55 30 - 3.9-11.4 QD2 LEU 103 - H PHE 96 lone 11 96 55 19 3.7-10.0 4505=7, 2.1/4513=4...(6) QD1 LEU 57 - H GLU 104 far 0 100 0 - 6.0-13.3 QD2 LEU 57 - H PHE 96 far 0 69 0 - 6.2-7.0 QD1 LEU 57 - H PHE 96 far 0 96 0 - 6.6-7.4 QD2 LEU 57 - H GLU 104 far 0 75 0 - 7.3-14.6 QD2 LEU 64 - H GLU 104 far 0 65 0 - 7.3-16.9 Violated in 0 structures by 0.00 A. Peak 7662 from nnoeabs.peaks (0.86, 8.22, 120.51 ppm; 4.45 A): 2 out of 7 assignments used, quality = 1.00: * QD1 LEU 103 + H GLU 104 OK 100 100 100 100 1.9-4.6 4.9=76, 3.9/7657=71...(11) QD2 LEU 103 + H GLU 104 OK 61 61 100 100 2.2-4.9 4.9=76, 3.9/7657=71...(8) QD1 LEU 103 - H PHE 96 lone 5 96 30 18 3.9-11.4 2.1/4505=7, 4513=4...(5) QD2 LEU 103 - H PHE 96 lone 5 55 55 14 3.7-10.0 2.1/4513=4, 4505=4...(5) QD1 LEU 57 - H GLU 104 far 0 63 0 - 6.0-13.3 QD1 LEU 57 - H PHE 96 far 0 57 0 - 6.6-7.4 QD2 LEU 64 - H GLU 104 far 0 100 0 - 7.3-16.9 Violated in 0 structures by 0.00 A. Peak 7663 from nnoeabs.peaks (4.13, 8.22, 120.51 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 104 + H GLU 104 OK 100 100 100 100 2.7-2.9 3.0=100 HA GLU 104 - H PHE 96 far 0 96 0 - 6.0-13.7 HA GLU 99 - H GLU 104 far 0 100 0 - 6.2-12.7 HA GLU 99 - H PHE 96 far 0 96 0 - 6.5-7.5 Violated in 0 structures by 0.00 A. Peak 7664 from nnoeabs.peaks (1.81, 8.22, 120.51 ppm; 3.16 A): 1 out of 11 assignments used, quality = 0.94: * HB2 GLU 104 + H GLU 104 OK 94 100 100 94 2.1-3.2 1.8/7665=61, 4521=55...(7) HB ILE 93 - H PHE 96 far 0 95 0 - 5.2-5.6 HB2 GLU 104 - H PHE 96 far 0 96 0 - 5.7-14.3 HB2 LYS 68 - H GLU 104 far 0 79 0 - 6.8-18.6 HB2 GLU 88 - H GLU 104 far 0 100 0 - 7.1-18.4 HB2 LYS 53 - H PHE 96 far 0 67 0 - 8.2-9.7 HB ILE 93 - H GLU 104 far 0 100 0 - 8.5-17.1 HB3 LYS 90 - H PHE 96 far 0 79 0 - 8.8-10.1 HB2 LYS 90 - H PHE 96 far 0 96 0 - 9.1-10.5 HB VAL 78 - H GLU 104 far 0 79 0 - 9.9-16.1 HB3 LEU 57 - H PHE 96 far 0 90 0 - 10.0-11.1 Violated in 1 structures by 0.00 A. Peak 7665 from nnoeabs.peaks (1.87, 8.22, 120.51 ppm; 3.46 A): 1 out of 7 assignments used, quality = 0.99: * HB3 GLU 104 + H GLU 104 OK 99 100 100 99 3.3-3.6 1.8/7664=80, 4528=72...(7) HB3 GLU 104 - H PHE 96 far 0 96 0 - 5.2-15.1 HB2 LYS 68 - H GLU 104 far 0 73 0 - 6.8-18.6 HB3 LYS 68 - H GLU 104 far 0 100 0 - 8.0-20.2 HB VAL 5 - H PHE 96 far 0 94 0 - 8.1-9.4 HB2 LYS 53 - H PHE 96 far 0 72 0 - 8.2-9.7 HB3 LYS 90 - H PHE 96 far 0 59 0 - 8.8-10.1 Violated in 11 structures by 0.05 A. Peak 7666 from nnoeabs.peaks (2.15, 8.22, 120.51 ppm; 3.47 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 104 + H GLU 104 OK 97 100 100 97 1.9-4.4 3.0/7664=59, 3.0/7665=54...(7) HB3 GLU 95 + H PHE 96 OK 84 93 100 91 3.6-4.2 4.6=43, 7540/4.5=34...(8) HB3 GLU 95 - H GLU 104 poor 20 99 20 - 3.7-12.0 HG2 GLU 104 - H PHE 96 far 0 96 0 - 5.7-14.9 HG2 GLU 88 - H GLU 104 far 0 100 0 - 8.9-20.3 HB VAL 83 - H GLU 104 far 0 68 0 - 9.7-20.7 Violated in 2 structures by 0.00 A. Peak 7667 from nnoeabs.peaks (2.10, 8.22, 120.51 ppm; 3.92 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 104 + H GLU 104 OK 99 100 100 99 2.0-4.1 3.0/7664=72, 3.0/7665=66...(7) QE MET 21 + H PHE 96 OK 24 96 40 63 4.9-6.8 8536/7522=31...(9) HG3 GLU 104 - H PHE 96 far 0 96 0 - 6.4-14.4 HB3 GLU 88 - H GLU 104 far 0 92 0 - 8.5-19.9 QE MET 21 - H GLU 104 far 0 100 0 - 8.7-16.0 HB VAL 83 - H GLU 104 far 0 96 0 - 9.7-20.7 Violated in 2 structures by 0.01 A. Peak 7669 from nnoeabs.peaks (8.15, 8.15, 125.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 106 + H HIS 106 OK 100 100 - 100 Peak 7671 from nnoeabs.peaks (4.41, 8.15, 125.33 ppm; 4.39 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 106 + H HIS 106 OK 100 100 100 100 2.8-2.9 2.9=100 HA SER 102 - H HIS 106 far 0 82 0 - 6.1-12.2 Violated in 0 structures by 0.00 A. Peak 7676 from nnoeabs.peaks (4.59, 8.15, 125.33 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA HIS 105 + H HIS 106 OK 100 100 100 100 2.1-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 7677 from nnoeabs.peaks (3.18, 8.15, 125.33 ppm; 5.53 A): 1 out of 2 assignments used, quality = 1.00: * HB2 HIS 106 + H HIS 106 OK 100 100 100 100 2.2-4.0 4.0=100 HB3 TRP 92 - H HIS 106 far 0 99 0 - 7.5-18.7 Violated in 0 structures by 0.00 A. Peak 7678 from nnoeabs.peaks (3.05, 8.15, 125.33 ppm; 4.44 A): 2 out of 4 assignments used, quality = 1.00: * HB3 HIS 106 + H HIS 106 OK 100 100 100 100 2.3-3.7 4.0=100 HB3 HIS 105 + H HIS 106 OK 97 99 100 98 2.2-4.5 4.7=87, 4552/3.6=78...(4) HD3 ARG 79 - H HIS 106 far 0 92 0 - 6.8-14.3 HD2 ARG 79 - H HIS 106 far 0 94 0 - 7.5-14.7 Violated in 0 structures by 0.00 A. Peak 8044 from nnoeabs.peaks (5.34, 8.51, 127.16 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 52 + H LEU 2 OK 99 100 100 100 2.2-4.2 8004/8=48, 8046/4.0=46...(22) Violated in 0 structures by 0.00 A. Peak 8059 from nnoeabs.peaks (6.44, 7.84, 122.56 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + H LEU 3 OK 99 100 100 100 3.6-5.0 8126/6032=54...(18) QD TYR 4 + H LEU 3 OK 99 100 100 100 3.4-4.8 4.5/6032=70, 3.7/6024=39...(21) Violated in 0 structures by 0.00 A. Peak 8088 from nnoeabs.peaks (4.67, 7.84, 122.56 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.93: HA LEU 27 + H LEU 3 OK 93 98 100 95 3.6-5.0 8080/4.0=67, 8086/132=57...(5) HA LEU 55 - H LEU 3 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 8119 from nnoeabs.peaks (6.96, 8.36, 119.31 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 96 + H TYR 4 OK 100 100 100 100 1.9-3.6 8072/6037=52...(20) Violated in 0 structures by 0.00 A. Peak 8120 from nnoeabs.peaks (7.07, 8.36, 119.31 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.98: HZ PHE 96 + H TYR 4 OK 96 100 100 96 2.6-4.7 2.2/8119=65...(16) QD PHE 96 + H TYR 4 OK 55 59 100 93 3.6-5.3 2.2/8119=65...(13) Violated in 2 structures by 0.02 A. Peak 8121 from nnoeabs.peaks (8.64, 8.36, 119.31 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: H LEU 55 + H TYR 4 OK 100 100 100 100 3.2-4.3 9293=100, 6902/10203=68...(16) H ASN 10 - H GLU 63 far 0 58 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 8122 from nnoeabs.peaks (8.48, 8.36, 119.31 ppm; 4.27 A): 2 out of 7 assignments used, quality = 1.00: H VAL 54 + H TYR 4 OK 99 99 100 100 3.8-4.4 11100=68, 3.0/10203=62...(18) H LYS 53 + H TYR 4 OK 97 98 100 100 3.2-4.3 11098=83, 9182/6037=50...(19) H ALA 67 - H GLU 63 poor 12 58 20 - 5.6-6.9 H LEU 2 - H TYR 4 far 0 79 0 - 6.7-7.9 H ARG 79 - H TYR 4 far 0 93 0 - 6.9-7.6 H LEU 29 - H TYR 4 far 0 79 0 - 7.7-8.8 H VAL 32 - H GLU 63 far 0 58 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 8133 from nnoeabs.peaks (0.77, 8.36, 119.31 ppm; 3.90 A): 3 out of 16 assignments used, quality = 1.00: QG1 VAL 54 + H TYR 4 OK 98 99 100 99 3.7-4.5 2.1/9227=54...(16) QD1 LEU 27 + H TYR 4 OK 92 100 100 92 4.2-5.3 8644/8119=37...(17) QG2 ILE 8 + H GLU 63 OK 39 51 100 76 4.3-5.0 10744/4.0=27...(11) QD2 LEU 2 - H TYR 4 poor 15 59 25 - 3.3-7.4 QG2 ILE 52 - H TYR 4 far 0 99 0 - 5.5-6.9 QG2 ILE 93 - H TYR 4 far 0 93 0 - 6.1-7.8 QD1 LEU 6 - H TYR 4 far 0 100 0 - 6.2-8.8 QD1 LEU 64 - H GLU 63 far 0 40 0 - 6.4-6.7 QG1 VAL 78 - H TYR 4 far 0 87 0 - 6.4-6.9 QD2 LEU 42 - H TYR 4 far 0 100 0 - 6.5-8.5 QD2 LEU 57 - H TYR 4 far 0 84 0 - 7.3-8.4 QD1 ILE 93 - H TYR 4 far 0 100 0 - 7.7-9.3 QD1 ILE 76 - H TYR 4 far 0 75 0 - 7.9-9.1 HG13 ILE 93 - H TYR 4 far 0 84 0 - 8.1-9.8 QD2 LEU 70 - H GLU 63 far 0 29 0 - 8.8-10.2 QG2 ILE 7 - H GLU 63 far 0 39 0 - 9.7-10.1 Violated in 2 structures by 0.00 A. Peak 8134 from nnoeabs.peaks (0.66, 8.36, 119.31 ppm; 3.95 A): 2 out of 9 assignments used, quality = 1.00: QG2 VAL 54 + H TYR 4 OK 100 100 100 100 3.3-3.8 9227=63, 3.2/10203=51...(19) QG2 VAL 58 + H GLU 63 OK 47 49 100 95 3.6-4.1 10220/4.0=37...(24) QD1 ILE 52 - H TYR 4 poor 18 61 50 57 4.6-6.5 8145/3.8=13, 3.2/8138=11...(10) QD2 LEU 6 - H TYR 4 far 0 77 0 - 5.8-7.3 QD2 LEU 29 - H TYR 4 far 0 97 0 - 7.0-9.6 QD1 LEU 29 - H TYR 4 far 0 100 0 - 7.2-9.5 QD1 LEU 42 - H TYR 4 far 0 73 0 - 9.1-10.5 QD1 ILE 7 - H TYR 4 far 0 65 0 - 9.6-10.2 QD1 LEU 14 - H GLU 63 far 0 48 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 8137 from nnoeabs.peaks (1.88, 8.36, 119.31 ppm; 4.81 A): 5 out of 7 assignments used, quality = 1.00: HB VAL 54 + H TYR 4 OK 100 100 100 100 5.1-5.6 2.1/9227=80...(11) HB VAL 5 + H TYR 4 OK 65 93 75 93 6.0-6.6 6053/4.6=54, ~8140=47...(9) HB2 LYS 53 + H TYR 4 OK 58 59 100 98 2.8-3.9 3.9/11098=60...(15) HB3 LYS 66 + H GLU 63 OK 47 49 100 96 4.3-6.1 2771/2.9=53, ~10240=40...(15) HB ILE 8 + H GLU 63 OK 44 53 100 83 5.6-6.3 ~10745=32, 8301/9394=32...(9) HB3 LYS 68 - H GLU 63 far 0 56 0 - 8.1-8.6 HG LEU 42 - H TYR 4 far 0 96 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 8138 from nnoeabs.peaks (1.69, 8.36, 119.31 ppm; 4.76 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 53 + H TYR 4 OK 100 100 100 100 3.5-4.5 8114/6037=72...(19) HB ILE 52 + H TYR 4 OK 43 91 55 86 5.2-8.2 4.5/11098=52...(11) HB2 LEU 2 + H TYR 4 OK 27 99 30 90 5.6-7.7 4.6/6032=52...(9) HD3 LYS 66 - H GLU 63 far 6 56 10 - 6.0-7.8 HB3 ARG 79 - H TYR 4 far 0 63 0 - 7.3-9.9 HG LEU 70 - H GLU 63 far 0 57 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 8160 from nnoeabs.peaks (8.46, 8.92, 119.95 ppm; 5.46 A): 1 out of 7 assignments used, quality = 0.98: H LEU 29 + H VAL 5 OK 98 98 100 100 4.2-4.8 2.9/8172=94, 4.6/8162=66...(20) H ILE 7 - H VAL 5 far 15 100 15 - 6.5-7.5 H VAL 54 - H VAL 5 far 4 84 5 - 6.9-7.6 H LYS 53 - H VAL 5 far 0 100 0 - 7.3-8.3 H THR 31 - H VAL 5 far 0 73 0 - 8.0-8.8 H ARG 79 - H VAL 5 far 0 68 0 - 8.1-9.2 H VAL 32 - H VAL 5 far 0 96 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 8161 from nnoeabs.peaks (8.65, 8.92, 119.95 ppm; 5.61 A): 1 out of 1 assignment used, quality = 0.98: H LEU 55 + H VAL 5 OK 98 98 100 100 3.8-4.3 9295/3.0=96...(18) Violated in 0 structures by 0.00 A. Peak 8162 from nnoeabs.peaks (9.09, 8.92, 119.95 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: H ARG 30 + H VAL 5 OK 100 100 100 100 3.9-4.7 10505=90, 6476/8172=76...(19) Violated in 8 structures by 0.06 A. Peak 8163 from nnoeabs.peaks (7.81, 8.92, 119.95 ppm; 4.80 A): 1 out of 4 assignments used, quality = 0.99: H GLU 28 + H VAL 5 OK 99 99 100 100 3.1-4.0 8650=79, 8655/3.6=67...(14) HE ARG 30 - H VAL 5 far 14 93 15 - 5.4-9.7 H LEU 3 - H VAL 5 far 0 65 0 - 6.8-7.3 H ASN 26 - H VAL 5 far 0 73 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 8172 from nnoeabs.peaks (5.66, 8.92, 119.95 ppm; 3.76 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 29 + H VAL 5 OK 99 100 100 99 2.2-3.2 8694=71, 8173/6053=49...(18) Violated in 0 structures by 0.00 A. Peak 8183 from nnoeabs.peaks (0.66, 8.92, 119.95 ppm; 4.06 A): 4 out of 7 assignments used, quality = 1.00: QG2 VAL 54 + H VAL 5 OK 93 100 95 98 4.8-5.7 9239/6048=45...(15) QD1 LEU 29 + H VAL 5 OK 74 100 75 99 3.7-5.9 1304/8172=52...(22) QD2 LEU 6 + H VAL 5 OK 74 77 100 96 2.9-5.4 8209/6050=29...(24) QD2 LEU 29 + H VAL 5 OK 38 97 40 97 3.6-6.2 4.1/8172=50...(16) QD1 ILE 52 - H VAL 5 far 0 61 0 - 6.6-8.6 QD1 ILE 7 - H VAL 5 far 0 65 0 - 6.8-7.6 QD1 LEU 42 - H VAL 5 far 0 73 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 8184 from nnoeabs.peaks (1.16, 8.92, 119.95 ppm; 4.78 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 29 + H VAL 5 OK 100 100 100 100 4.4-5.9 2.9/8172=84...(15) HB3 LEU 3 + H VAL 5 OK 41 99 55 74 5.9-7.1 6035/4.6=55, 109/146=27...(6) HB2 LEU 6 - H VAL 5 far 0 91 0 - 6.3-6.8 QG2 THR 31 - H VAL 5 far 0 94 0 - 7.9-8.8 Violated in 16 structures by 0.35 A. Peak 8185 from nnoeabs.peaks (1.34, 8.92, 119.95 ppm; 5.20 A): 2 out of 7 assignments used, quality = 0.99: HB3 LEU 27 + H VAL 5 OK 97 100 100 97 3.8-4.9 8634/6055=75...(9) HB3 ARG 30 + H VAL 5 OK 60 81 90 83 5.0-7.3 4.0/8162=67, 2.9/2625=18...(9) QB ALA 25 - H VAL 5 far 0 100 0 - 7.3-8.5 HB3 LEU 2 - H VAL 5 far 0 99 0 - 8.2-10.6 QB ALA 89 - H VAL 5 far 0 100 0 - 8.8-9.6 QB ALA 67 - H VAL 5 far 0 100 0 - 9.0-10.3 HG12 ILE 8 - H VAL 5 far 0 92 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8186 from nnoeabs.peaks (1.45, 8.92, 119.95 ppm; 4.54 A): 3 out of 10 assignments used, quality = 1.00: QB ALA 22 + H VAL 5 OK 97 99 100 98 3.8-4.6 8578/6055=52...(17) HB2 LEU 27 + H VAL 5 OK 95 98 100 96 4.3-5.4 8633/6055=60...(15) HG LEU 29 + H VAL 5 OK 29 99 30 99 4.4-6.4 3.6/8172=68...(13) HG13 ILE 52 - H VAL 5 far 0 98 0 - 7.6-11.5 HG3 LYS 53 - H VAL 5 far 0 88 0 - 9.2-10.6 QB ALA 71 - H VAL 5 far 0 68 0 - 9.3-10.6 HG2 LYS 53 - H VAL 5 far 0 94 0 - 9.4-10.5 HG12 ILE 7 - H VAL 5 far 0 91 0 - 9.6-10.5 HG LEU 38 - H VAL 5 far 0 97 0 - 9.6-13.5 HD2 LYS 53 - H VAL 5 far 0 97 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 8187 from nnoeabs.peaks (1.56, 8.92, 119.95 ppm; 4.42 A): 4 out of 12 assignments used, quality = 1.00: HB3 GLU 28 + H VAL 5 OK 99 100 100 99 4.2-5.3 10490=67, 1.8/8188=62...(9) HB3 LEU 29 + H VAL 5 OK 69 70 100 99 4.0-5.8 2.9/8172=75, 1.8/8184=49...(14) HG LEU 6 + H VAL 5 OK 54 63 90 94 4.3-6.4 209/4.7=25, 3.0/8203=22...(26) HG3 ARG 30 + H VAL 5 OK 33 73 70 65 4.4-6.7 4.9/8162=41, 2.9/8185=19...(8) HB2 LEU 3 - H VAL 5 far 0 99 0 - 6.0-7.0 HG12 ILE 56 - H VAL 5 far 0 75 0 - 6.4-9.1 HG LEU 27 - H VAL 5 far 0 65 0 - 6.6-7.3 HG2 ARG 19 - H VAL 5 far 0 88 0 - 7.4-10.9 HG2 ARG 79 - H VAL 5 far 0 81 0 - 8.6-12.0 HG3 ARG 79 - H VAL 5 far 0 82 0 - 8.8-12.2 HB2 ARG 79 - H VAL 5 far 0 61 0 - 9.0-12.4 HD3 LYS 53 - H VAL 5 far 0 99 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 8188 from nnoeabs.peaks (1.75, 8.92, 119.95 ppm; 5.07 A): 1 out of 4 assignments used, quality = 0.99: HB2 GLU 28 + H VAL 5 OK 99 100 100 99 3.7-4.9 1.8/10490=80...(6) HB VAL 78 - H VAL 5 far 0 71 0 - 7.7-9.1 HG3 ARG 19 - H VAL 5 far 0 98 0 - 8.2-10.1 HB ILE 56 - H VAL 5 far 0 96 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 8199 from nnoeabs.peaks (8.63, 9.31, 126.92 ppm; 4.46 A): 1 out of 2 assignments used, quality = 1.00: H LEU 55 + H LEU 6 OK 100 100 100 100 3.3-4.2 9294=99, 9295/6059=77...(17) H ALA 18 - H LEU 6 far 0 90 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 8216 from nnoeabs.peaks (4.88, 9.31, 126.92 ppm; 3.75 A): 1 out of 3 assignments used, quality = 0.97: HA ILE 56 + H LEU 6 OK 97 100 100 97 2.3-3.3 6930/9333=46...(17) HA THR 31 - H LEU 6 far 0 100 0 - 6.6-7.3 HA ARG 30 - H LEU 6 far 0 85 0 - 7.0-7.4 Violated in 0 structures by 0.00 A. Peak 8217 from nnoeabs.peaks (4.69, 9.31, 126.92 ppm; 6.04 A): 1 out of 4 assignments used, quality = 0.96: HA LEU 55 + H LEU 6 OK 96 96 100 100 4.5-4.9 2.9/8199=94...(12) HA ARG 79 - H LEU 6 far 0 84 0 - 8.8-9.4 HA LEU 27 - H LEU 6 far 0 70 0 - 9.4-10.2 HA LYS 82 - H LEU 6 far 0 96 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 8232 from nnoeabs.peaks (0.61, 9.31, 126.92 ppm; 4.24 A): 3 out of 3 assignments used, quality = 1.00: QG2 ILE 56 + H LEU 6 OK 98 98 100 100 3.6-5.0 9311=69, 3.2/8216=67...(22) QD1 ILE 7 + H LEU 6 OK 94 99 100 95 4.3-5.3 4.7/6071=40, ~8256=27...(20) QD2 LEU 29 + H LEU 6 OK 57 75 95 80 2.8-5.7 8684/2.9=30, ~8687=29...(12) Violated in 0 structures by 0.00 A. Peak 8233 from nnoeabs.peaks (1.37, 9.31, 126.92 ppm; 5.59 A): 4 out of 7 assignments used, quality = 0.99: HB3 ARG 30 + H LEU 6 OK 88 100 90 98 5.6-7.3 8699/2.9=70, ~8696=54...(12) HG12 ILE 8 + H LEU 6 OK 79 100 90 88 6.3-7.3 8312/9311=37...(11) QB ALA 67 + H LEU 6 OK 59 75 85 93 6.4-7.6 10677/9313=64...(8) QB ALA 89 + H LEU 6 OK 25 79 85 37 6.5-7.3 10693/9333=14...(6) HB3 LEU 27 - H LEU 6 far 0 87 0 - 7.3-8.2 QB ALA 25 - H LEU 6 far 0 79 0 - 8.9-10.3 HG LEU 14 - H LEU 6 far 0 94 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 8237 from nnoeabs.peaks (8.94, 8.46, 119.78 ppm; 5.43 A): 1 out of 3 assignments used, quality = 0.99: H LEU 57 + H ILE 7 OK 99 99 100 100 3.9-4.6 9332/3.0=94, 9333/4.6=66...(26) H VAL 5 - H ILE 7 far 14 91 15 - 6.5-7.5 H ARG 19 - H ILE 7 far 0 59 0 - 7.2-8.7 Violated in 0 structures by 0.00 A. Peak 8238 from nnoeabs.peaks (9.10, 8.46, 119.78 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.99: H ARG 30 + H ILE 7 OK 99 100 100 99 3.2-4.4 8698/6072=75, 6475=49...(21) H VAL 83 - H ILE 7 far 0 98 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 8251 from nnoeabs.peaks (4.89, 8.46, 119.78 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.96: HA THR 31 + H ILE 7 OK 85 100 100 85 2.4-3.1 3.0/8252=32, 8255/4.0=24...(14) HA ILE 56 + H ILE 7 OK 74 99 90 83 4.2-5.2 8216/6071=32...(16) HA ARG 30 - H ILE 7 poor 17 92 25 73 4.8-5.7 3.0/8238=40, 8255/4.0=13...(12) Violated in 0 structures by 0.00 A. Peak 8252 from nnoeabs.peaks (4.25, 8.46, 119.78 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.93: HB THR 31 + H ILE 7 OK 93 100 100 94 4.8-5.8 8264/4.0=55, 3.0/8251=43...(9) Violated in 19 structures by 0.35 A. Peak 8269 from nnoeabs.peaks (1.84, 8.46, 119.78 ppm; 5.26 A): 2 out of 4 assignments used, quality = 0.99: HB3 LEU 57 + H ILE 7 OK 98 98 100 100 4.9-5.5 8272/3.0=86, 8284/257=65...(25) HB VAL 5 + H ILE 7 OK 49 85 60 96 5.6-6.9 4.4/6071=64...(11) HB ILE 93 - H ILE 7 far 0 71 0 - 9.7-11.2 HB3 LYS 66 - H ILE 7 far 0 85 0 - 9.9-12.5 Violated in 1 structures by 0.00 A. Peak 8270 from nnoeabs.peaks (1.94, 8.46, 119.78 ppm; 5.04 A): 1 out of 6 assignments used, quality = 0.87: HB VAL 32 + H ILE 7 OK 87 100 95 91 4.7-6.6 8728/8252=30, 1395=29...(11) HB2 GLU 37 - H ILE 7 far 0 59 0 - 7.4-10.3 HB3 ARG 19 - H ILE 7 far 0 99 0 - 7.8-10.2 HB2 LYS 33 - H ILE 7 far 0 91 0 - 9.6-11.3 HB3 LEU 14 - H ILE 7 far 0 65 0 - 9.6-10.2 HB3 LYS 33 - H ILE 7 far 0 88 0 - 9.9-11.6 Violated in 14 structures by 0.26 A. Peak 8288 from nnoeabs.peaks (1.19, 8.80, 128.92 ppm; 4.51 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 57 + H ILE 8 OK 99 100 100 100 4.3-5.1 1.8/8289=85...(14) HB2 LEU 6 + H ILE 8 OK 90 99 100 91 5.3-5.8 4.3/6084=48...(12) QB ALA 18 - H ILE 8 far 0 59 0 - 6.0-6.5 HB2 LEU 29 - H ILE 8 far 0 79 0 - 9.0-10.7 QG2 THR 34 - H ILE 8 far 0 97 0 - 9.5-10.4 Violated in 4 structures by 0.02 A. Peak 8289 from nnoeabs.peaks (1.82, 8.80, 128.92 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 57 + H ILE 8 OK 100 100 100 100 3.7-4.4 8272/6087=67...(19) HB2 GLU 88 - H ILE 8 far 0 98 0 - 9.6-11.2 Violated in 4 structures by 0.01 A. Peak 8290 from nnoeabs.peaks (2.60, 8.80, 128.92 ppm; 5.59 A): 1 out of 1 assignment used, quality = 1.00: HB VAL 58 + H ILE 8 OK 100 100 100 100 4.2-4.8 3.0/8298=95...(18) Violated in 0 structures by 0.00 A. Peak 8292 from nnoeabs.peaks (8.92, 8.80, 128.92 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: H LEU 57 + H ILE 8 OK 100 100 100 100 3.4-4.1 9332/6087=74...(22) H ARG 19 - H ILE 8 far 0 87 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 8298 from nnoeabs.peaks (5.25, 8.80, 128.92 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 58 + H ILE 8 OK 99 100 100 99 2.2-2.6 9374/6094=55, 2654=49...(18) Violated in 0 structures by 0.00 A. Peak 8314 from nnoeabs.peaks (1.14, 7.81, 116.36 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 31 + H SER 9 OK 100 100 100 100 3.3-4.9 4.0/8346=56, 10515=56...(15) HB2 LEU 6 - H SER 9 far 0 63 0 - 7.6-8.0 QG2 THR 34 - H SER 9 far 0 73 0 - 8.3-9.2 HG3 LYS 82 - H SER 9 far 0 100 0 - 9.5-11.3 Violated in 2 structures by 0.01 A. Peak 8315 from nnoeabs.peaks (1.53, 7.81, 116.36 ppm; 5.07 A): 1 out of 9 assignments used, quality = 1.00: HB ILE 7 + H SER 9 OK 100 100 100 100 5.6-5.8 8732/8314=67...(14) HG3 LYS 33 - H SER 9 far 0 88 0 - 7.2-8.7 HG2 LYS 33 - H SER 9 far 0 91 0 - 7.7-9.3 HB2 LEU 14 - H SER 9 far 0 100 0 - 7.7-8.6 HG LEU 6 - H SER 9 far 0 100 0 - 8.3-10.8 HG LEU 57 - H SER 9 far 0 84 0 - 9.0-9.6 HG12 ILE 56 - H SER 9 far 0 100 0 - 9.7-11.9 HG3 LYS 13 - H SER 9 far 0 77 0 - 9.7-10.8 HB3 LEU 64 - H SER 9 far 0 63 0 - 9.8-10.7 Violated in 20 structures by 0.63 A. Peak 8316 from nnoeabs.peaks (1.73, 7.81, 116.36 ppm; 5.43 A): 3 out of 10 assignments used, quality = 0.99: HB ILE 15 + H SER 9 OK 96 100 100 96 5.6-6.5 3.2/8436=71...(9) HG12 ILE 15 + H SER 9 OK 70 71 100 98 3.5-4.2 2.1/8436=83...(14) HD3 LYS 33 + H SER 9 OK 23 100 90 26 4.8-7.5 8733/8314=14...(3) HD2 LYS 33 - H SER 9 lone 9 100 75 12 4.8-7.2 8727/8337=11 HD2 LYS 12 - H SER 9 far 0 84 0 - 7.7-9.3 HD3 LYS 12 - H SER 9 far 0 84 0 - 8.1-11.0 HG3 ARG 19 - H SER 9 far 0 70 0 - 8.7-12.6 HD2 LYS 13 - H SER 9 far 0 84 0 - 9.2-11.1 HD3 LYS 13 - H SER 9 far 0 87 0 - 9.3-10.4 HB ILE 56 - H SER 9 far 0 63 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8332 from nnoeabs.peaks (0.77, 8.65, 122.44 ppm; 3.97 A): 4 out of 18 assignments used, quality = 1.00: QD1 ILE 93 + H ALA 18 OK 98 100 100 98 3.9-5.3 10020/2.9=74...(21) QD1 ILE 15 + H ASN 10 OK 82 83 100 98 3.6-4.5 8356/3.0=63, 8357/4.0=35...(17) QD1 ILE 15 + H ASP 11 OK 61 63 100 97 2.5-3.1 8356/3.6=55, 8380/4.7=34...(19) HG13 ILE 15 + H ASP 11 OK 26 60 70 63 5.2-6.0 2.1/8439=28, ~8448=13...(12) QG2 ILE 7 - H ALA 18 poor 15 73 20 - 5.0-6.0 QG2 ILE 8 - H ASN 10 far 7 73 10 - 5.3-5.8 QG2 ILE 7 - H ASP 11 far 4 40 10 - 5.3-5.8 QG2 ILE 7 - H ASN 10 far 0 55 0 - 5.8-6.2 QD1 ILE 15 - H ALA 18 far 0 100 0 - 6.0-6.5 HG13 ILE 15 - H ASN 10 far 0 80 0 - 6.0-7.0 QG2 ILE 93 - H ALA 18 far 0 96 0 - 6.4-7.9 HG13 ILE 93 - H ALA 18 far 0 88 0 - 6.7-8.3 HG13 ILE 15 - H ALA 18 far 0 98 0 - 6.7-7.1 QD2 LEU 57 - H ALA 18 far 0 79 0 - 6.7-8.4 QG2 ILE 8 - H ASP 11 far 0 53 0 - 6.8-7.1 QD1 LEU 27 - H ALA 18 far 0 100 0 - 8.6-10.0 QD1 LEU 6 - H ALA 18 far 0 100 0 - 9.4-11.7 QD2 LEU 57 - H ASP 11 far 0 43 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8333 from nnoeabs.peaks (0.67, 8.65, 122.44 ppm; 4.18 A): 7 out of 18 assignments used, quality = 1.00: QD1 LEU 14 + H ALA 18 OK 93 99 95 99 4.5-5.9 4.0/8395=37...(25) QD2 LEU 29 + H ALA 18 OK 78 82 100 95 3.7-5.6 ~8672=36, 8693/6281=26...(22) QD2 LEU 14 + H ALA 18 OK 58 59 100 98 4.3-5.3 4.0/8395=37, 2.1/8334=31...(28) QD1 LEU 29 + H ALA 18 OK 55 96 60 96 4.2-6.0 8672/2.9=60...(19) QD1 LEU 14 + H ASP 11 OK 54 62 95 92 5.1-6.2 8398=32, 8417/4.0=26...(15) QD2 LEU 14 + H ASN 10 OK 31 44 100 71 4.8-5.3 8317/3.6=21, 8324/4.6=15...(14) QD2 LEU 14 + H ASP 11 OK 28 31 100 90 3.6-4.0 2.1/8398=27, 8367/4.0=20...(18) QD1 LEU 14 - H ASN 10 far 0 83 0 - 6.1-7.3 QG2 VAL 58 - H ASN 10 far 0 84 0 - 7.4-8.4 QD1 ILE 8 - H ASN 10 far 0 42 0 - 7.9-8.4 QG2 VAL 58 - H ASP 11 far 0 63 0 - 8.2-9.1 QD1 ILE 8 - H ASP 11 far 0 30 0 - 8.4-9.3 QD2 LEU 29 - H ASP 11 far 0 46 0 - 8.8-10.2 QD1 LEU 29 - H ASP 11 far 0 57 0 - 9.2-10.1 QD2 LEU 6 - H ALA 18 far 0 95 0 - 9.3-11.1 QD1 ILE 8 - H ALA 18 far 0 57 0 - 9.7-11.9 QD2 LEU 29 - H ASN 10 far 0 63 0 - 9.8-10.8 QD1 LEU 29 - H ASN 10 far 0 77 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 8334 from nnoeabs.peaks (1.33, 8.65, 122.44 ppm; 4.55 A): 2 out of 9 assignments used, quality = 1.00: QB ALA 89 + H ALA 18 OK 98 100 100 98 3.5-4.3 9940=74, 12030/2.9=34...(20) HG LEU 14 + H ALA 18 OK 95 96 100 99 3.9-4.6 611/8395=45...(24) HG LEU 14 - H ASP 11 far 0 57 0 - 6.6-7.0 QB ALA 89 - H ASP 11 far 0 63 0 - 7.3-8.3 HG LEU 14 - H ASN 10 far 0 77 0 - 8.1-8.7 QB ALA 89 - H ASN 10 far 0 84 0 - 8.3-9.3 HG12 ILE 8 - H ASN 10 far 0 60 0 - 8.6-8.9 QB ALA 25 - H ALA 18 far 0 100 0 - 9.1-10.0 HG12 ILE 8 - H ASP 11 far 0 43 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 8335 from nnoeabs.peaks (1.71, 8.65, 122.44 ppm; 4.96 A): 10 out of 30 assignments used, quality = 1.00: HB ILE 15 + H ALA 18 OK 93 93 100 100 5.5-5.8 3.0/6263=77, 652/6242=56...(15) HG12 ILE 15 + H ALA 18 OK 91 95 100 95 5.7-6.0 4.1/6263=64...(16) HG12 ILE 15 + H ASN 10 OK 66 76 90 96 5.6-6.8 ~8356=57, ~8449=54...(12) HD3 LYS 90 + H ALA 18 OK 63 97 80 81 4.0-7.9 10433/6269=27...(15) HD2 LYS 20 + H ALA 18 OK 50 71 95 74 4.4-6.5 5.9/6296=39, 661/6259=17...(11) HG12 ILE 15 + H ASP 11 OK 47 56 100 83 4.4-5.5 2.1/8439=43, ~8448=22...(14) HG3 LYS 20 + H ALA 18 OK 46 65 95 75 4.1-6.9 4.9/6296=49, 894/3.6=20...(7) HD2 LYS 90 + H ALA 18 OK 41 79 70 74 4.1-7.3 5.2/6262=21, 6.1/6264=13...(14) HB ILE 15 + H ASP 11 OK 39 54 95 75 5.3-6.5 3.2/8439=36, ~8448=17...(9) HD3 LYS 20 + H ALA 18 OK 33 65 80 64 4.6-6.9 5.9/6296=39, ~8484=8...(9) HD3 LYS 13 - H ASP 11 poor 13 62 60 35 5.3-7.1 437/4.7=8, 445/4.0=8...(8) HD2 LYS 13 - H ASP 11 poor 11 61 50 35 5.6-6.9 437/4.7=8, 456/4.0=8...(8) HD3 LYS 13 - H ALA 18 far 5 99 5 - 6.4-10.1 HD2 LYS 13 - H ALA 18 far 5 99 5 - 6.4-10.0 HD2 LYS 12 - H ASP 11 far 3 61 5 - 6.4-8.0 HD2 LYS 33 - H ASN 10 far 0 79 0 - 6.6-9.3 HG2 PRO 86 - H ALA 18 far 0 94 0 - 6.8-8.1 HD3 LYS 12 - H ASP 11 far 0 61 0 - 6.9-9.1 HD3 LYS 33 - H ASN 10 far 0 79 0 - 6.9-10.7 HB ILE 15 - H ASN 10 far 0 74 0 - 7.0-8.3 HD3 LYS 13 - H ASN 10 far 0 83 0 - 7.3-9.4 HD2 LYS 12 - H ALA 18 far 0 99 0 - 7.5-10.0 HD2 LYS 13 - H ASN 10 far 0 82 0 - 7.6-9.2 HD2 LYS 12 - H ASN 10 far 0 82 0 - 7.6-10.1 HD2 LYS 33 - H ASP 11 far 0 59 0 - 7.7-10.0 HD3 LYS 12 - H ASN 10 far 0 82 0 - 7.8-11.3 HD3 LYS 33 - H ASP 11 far 0 59 0 - 8.2-11.1 HD3 LYS 12 - H ALA 18 far 0 99 0 - 8.2-11.6 HG2 PRO 86 - H ASP 11 far 0 55 0 - 9.3-9.8 HB3 ARG 91 - H ALA 18 far 0 81 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 8337 from nnoeabs.peaks (4.23, 7.81, 116.36 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.98: HB THR 31 + H SER 9 OK 98 98 100 100 4.4-6.0 2.1/8314=94...(13) Violated in 1 structures by 0.02 A. Peak 8338 from nnoeabs.peaks (4.91, 7.81, 116.36 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.97: HA THR 31 + H SER 9 OK 85 87 100 97 4.8-6.0 3.2/8314=70, 3.6/8346=70...(6) HA ASN 10 + H SER 9 OK 80 84 100 96 4.6-4.8 ~6114=50, 8449/8436=48...(7) HA ILE 56 - H SER 9 far 0 71 0 - 8.5-9.2 HA ARG 30 - H SER 9 far 0 100 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 8339 from nnoeabs.peaks (5.14, 7.81, 116.36 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 7 + H SER 9 OK 100 100 100 100 5.0-5.2 6087/4.6=84, 3.0/8315=76...(12) Violated in 0 structures by 0.00 A. Peak 8340 from nnoeabs.peaks (6.07, 7.81, 116.36 ppm; 5.44 A): 1 out of 1 assignment used, quality = 0.99: HG SER 9 + H SER 9 OK 99 99 100 100 4.7-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 8346 from nnoeabs.peaks (8.49, 7.81, 116.36 ppm; 4.35 A): 1 out of 3 assignments used, quality = 0.98: H VAL 32 + H SER 9 OK 98 98 100 100 4.0-5.3 10147/6102=64, 10516=63...(18) H ILE 7 - H SER 9 far 0 70 0 - 5.9-6.2 H THR 31 - H SER 9 far 0 100 0 - 7.6-8.8 Violated in 9 structures by 0.19 A. Peak 8350 from nnoeabs.peaks (6.06, 8.64, 122.61 ppm; 4.26 A): 1 out of 2 assignments used, quality = 0.95: HG SER 9 + H ASN 10 OK 95 100 100 95 2.7-3.8 4.1/6114=63, 2.8/6116=60...(8) HG SER 9 - H ALA 18 far 0 85 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 8369 from nnoeabs.peaks (0.71, 8.67, 122.72 ppm; 3.93 A): 4 out of 11 assignments used, quality = 1.00: QD2 LEU 14 + H ASP 11 OK 98 100 100 98 3.6-4.0 3.1/8370=35, 8400=31...(20) QD2 LEU 14 + H ALA 18 OK 63 64 100 99 4.3-5.3 12013/2.9=46...(27) QD1 LEU 14 + H ALA 18 OK 32 42 80 96 4.5-5.9 4.0/8395=32...(22) QD1 LEU 14 + H ASP 11 OK 25 77 35 94 5.1-6.2 3.1/8370=35...(16) QG1 VAL 5 - H ALA 18 far 0 54 0 - 6.1-7.1 HG13 ILE 93 - H ALA 18 far 0 35 0 - 6.7-8.3 QG2 VAL 58 - H ASP 11 far 0 73 0 - 8.2-9.1 QG1 VAL 58 - H ASP 11 far 0 98 0 - 8.4-9.2 QD1 ILE 8 - H ASP 11 far 0 100 0 - 8.4-9.3 QD2 LEU 6 - H ALA 18 far 0 52 0 - 9.3-11.1 QD1 ILE 8 - H ALA 18 far 0 64 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 8370 from nnoeabs.peaks (1.90, 8.67, 122.72 ppm; 4.06 A): 2 out of 17 assignments used, quality = 0.97: HB3 LEU 14 + H ASP 11 OK 94 100 100 94 4.4-4.8 8362/4.0=47, 3.1/8369=27...(18) HB2 ARG 19 + H ALA 18 OK 54 62 90 97 4.2-6.2 789/6281=57...(17) HB3 ARG 19 - H ALA 18 far 7 45 15 - 4.3-6.0 HB3 LEU 14 - H ALA 18 far 0 64 0 - 5.7-6.2 HB2 LYS 20 - H ALA 18 far 0 60 0 - 5.8-7.1 HB3 LYS 20 - H ALA 18 far 0 38 0 - 6.0-7.3 HB3 LYS 12 - H ASP 11 far 0 68 0 - 6.0-6.7 HB2 LYS 12 - H ASP 11 far 0 63 0 - 6.4-7.2 HB2 LYS 13 - H ALA 18 far 0 58 0 - 6.8-7.8 HB3 LYS 13 - H ASP 11 far 0 98 0 - 7.3-7.9 HB2 LYS 13 - H ASP 11 far 0 96 0 - 7.7-8.1 HB3 LYS 13 - H ALA 18 far 0 59 0 - 8.0-8.9 HB ILE 8 - H ASP 11 far 0 100 0 - 8.2-8.6 HB2 LYS 12 - H ALA 18 far 0 33 0 - 8.3-9.4 HB3 LYS 12 - H ALA 18 far 0 36 0 - 8.9-10.1 HB2 LYS 33 - H ASP 11 far 0 96 0 - 9.1-11.0 HB VAL 32 - H ASP 11 far 0 59 0 - 9.9-11.2 Violated in 3 structures by 0.04 A. Peak 8371 from nnoeabs.peaks (1.52, 8.67, 122.72 ppm; 5.06 A): 4 out of 8 assignments used, quality = 1.00: HB2 LEU 14 + H ASP 11 OK 99 100 100 99 6.0-6.4 1.8/8370=62...(14) HB2 LEU 14 + H ALA 18 OK 64 64 100 100 5.4-6.2 3.0/8395=63, 3.1/8398=36...(21) HB ILE 7 + H ALA 18 OK 57 64 90 99 5.7-6.7 3.2/10378=55, ~8283=48...(20) HG3 LYS 13 + H ASP 11 OK 52 84 100 62 6.1-6.5 8363/4.0=27, 8366/4.0=23...(6) HG LEU 57 - H ALA 18 far 3 51 5 - 6.6-8.3 HG3 LYS 13 - H ALA 18 far 0 47 0 - 7.5-9.5 HB ILE 7 - H ASP 11 far 0 100 0 - 8.4-9.1 HB2 ARG 91 - H ALA 18 far 0 33 0 - 9.1-10.6 Violated in 0 structures by 0.00 A. Peak 8372 from nnoeabs.peaks (6.07, 8.67, 122.72 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.95: HG SER 9 + H ASP 11 OK 95 100 100 95 2.1-3.4 2.8/10388=50...(12) HG SER 9 - H ALA 18 far 0 63 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 8380 from nnoeabs.peaks (0.75, 8.56, 125.74 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 15 + H LYS 12 OK 100 100 100 100 3.0-3.3 8446/2.9=77, 8438=52...(32) HG13 ILE 15 - H LYS 12 far 0 100 0 - 6.0-6.2 QG2 ILE 8 - H LYS 12 far 0 71 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 8383 from nnoeabs.peaks (0.76, 8.07, 119.60 ppm; 5.09 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 15 + H LYS 13 OK 100 100 100 100 3.8-4.4 8446/3.6=84...(18) HG13 ILE 15 - H LYS 13 far 0 100 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 8384 from nnoeabs.peaks (0.72, 8.07, 119.60 ppm; 5.06 A): 2 out of 3 assignments used, quality = 0.98: QD2 LEU 14 + H LYS 13 OK 95 96 100 99 5.1-5.6 626/6182=76, 4.0/8389=54...(15) QD1 ILE 15 + H LYS 13 OK 65 68 100 97 3.8-4.4 8446/3.6=49...(17) HG13 ILE 15 - H LYS 13 far 0 77 0 - 6.9-7.3 Violated in 0 structures by 0.00 A. Peak 8389 from nnoeabs.peaks (3.67, 8.07, 119.60 ppm; 5.31 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 14 + H LYS 13 OK 99 99 100 100 5.4-5.5 3.0/6182=98, 8391/2.9=70...(12) Violated in 20 structures by 0.14 A. Peak 8390 from nnoeabs.peaks (4.62, 8.07, 119.60 ppm; 4.68 A): 1 out of 1 assignment used, quality = 0.85: HA ASP 11 + H LYS 13 OK 85 87 100 98 3.3-3.5 3.6/6163=77...(12) Violated in 0 structures by 0.00 A. Peak 8394 from nnoeabs.peaks (8.68, 7.55, 122.27 ppm; 5.45 A): 2 out of 3 assignments used, quality = 1.00: H ASP 11 + H LEU 14 OK 99 99 100 100 5.0-5.3 3.0/8419=64...(17) H ALA 18 + H LEU 14 OK 83 84 100 99 5.6-6.3 8395/3.0=68...(17) H ASN 10 - H LEU 14 far 0 57 0 - 7.3-7.7 Violated in 0 structures by 0.00 A. Peak 8418 from nnoeabs.peaks (2.45, 7.55, 122.27 ppm; 4.77 A): 2 out of 2 assignments used, quality = 0.99: HB2 ASP 11 + H LEU 14 OK 91 91 100 100 3.9-4.3 1.8/8379=64, 8377=61...(15) HG3 GLU 17 + H LEU 14 OK 85 87 100 98 4.3-5.4 ~8477=44, 8478/3.0=37...(26) Violated in 0 structures by 0.00 A. Peak 8419 from nnoeabs.peaks (4.60, 7.55, 122.27 ppm; 5.79 A): 1 out of 3 assignments used, quality = 1.00: HA ASP 11 + H LEU 14 OK 100 100 100 100 4.3-4.6 369/6185=77, 3.0/8379=76...(12) HA THR 84 - H LEU 14 far 0 90 0 - 8.1-9.3 HA ILE 8 - H LEU 14 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 8460 from nnoeabs.peaks (1.23, 8.07, 118.21 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 18 + H ILE 15 OK 99 100 100 99 4.3-4.8 643/3.0=73, 8494=30...(16) QB ALA 18 + H GLU 17 OK 92 93 100 98 4.3-4.5 2.9/6259=67...(15) HB2 LEU 57 - H ILE 15 far 0 75 0 - 7.3-9.3 HB2 LEU 57 - H GLU 17 far 0 65 0 - 9.4-11.3 QG2 THR 84 - H ILE 15 far 0 96 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8461 from nnoeabs.peaks (2.99, 8.07, 118.21 ppm; 4.49 A): 2 out of 14 assignments used, quality = 1.00: HB3 ASP 11 + H ILE 15 OK 96 100 100 96 3.4-4.3 8379/6209=46...(15) HB2 SER 9 + H ILE 15 OK 92 100 95 97 4.3-6.3 8444/669=47...(17) HE2 LYS 12 - H ILE 15 far 0 92 0 - 6.2-8.3 HE3 LYS 13 - H GLU 17 far 0 69 0 - 6.2-8.7 HE3 LYS 13 - H ILE 15 far 0 79 0 - 6.6-8.2 HE3 LYS 12 - H ILE 15 far 0 90 0 - 6.7-8.8 HE2 LYS 13 - H GLU 17 far 0 72 0 - 6.8-8.9 HE2 LYS 13 - H ILE 15 far 0 82 0 - 6.9-7.5 HB3 ASP 11 - H GLU 17 far 0 92 0 - 7.1-7.5 HE3 LYS 12 - H GLU 17 far 0 79 0 - 8.4-11.2 HE2 LYS 12 - H GLU 17 far 0 82 0 - 8.5-11.0 HB2 SER 9 - H GLU 17 far 0 93 0 - 8.7-10.4 HE2 LYS 33 - H ILE 15 far 0 71 0 - 9.2-12.0 HE3 LYS 33 - H ILE 15 far 0 71 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 8472 from nnoeabs.peaks (1.24, 8.02, 118.48 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.96: QB ALA 18 + H GLU 16 OK 96 96 100 100 4.4-4.8 643/3.6=90, 2.9/6242=84...(20) Violated in 0 structures by 0.00 A. Peak 8473 from nnoeabs.peaks (1.45, 8.02, 118.48 ppm; 5.24 A): 5 out of 13 assignments used, quality = 1.00: HG2 LYS 12 + H GLU 16 OK 87 99 100 87 4.8-6.7 10394/660=50...(8) HG2 LYS 20 + H GLU 16 OK 86 100 100 86 6.1-6.7 10461/6238=29...(15) HG2 LYS 13 + H GLU 16 OK 85 88 100 97 5.3-5.5 3.9/492=80, 6191/6204=49...(10) HG13 ILE 76 + H ARG 46 OK 58 58 100 100 3.6-4.9 2.1/9630=87, ~9639=62...(22) HG2 LYS 47 + H ARG 46 OK 27 33 90 90 3.7-6.9 4.9/6761=69...(14) HG13 ILE 52 - H ARG 46 poor 19 65 30 - 4.8-8.0 HG12 ILE 7 - H GLU 16 far 8 79 10 - 5.9-8.1 HG LEU 29 - H GLU 16 far 0 94 0 - 7.3-9.0 HD3 LYS 40 - H ARG 46 far 0 61 0 - 8.1-11.7 HG3 LYS 39 - H ARG 46 far 0 61 0 - 8.5-11.5 QB ALA 22 - H GLU 16 far 0 94 0 - 8.6-9.3 HD2 LYS 40 - H ARG 46 far 0 62 0 - 9.1-11.3 HG2 LYS 53 - H ARG 46 far 0 63 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 8474 from nnoeabs.peaks (1.52, 8.02, 118.48 ppm; 5.42 A): 3 out of 8 assignments used, quality = 1.00: HB2 LEU 14 + H GLU 16 OK 99 100 100 99 5.6-6.1 594/6204=83, 6211/4.6=73...(10) HG3 LYS 13 + H GLU 16 OK 68 82 90 92 5.8-7.0 3.9/492=83, 6198/6204=39 HG2 LYS 47 + H ARG 46 OK 33 39 95 89 3.7-6.9 4.9/6761=72...(11) HB ILE 7 - H GLU 16 far 5 100 5 - 6.9-7.4 HG LEU 2 - H ARG 46 far 0 63 0 - 8.8-11.3 HG LEU 6 - H ARG 46 far 0 65 0 - 8.8-11.1 HG LEU 57 - H GLU 16 far 0 88 0 - 9.4-11.2 HD3 LYS 53 - H ARG 46 far 0 46 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 8475 from nnoeabs.peaks (1.90, 8.02, 118.48 ppm; 4.04 A): 5 out of 14 assignments used, quality = 1.00: HB3 LEU 14 + H GLU 16 OK 91 100 100 91 4.9-5.3 602/6204=51, 6212/4.6=32...(13) HB2 ARG 19 + H GLU 16 OK 85 100 90 95 4.6-7.1 789/10416=35, 733/3.0=30...(19) HB2 GLU 43 + H ARG 46 OK 47 63 100 75 4.7-5.3 6706/6716=40...(9) HB2 LYS 12 + H GLU 16 OK 37 71 90 57 4.5-5.6 3.0/6225=30, 8465/676=14...(6) HB3 LYS 12 + H GLU 16 OK 28 75 80 47 5.2-6.3 3.0/6225=30, 8466/684=13...(4) HB3 LYS 47 - H ARG 46 poor 20 47 60 70 4.7-6.2 4.0/6761=54, 3.0/6226=10...(7) HB2 LYS 13 - H GLU 16 far 14 93 15 - 5.4-5.7 HB3 ARG 19 - H GLU 16 far 4 73 5 - 4.8-6.8 HB3 LYS 13 - H GLU 16 far 0 95 0 - 5.8-6.0 HB VAL 54 - H ARG 46 far 0 61 0 - 6.6-9.0 HG LEU 42 - H ARG 46 far 0 65 0 - 6.7-7.6 HB2 LYS 20 - H GLU 16 far 0 99 0 - 7.6-8.6 HB3 LYS 20 - H GLU 16 far 0 63 0 - 8.2-9.3 HB3 LYS 39 - H ARG 46 far 0 37 0 - 8.3-9.8 Violated in 1 structures by 0.00 A. Peak 8476 from nnoeabs.peaks (1.97, 8.02, 118.48 ppm; 4.41 A): 7 out of 11 assignments used, quality = 0.98: HB2 ARG 46 + H ARG 46 OK 64 64 100 100 2.1-3.6 4.0=100 HB3 ARG 46 + H ARG 46 OK 63 63 100 100 2.1-3.6 4.0=100 HB2 GLU 17 + H GLU 16 OK 42 82 70 72 4.7-6.4 4.6/6242=40, 4.0/6241=39...(5) HB2 GLU 44 + H ARG 46 OK 35 41 100 87 4.8-5.8 4.7/6734=53, 3.9/6716=46...(8) HB3 GLU 44 + H ARG 46 OK 31 41 90 85 5.1-6.1 4.7/6734=53, 3.9/6716=46...(6) HB2 LYS 47 + H ARG 46 OK 22 65 40 86 4.2-6.4 2134/6761=72...(10) HB3 MET 74 + H ARG 46 OK 21 64 55 60 4.8-7.0 9670/9630=14...(11) QE MET 74 - H ARG 46 poor 20 39 50 - 5.2-6.8 HB3 GLU 17 - H GLU 16 poor 18 61 30 - 4.8-6.3 HB3 ARG 19 - H GLU 16 far 3 59 5 - 4.8-6.8 HB3 LYS 20 - H GLU 16 far 0 70 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 8499 from nnoeabs.peaks (8.51, 8.90, 118.56 ppm; 5.61 A): 0 out of 2 assignments used, quality = 0.00: H THR 31 - H ARG 19 far 0 97 0 - 8.3-9.3 H VAL 32 - H ARG 19 far 0 77 0 - 9.8-10.6 Violated in 20 structures by 2.76 A. Peak 8500 from nnoeabs.peaks (8.31, 8.90, 118.56 ppm; 5.71 A): 1 out of 1 assignment used, quality = 0.64: H GLU 23 + H ARG 19 OK 64 71 100 89 5.8-6.6 6339/6292=32...(10) Violated in 20 structures by 0.41 A. Peak 8504 from nnoeabs.peaks (0.80, 8.90, 118.56 ppm; 4.00 A): 3 out of 9 assignments used, quality = 1.00: QG2 ILE 15 + H ARG 19 OK 96 97 100 99 3.8-4.4 10415=66, 3.2/6277=47...(20) QD1 ILE 93 + H ARG 19 OK 76 84 100 90 4.0-5.3 10020/6283=56...(15) QG2 ILE 7 + H ARG 19 OK 60 100 65 93 4.9-5.7 8283/6283=49, 8245=23...(17) QD1 ILE 15 - H ARG 19 far 0 65 0 - 6.4-7.0 QD2 LEU 57 - H ARG 19 far 0 100 0 - 6.9-8.7 QD1 LEU 27 - H ARG 19 far 0 82 0 - 7.9-9.2 QD1 LEU 57 - H ARG 19 far 0 73 0 - 8.2-9.6 QD1 LEU 6 - H ARG 19 far 0 85 0 - 8.2-10.8 QG2 VAL 32 - H ARG 19 far 0 65 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 8505 from nnoeabs.peaks (0.65, 8.90, 118.56 ppm; 3.53 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + H ARG 19 OK 99 100 100 99 2.3-4.8 8673/6288=43, 8693=36...(35) QD1 LEU 29 + H ARG 19 OK 94 100 95 99 2.7-5.0 8672/6283=44...(33) QD1 ILE 7 + H ARG 19 OK 66 82 95 84 4.1-5.0 8278/6283=24...(18) QD1 LEU 14 - H ARG 19 far 0 77 0 - 6.1-7.6 QD2 LEU 6 - H ARG 19 far 0 59 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 8506 from nnoeabs.peaks (1.45, 8.90, 118.56 ppm; 4.45 A): 3 out of 8 assignments used, quality = 1.00: HG LEU 29 + H ARG 19 OK 97 98 100 99 3.3-5.8 2.1/8693=48, 2.1/8691=35...(27) QB ALA 22 + H ARG 19 OK 96 98 100 98 4.9-5.4 1007/3.0=41, 3.6/8500=39...(19) HG2 LYS 20 + H ARG 19 OK 90 99 100 91 3.5-4.0 882/6291=65...(13) HG12 ILE 7 - H ARG 19 far 4 87 5 - 5.8-7.9 HB2 LEU 27 - H ARG 19 far 0 99 0 - 8.8-9.5 HG2 LYS 12 - H ARG 19 far 0 100 0 - 9.1-10.8 HG2 LYS 13 - H ARG 19 far 0 94 0 - 9.3-9.7 HG3 ARG 91 - H ARG 19 far 0 100 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 8526 from nnoeabs.peaks (1.24, 7.79, 118.64 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.98: QB ALA 18 + H LYS 20 OK 98 98 100 100 4.4-4.9 6283/6291=87, 8495=75...(20) Violated in 0 structures by 0.00 A. Peak 8527 from nnoeabs.peaks (0.77, 7.79, 118.64 ppm; 5.33 A): 3 out of 10 assignments used, quality = 1.00: QD1 ILE 93 + H LYS 20 OK 99 100 100 99 4.6-6.1 10020/8526=68...(13) QG2 ILE 15 + H LYS 20 OK 64 68 100 95 5.7-6.3 10415/6291=46...(9) QG2 ILE 93 + H LYS 20 OK 59 87 85 80 6.1-7.6 11002/6343=51...(6) QG2 ILE 7 - H LYS 20 far 0 87 0 - 7.3-8.0 QD1 LEU 27 - H LYS 20 far 0 100 0 - 7.6-9.3 HG13 ILE 93 - H LYS 20 far 0 75 0 - 7.7-9.6 QD2 LEU 57 - H LYS 20 far 0 91 0 - 8.4-10.4 QD1 ILE 15 - H LYS 20 far 0 96 0 - 8.5-9.0 HG13 ILE 15 - H LYS 20 far 0 92 0 - 9.1-9.7 QD1 LEU 6 - H LYS 20 far 0 100 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 8528 from nnoeabs.peaks (0.66, 7.79, 118.64 ppm; 4.86 A): 2 out of 5 assignments used, quality = 0.92: QD2 LEU 29 + H LYS 20 OK 87 98 90 100 4.1-6.5 8673/6303=64...(22) QD1 LEU 29 + H LYS 20 OK 40 100 40 99 4.3-6.8 8688/3.6=48...(18) QD1 ILE 7 - H LYS 20 far 7 68 10 - 6.0-7.2 QD1 LEU 14 - H LYS 20 far 0 90 0 - 8.0-9.4 QD2 LEU 6 - H LYS 20 far 0 75 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 8550 from nnoeabs.peaks (3.67, 7.68, 118.10 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: HA LYS 90 + H MET 21 OK 100 100 100 100 4.6-5.5 8543/6337=85...(11) HA LEU 14 - H MET 21 far 0 96 0 - 8.0-8.7 Violated in 3 structures by 0.01 A. Peak 8560 from nnoeabs.peaks (1.24, 7.68, 118.10 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.97: QB ALA 18 + H MET 21 OK 97 97 100 100 4.4-4.7 2.1/769=91, 8496=80...(22) Violated in 0 structures by 0.00 A. Peak 8561 from nnoeabs.peaks (1.31, 7.68, 118.10 ppm; 5.19 A): 3 out of 6 assignments used, quality = 0.93: QB ALA 25 + H MET 21 OK 81 84 100 96 5.9-6.5 8624/6337=62...(14) HG2 LYS 90 + H MET 21 OK 48 84 65 87 4.8-7.5 4.0/8550=56, 3955/977=25...(8) QB ALA 89 + H MET 21 OK 33 84 50 80 6.2-7.0 10321/8562=35...(8) HG LEU 14 - H MET 21 far 0 63 0 - 8.2-8.7 HB3 LEU 27 - H MET 21 far 0 75 0 - 8.9-9.8 HG2 LYS 94 - H MET 21 far 0 84 0 - 9.3-10.6 Violated in 9 structures by 0.13 A. Peak 8562 from nnoeabs.peaks (0.76, 7.68, 118.10 ppm; 4.17 A): 2 out of 9 assignments used, quality = 1.00: QD1 ILE 93 + H MET 21 OK 97 98 100 100 3.5-4.5 11004/6345=49...(27) QG2 ILE 93 + H MET 21 OK 94 100 95 99 4.3-5.7 10319/6337=59...(21) HG13 ILE 93 - H MET 21 far 0 98 0 - 6.0-7.7 QG1 VAL 5 - H MET 21 far 0 77 0 - 6.1-7.4 QD1 LEU 27 - H MET 21 far 0 98 0 - 6.2-7.7 QD2 LEU 57 - H MET 21 far 0 59 0 - 7.7-9.5 QD2 LEU 27 - H MET 21 far 0 82 0 - 8.5-9.4 QD1 ILE 15 - H MET 21 far 0 100 0 - 9.7-10.1 QD1 LEU 6 - H MET 21 far 0 97 0 - 9.7-12.6 Violated in 2 structures by 0.01 A. Peak 8567 from nnoeabs.peaks (0.77, 8.81, 122.15 ppm; 3.57 A): 3 out of 9 assignments used, quality = 1.00: QD1 ILE 93 + H ALA 22 OK 99 100 100 99 2.5-3.6 11004=44, 3.1/11002=37...(32) QD1 LEU 27 + H ALA 22 OK 90 100 95 95 4.1-5.5 8641/3.0=28, 1222/2.9=27...(30) QG2 ILE 93 + H ALA 22 OK 86 88 100 98 2.5-3.7 11002=38, 3.1/11004=36...(31) HG13 ILE 93 - H ALA 22 poor 15 77 20 - 4.1-6.6 QD2 LEU 57 - H ALA 22 far 0 90 0 - 6.5-8.4 QG2 ILE 15 - H ALA 22 far 0 65 0 - 7.4-8.4 QG2 ILE 7 - H ALA 22 far 0 85 0 - 7.8-8.6 QD1 LEU 6 - H ALA 22 far 0 100 0 - 8.1-11.1 QG1 VAL 54 - H ALA 22 far 0 98 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 8568 from nnoeabs.peaks (0.65, 8.81, 122.15 ppm; 4.12 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + H ALA 22 OK 99 99 100 99 3.4-5.2 10445/6351=41...(25) QD1 LEU 29 + H ALA 22 OK 89 100 90 99 3.3-5.6 8690=40, 8672/8569=39...(24) QD1 ILE 7 - H ALA 22 far 0 77 0 - 5.8-6.7 QD2 LEU 6 - H ALA 22 far 0 65 0 - 8.0-10.4 QD1 LEU 14 - H ALA 22 far 0 82 0 - 8.2-9.7 Violated in 9 structures by 0.12 A. Peak 8569 from nnoeabs.peaks (1.21, 8.81, 122.15 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.94: QB ALA 18 + H ALA 22 OK 94 95 100 99 4.1-5.1 10020/11004=61...(15) HB2 LEU 57 - H ALA 22 far 0 96 0 - 9.6-11.0 Violated in 2 structures by 0.02 A. Peak 8570 from nnoeabs.peaks (1.36, 8.81, 122.15 ppm; 4.53 A): 1 out of 7 assignments used, quality = 0.89: QB ALA 25 + H ALA 22 OK 89 90 100 99 4.4-5.1 2.9/8604=54...(19) HB3 LEU 27 - H ALA 22 far 0 95 0 - 6.2-7.0 QB ALA 89 - H ALA 22 far 0 90 0 - 6.4-7.2 HG3 LYS 94 - H ALA 22 far 0 92 0 - 7.1-9.7 HG2 LYS 94 - H ALA 22 far 0 90 0 - 8.8-10.2 HG LEU 14 - H ALA 22 far 0 99 0 - 8.9-9.5 HB3 ARG 30 - H ALA 22 far 0 99 0 - 9.7-11.0 Violated in 15 structures by 0.10 A. Peak 8571 from nnoeabs.peaks (1.61, 8.81, 122.15 ppm; 4.93 A): 3 out of 8 assignments used, quality = 1.00: HB3 LEU 29 + H ALA 22 OK 97 97 100 100 3.4-4.4 ~8577=61, 3.1/8690=43...(23) HG LEU 27 + H ALA 22 OK 83 98 85 100 5.3-6.6 ~8636=42, 1206/2.9=42...(22) HG2 ARG 19 + H ALA 22 OK 79 85 95 97 5.6-7.0 4.0/786=64, 4.9/6343=51...(13) HG3 LYS 90 - H ALA 22 poor 14 84 30 56 5.9-8.6 10853/11004=16...(9) HG2 LYS 24 - H ALA 22 far 4 87 5 - 6.3-8.4 HD3 LYS 94 - H ALA 22 far 0 98 0 - 6.6-9.2 HD2 LYS 94 - H ALA 22 far 0 97 0 - 6.9-8.0 HB2 ARG 30 - H ALA 22 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 8591 from nnoeabs.peaks (7.86, 7.57, 119.96 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.96: H ASN 26 + H LYS 24 OK 96 96 100 100 3.7-4.5 8606=94, 6411/6397=84...(21) Violated in 0 structures by 0.00 A. Peak 8592 from nnoeabs.peaks (1.33, 7.57, 119.96 ppm; 3.83 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 25 + H LYS 24 OK 99 100 100 99 3.9-4.3 6408/6397=72, 8607=66...(19) QB ALA 89 + H GLU 88 OK 98 100 100 99 4.3-4.5 7407/7397=74...(19) HG LEU 14 - H GLU 88 far 0 96 0 - 6.3-7.6 HB3 LEU 27 - H LYS 24 far 0 99 0 - 7.0-7.8 HG2 LYS 94 - H LYS 24 far 0 100 0 - 9.3-11.0 QB ALA 89 - H LYS 24 far 0 100 0 - 9.6-10.4 HG2 LYS 94 - H GLU 88 far 0 100 0 - 9.9-13.2 Violated in 1 structures by 0.00 A. Peak 8593 from nnoeabs.peaks (0.76, 7.57, 119.96 ppm; 5.80 A): 5 out of 14 assignments used, quality = 1.00: QG2 ILE 93 + H LYS 24 OK 99 99 100 99 4.7-5.8 10319/8538=69...(16) QD1 ILE 93 + H LYS 24 OK 97 99 100 98 5.8-6.7 11004/6374=64...(10) QD1 LEU 27 + H LYS 24 OK 95 99 100 96 5.2-6.4 1223/8607=42...(11) QD2 LEU 27 + H LYS 24 OK 65 79 100 83 6.3-7.3 1215/8607=30...(7) QD1 ILE 93 + H GLU 88 OK 38 98 60 65 7.0-7.5 10321/8592=45...(4) QG1 VAL 5 - H LYS 24 far 0 73 0 - 7.5-8.4 HG13 ILE 93 - H LYS 24 far 0 96 0 - 7.6-9.8 QD2 LEU 57 - H GLU 88 far 0 63 0 - 7.8-8.3 HG13 ILE 93 - H GLU 88 far 0 96 0 - 8.5-10.6 QG1 VAL 5 - H GLU 88 far 0 72 0 - 9.2-9.9 QG2 ILE 93 - H GLU 88 far 0 99 0 - 9.2-9.7 HG3 ARG 81 - H GLU 88 far 0 92 0 - 9.7-11.1 QD2 LEU 57 - H LYS 24 far 0 63 0 - 9.8-11.5 QD1 ILE 15 - H GLU 88 far 0 100 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 8598 from nnoeabs.peaks (3.67, 7.57, 119.96 ppm; 3.46 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 88 + H GLU 88 OK 99 99 100 100 2.8-2.8 3.0=100 HA LEU 14 - H GLU 88 far 0 94 0 - 6.8-7.8 HA LYS 90 - H GLU 88 far 0 100 0 - 7.2-7.4 HA LYS 90 - H LYS 24 far 0 100 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 8599 from nnoeabs.peaks (3.90, 7.57, 119.96 ppm; 4.16 A): 2 out of 5 assignments used, quality = 1.00: HB2 SER 85 + H GLU 88 OK 99 99 100 100 2.8-3.8 9845=66, 1.8/9847=58...(20) HA ALA 89 + H GLU 88 OK 98 100 100 99 5.3-5.4 3.0/7397=80, 3.6/7398=41...(15) HA ARG 91 - H GLU 88 far 0 99 0 - 6.8-7.1 HA LYS 94 - H LYS 24 far 0 77 0 - 7.4-8.5 HB3 SER 9 - H GLU 88 far 0 76 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8600 from nnoeabs.peaks (5.13, 7.57, 119.96 ppm; 5.40 A): 1 out of 2 assignments used, quality = 0.98: HA SER 85 + H GLU 88 OK 98 98 100 100 5.1-5.2 3.0/9845=80, 3.0/9847=78...(14) HA TYR 4 - H LYS 24 far 0 94 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 8602 from nnoeabs.peaks (0.69, 7.57, 119.96 ppm; 5.45 A): 1 out of 7 assignments used, quality = 0.98: QD1 LEU 14 + H GLU 88 OK 98 98 100 100 4.3-4.7 8402/7397=82...(21) QD1 LEU 29 - H LYS 24 far 7 70 10 - 6.8-8.5 QD2 LEU 14 - H GLU 88 far 4 90 5 - 6.9-7.2 QG1 VAL 5 - H LYS 24 far 0 59 0 - 7.5-8.4 QG1 VAL 5 - H GLU 88 far 0 58 0 - 9.2-9.9 QD1 LEU 29 - H GLU 88 far 0 69 0 - 9.4-11.4 QG2 VAL 58 - H GLU 88 far 0 97 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8603 from nnoeabs.peaks (1.83, 7.57, 119.96 ppm; 3.66 A): 1 out of 11 assignments used, quality = 0.89: HB2 GLU 88 + H GLU 88 OK 89 89 100 100 2.1-3.6 3.9=85, 1.8/3879=70...(20) HB2 LYS 90 - H GLU 88 far 0 92 0 - 6.0-7.2 HB3 LYS 90 - H GLU 88 far 0 100 0 - 7.1-7.8 HB3 LYS 90 - H LYS 24 far 0 100 0 - 7.2-8.8 HB ILE 93 - H LYS 24 far 0 81 0 - 7.3-8.0 HB2 GLU 104 - H GLU 88 far 0 89 0 - 7.8-20.6 HB VAL 5 - H LYS 24 far 0 77 0 - 7.9-8.6 HB3 LEU 57 - H GLU 88 far 0 99 0 - 8.2-9.2 HB2 LYS 90 - H LYS 24 far 0 93 0 - 8.3-10.5 HB3 GLU 104 - H GLU 88 far 0 58 0 - 8.6-20.6 HB ILE 93 - H GLU 88 far 0 80 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 8604 from nnoeabs.peaks (8.82, 7.71, 119.26 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: H ALA 22 + H ALA 25 OK 100 100 100 100 4.5-4.9 3.0/6394=87, 8570/2.9=78...(19) Violated in 0 structures by 0.00 A. Peak 8606 from nnoeabs.peaks (7.58, 7.84, 115.27 ppm; 4.24 A): 1 out of 1 assignment used, quality = 0.99: H LYS 24 + H ASN 26 OK 99 99 100 100 3.7-4.5 6397/6409=77, 8591=66...(21) Violated in 1 structures by 0.01 A. Peak 8608 from nnoeabs.peaks (3.84, 7.84, 115.27 ppm; 5.14 A): 1 out of 4 assignments used, quality = 0.97: HA ALA 22 + H ASN 26 OK 97 98 100 100 3.9-5.1 8638/6419=83...(15) HA LYS 94 - H ASN 26 far 4 84 5 - 6.1-8.7 HA SER 97 - H ASN 26 far 0 88 0 - 6.7-9.0 HA ARG 19 - H ASN 26 far 0 77 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 8609 from nnoeabs.peaks (4.13, 7.84, 115.27 ppm; 3.70 A): 2 out of 2 assignments used, quality = 0.98: HA GLU 23 + H ASN 26 OK 94 99 100 95 3.6-3.9 8637/6419=51...(9) HA LYS 24 + H ASN 26 OK 64 70 95 97 3.5-5.3 3.6/6409=57, 3.0/8606=48...(12) Violated in 1 structures by 0.00 A. Peak 8612 from nnoeabs.peaks (2.10, 7.71, 119.26 ppm; 4.34 A): 2 out of 4 assignments used, quality = 1.00: QE MET 21 + H ALA 25 OK 100 100 100 100 3.4-4.3 8624/6408=69...(21) HB2 GLU 23 + H ALA 25 OK 94 99 100 95 5.1-5.8 3.0/6396=70, 4.6/6397=55...(7) HG3 GLU 28 - H ALA 25 far 0 71 0 - 8.0-9.5 HG2 GLU 28 - H ALA 25 far 0 71 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 8613 from nnoeabs.peaks (0.76, 7.71, 119.26 ppm; 4.19 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 27 + H ALA 25 OK 98 99 100 98 3.8-4.9 4.7/10489=41...(20) QG2 ILE 93 + H ALA 25 OK 94 99 100 95 4.0-4.9 11002/8604=33...(19) QD2 LEU 27 + H ALA 25 OK 71 77 95 97 4.6-5.7 4.7/10489=41...(16) QD1 ILE 93 - H ALA 25 far 0 99 0 - 5.9-7.1 HG13 ILE 93 - H ALA 25 far 0 96 0 - 7.2-9.2 QG1 VAL 5 - H ALA 25 far 0 71 0 - 7.2-8.3 QD2 LEU 57 - H ALA 25 far 0 65 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 8616 from nnoeabs.peaks (0.76, 7.84, 115.27 ppm; 4.69 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 27 + H ASN 26 OK 98 99 100 99 3.9-5.2 4.7/6419=64, 2.1/8618=40...(15) QG2 ILE 93 + H ASN 26 OK 79 99 90 88 4.9-6.5 8621/6413=28...(12) QD2 LEU 27 + H ASN 26 OK 76 77 100 98 2.9-5.4 4.7/6419=64, 2.1/8618=40...(14) QD1 ILE 93 - H ASN 26 far 0 99 0 - 7.4-8.8 QG1 VAL 5 - H ASN 26 far 0 71 0 - 8.2-9.4 HG13 ILE 93 - H ASN 26 far 0 96 0 - 8.8-10.8 QD2 LEU 57 - H ASN 26 far 0 65 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 8617 from nnoeabs.peaks (1.46, 7.84, 115.27 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 27 + H ASN 26 OK 99 100 100 99 4.4-5.2 4.0/6419=72...(11) QB ALA 22 + H ASN 26 OK 84 87 100 96 4.5-5.4 2.1/8608=62...(12) HG LEU 29 - H ASN 26 far 0 87 0 - 9.6-11.4 HG2 LYS 20 - H ASN 26 far 0 100 0 - 9.6-10.6 Violated in 3 structures by 0.01 A. Peak 8618 from nnoeabs.peaks (1.60, 7.84, 115.27 ppm; 4.70 A): 2 out of 6 assignments used, quality = 1.00: HG LEU 27 + H ASN 26 OK 100 100 100 100 2.3-4.2 6442/6419=86...(13) HG2 LYS 24 + H ASN 26 OK 85 96 90 98 4.9-6.3 6385/8606=56, 3271=43...(14) HD2 LYS 94 - H ASN 26 far 0 88 0 - 6.8-10.7 HD3 LYS 94 - H ASN 26 far 0 100 0 - 6.9-11.7 HB3 LEU 29 - H ASN 26 far 0 100 0 - 7.9-9.0 HB3 GLU 28 - H ASN 26 far 0 61 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 8619 from nnoeabs.peaks (1.97, 7.84, 115.27 ppm; 4.78 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 24 + H ASN 26 OK 98 100 100 99 4.7-5.4 4.4/6409=71, 4.0/8606=61...(12) HB2 LYS 24 + H ASN 26 OK 93 100 95 99 5.3-6.5 4.4/6409=71, 4.0/8606=61...(10) HB3 LYS 20 - H ASN 26 far 0 68 0 - 8.6-9.2 Violated in 1 structures by 0.02 A. Peak 8620 from nnoeabs.peaks (2.09, 7.84, 115.27 ppm; 5.42 A): 2 out of 5 assignments used, quality = 1.00: QE MET 21 + H ASN 26 OK 96 98 100 98 5.3-6.4 8624/6413=79...(9) HB2 GLU 23 + H ASN 26 OK 95 100 100 95 5.2-6.0 4.6/8606=67, 3.0/8609=56...(6) HG3 GLU 28 - H ASN 26 far 4 88 5 - 6.9-7.9 HB2 MET 21 - H ASN 26 far 0 65 0 - 7.2-8.4 HG2 GLU 28 - H ASN 26 far 0 88 0 - 7.3-9.3 Violated in 1 structures by 0.00 A. Peak 8632 from nnoeabs.peaks (1.34, 7.47, 112.34 ppm; 5.92 A): 1 out of 3 assignments used, quality = 0.97: QB ALA 25 + HD22 ASN 26 OK 97 100 100 97 4.6-6.0 8628/3.5=74, 6413/5.5=72...(6) HB3 LEU 27 - HD22 ASN 26 far 0 100 0 - 7.8-8.3 HB3 LEU 2 - HD22 ASN 26 far 0 99 0 - 8.9-11.8 Violated in 16 structures by 0.03 A. Peak 8637 from nnoeabs.peaks (4.14, 8.24, 116.83 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.93: HA GLU 23 + H LEU 27 OK 93 100 100 93 2.7-3.7 6396/10489=42...(11) Violated in 0 structures by 0.00 A. Peak 8638 from nnoeabs.peaks (3.83, 8.24, 116.83 ppm; 3.94 A): 1 out of 4 assignments used, quality = 0.99: HA ALA 22 + H LEU 27 OK 99 100 100 99 3.5-4.1 6394/10489=43...(17) HA SER 97 - H LEU 27 far 0 98 0 - 6.7-8.3 HA LYS 94 - H LEU 27 far 0 65 0 - 7.3-9.1 HA ARG 19 - H LEU 27 far 0 92 0 - 7.7-8.3 Violated in 7 structures by 0.03 A. Peak 8649 from nnoeabs.peaks (6.45, 7.80, 121.34 ppm; 5.40 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + H GLU 28 OK 98 100 100 98 4.7-5.1 5.7/8655=54, ~14579=39...(13) QD TYR 4 + H GLU 28 OK 93 93 100 100 2.7-4.0 3.7/8655=78, 4.8/8163=57...(19) Violated in 0 structures by 0.00 A. Peak 8650 from nnoeabs.peaks (8.92, 7.80, 121.34 ppm; 5.17 A): 1 out of 2 assignments used, quality = 1.00: H VAL 5 + H GLU 28 OK 100 100 100 100 3.1-4.0 8163=98, 3.6/8655=76...(14) H ARG 19 - H GLU 28 far 0 91 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8655 from nnoeabs.peaks (5.16, 7.80, 121.34 ppm; 4.25 A): 1 out of 3 assignments used, quality = 0.92: HA TYR 4 + H GLU 28 OK 92 94 100 98 2.0-2.8 8123=51, 8656/1235=50...(14) HA LEU 3 - H GLU 28 far 11 71 15 - 5.5-6.7 HA VAL 54 - H GLU 28 far 0 100 0 - 5.9-6.9 Violated in 0 structures by 0.00 A. Peak 8663 from nnoeabs.peaks (0.77, 8.45, 126.55 ppm; 5.39 A): 5 out of 11 assignments used, quality = 1.00: QD1 LEU 27 + H LEU 29 OK 93 100 100 93 5.0-6.4 1227/4.5=65...(10) QD1 ILE 93 + H LEU 29 OK 84 100 100 84 5.3-6.6 10327/8586=43...(11) QG2 ILE 93 + H LEU 29 OK 70 96 100 73 5.4-6.5 10326/8586=30...(10) QG1 VAL 5 + H LEU 29 OK 59 59 100 100 4.9-5.6 ~8173=65, ~8668=64...(16) QD2 LEU 27 + H LEU 29 OK 45 65 95 72 6.1-7.0 1219/4.5=39, 3.1/6470=23...(8) HG13 ILE 93 - H LEU 29 far 13 90 15 - 6.2-9.1 QD1 LEU 6 - H LEU 29 far 5 100 5 - 5.1-8.3 QG1 VAL 54 - H LEU 29 far 5 100 5 - 6.6-7.9 QD2 LEU 57 - H LEU 29 far 0 77 0 - 7.1-9.3 QG2 ILE 7 - H LEU 29 far 0 71 0 - 7.5-8.3 QD2 LEU 42 - H LEU 29 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8664 from nnoeabs.peaks (1.87, 8.45, 126.55 ppm; 5.66 A): 2 out of 4 assignments used, quality = 1.00: HB VAL 5 + H LEU 29 OK 99 99 100 100 3.6-4.5 8173/2.9=94...(20) HB2 ARG 19 + H LEU 29 OK 79 92 90 95 5.2-7.3 8669/6468=36...(11) HB2 LYS 20 - H LEU 29 far 0 95 0 - 8.4-9.3 HB3 LYS 90 - H LEU 29 far 0 61 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 8665 from nnoeabs.peaks (1.29, 8.45, 126.55 ppm; 5.96 A): 1 out of 3 assignments used, quality = 0.97: HG2 ARG 30 + H LEU 29 OK 97 100 100 97 5.3-6.1 6485/4.6=77...(11) HG2 LYS 90 - H LEU 29 far 0 99 0 - 9.7-13.2 HB3 LEU 2 - H LEU 29 far 0 63 0 - 9.9-12.1 Violated in 7 structures by 0.03 A. Peak 8695 from nnoeabs.peaks (8.91, 8.45, 126.55 ppm; 5.69 A): 2 out of 3 assignments used, quality = 1.00: H VAL 5 + H LEU 29 OK 100 100 100 100 4.2-4.8 8172/2.9=97, 8160=96...(20) H ARG 19 + H LEU 29 OK 81 97 90 93 6.5-7.4 8693/4.8=42, 6287/4.0=32...(9) H LEU 57 - H LEU 29 far 0 96 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 8698 from nnoeabs.peaks (5.47, 9.09, 125.04 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 6 + H ARG 30 OK 100 100 100 100 1.9-2.5 8200=72, 6072/8238=48...(21) Violated in 0 structures by 0.00 A. Peak 8713 from nnoeabs.peaks (0.76, 9.09, 125.04 ppm; 4.14 A): 3 out of 15 assignments used, quality = 0.99: QD1 LEU 6 + H ARG 30 OK 96 99 100 97 2.0-5.0 2.1/10232=70...(13) QG1 VAL 5 + H ARG 30 OK 66 68 100 98 3.8-4.2 2.1/8715=67, 2.1/8714=52...(15) QG2 ILE 7 + H ARG 30 OK 59 63 100 92 4.6-5.3 4.0/8238=45, 2.1/6486=24...(16) QD2 LEU 57 - H ARG 30 poor 14 70 20 - 5.3-7.0 QG1 VAL 54 - H ARG 30 poor 13 100 25 53 5.1-6.4 191/8698=14...(8) QD1 ILE 93 - H ARG 30 far 5 99 5 - 5.6-6.3 HG13 ILE 93 - H ARG 30 far 0 94 0 - 6.6-8.8 QD1 LEU 27 - H ARG 30 far 0 100 0 - 7.0-7.7 QG2 ILE 93 - H ARG 30 far 0 99 0 - 7.0-7.6 QD2 LEU 42 - H ARG 30 far 0 100 0 - 7.1-7.9 HG13 ILE 15 - H ARG 30 far 0 100 0 - 7.4-8.5 QD2 LEU 27 - H ARG 30 far 0 73 0 - 8.1-9.1 QD1 ILE 15 - H ARG 30 far 0 100 0 - 8.2-9.1 QG2 ILE 8 - H ARG 30 far 0 85 0 - 8.4-9.3 QG1 VAL 78 - H ARG 30 far 0 96 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 8714 from nnoeabs.peaks (0.94, 9.09, 125.04 ppm; 5.02 A): 1 out of 5 assignments used, quality = 1.00: QG2 VAL 5 + H ARG 30 OK 100 100 100 100 5.1-5.7 2.1/8715=89...(7) QG1 VAL 32 - H ARG 30 far 0 61 0 - 7.2-7.8 HG LEU 55 - H ARG 30 far 0 92 0 - 7.4-8.8 QG2 VAL 83 - H ARG 30 far 0 93 0 - 8.8-9.8 QG2 THR 80 - H ARG 30 far 0 65 0 - 9.1-10.0 Violated in 20 structures by 0.44 A. Peak 8715 from nnoeabs.peaks (1.87, 9.09, 125.04 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.99: HB VAL 5 + H ARG 30 OK 99 99 100 100 3.7-4.4 8173/6476=70, 8165=66...(15) HB2 ARG 19 - H ARG 30 far 0 88 0 - 6.3-8.1 HB VAL 54 - H ARG 30 far 0 96 0 - 8.1-10.0 HG LEU 42 - H ARG 30 far 0 82 0 - 8.7-10.8 HB ILE 8 - H ARG 30 far 0 84 0 - 9.2-10.2 Violated in 6 structures by 0.02 A. Peak 8736 from nnoeabs.peaks (0.81, 8.50, 114.75 ppm; 4.37 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 7 + H THR 31 OK 98 99 100 99 4.2-4.9 8282/6501=76...(13) QG2 ILE 15 + H THR 31 OK 89 100 100 89 4.8-5.4 10123/6501=81...(6) QG2 VAL 32 + H THR 31 OK 79 87 100 91 3.7-4.5 8910/8740=29...(14) QD1 LEU 6 + H THR 31 OK 42 63 90 74 3.6-6.1 2.1/8737=35...(15) QD2 LEU 38 - H THR 31 far 0 96 0 - 6.6-9.0 QG2 ILE 8 - H THR 31 far 0 91 0 - 7.2-8.1 QD2 LEU 57 - H THR 31 far 0 98 0 - 8.1-9.7 QD1 ILE 93 - H THR 31 far 0 61 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 8737 from nnoeabs.peaks (0.68, 8.50, 114.75 ppm; 4.07 A): 3 out of 9 assignments used, quality = 0.98: QD2 LEU 6 + H THR 31 OK 88 99 95 94 4.2-5.6 10232/6491=39...(17) QD1 LEU 29 + H THR 31 OK 78 90 90 97 4.0-6.3 2.1/12050=75...(17) QD2 LEU 29 + H THR 31 OK 37 71 55 94 4.0-6.1 12050=58, 4.6/6491=36...(15) QD1 ILE 56 - H THR 31 far 0 73 0 - 6.7-10.2 QD1 ILE 8 - H THR 31 far 0 70 0 - 7.0-8.1 QD2 LEU 14 - H THR 31 far 0 71 0 - 8.1-8.9 HG13 ILE 56 - H THR 31 far 0 59 0 - 8.2-11.3 QD1 LEU 42 - H THR 31 far 0 98 0 - 9.3-10.4 QG2 VAL 54 - H THR 31 far 0 91 0 - 9.7-11.2 Violated in 6 structures by 0.02 A. Peak 8740 from nnoeabs.peaks (6.87, 8.50, 114.75 ppm; 5.86 A): 1 out of 1 assignment used, quality = 0.96: QE TYR 41 + H THR 31 OK 96 97 100 99 2.1-4.6 8906/6493=66...(13) Violated in 0 structures by 0.00 A. Peak 8743 from nnoeabs.peaks (6.86, 9.30, 123.65 ppm; 5.79 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + H LYS 33 OK 100 100 100 100 3.6-6.0 8896/6515=86...(17) QD TYR 41 + H LYS 33 OK 74 75 100 98 5.7-6.7 ~14608=45, 10150/6515=43...(17) Violated in 0 structures by 0.00 A. Peak 8744 from nnoeabs.peaks (7.76, 9.30, 123.65 ppm; 5.98 A): 1 out of 2 assignments used, quality = 0.96: H GLU 37 + H LYS 33 OK 96 96 100 100 4.4-5.1 8804=92, 8770/6530=90...(16) HE ARG 30 - H LYS 33 far 0 73 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 8745 from nnoeabs.peaks (1.16, 9.30, 123.65 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 34 + H LYS 33 OK 99 99 100 100 3.4-3.8 8768=97, 6542/6530=82...(17) QG2 THR 31 - H LYS 33 far 0 87 0 - 6.4-7.0 HB2 LEU 6 - H LYS 33 far 0 96 0 - 7.3-8.3 HG2 LYS 40 - H LYS 33 far 0 100 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 8747 from nnoeabs.peaks (2.11, 9.30, 123.65 ppm; 4.01 A): 3 out of 4 assignments used, quality = 1.00: HG3 GLU 37 + H LYS 33 OK 100 100 100 100 2.7-4.0 8816=54, 8814/6530=52...(16) HB3 GLU 37 + H LYS 33 OK 95 95 100 100 2.2-4.4 1.8/8819=56...(16) HB3 LEU 38 + H LYS 33 OK 23 65 45 77 4.7-7.6 3.8/10555=30...(10) HB3 GLU 35 - H LYS 33 far 0 81 0 - 7.9-8.5 Violated in 0 structures by 0.00 A. Peak 8748 from nnoeabs.peaks (2.27, 9.30, 123.65 ppm; 5.08 A): 1 out of 4 assignments used, quality = 0.99: HG2 GLU 37 + H LYS 33 OK 99 99 100 100 1.8-4.4 8817=97, 8754/6530=83...(16) HG2 GLU 63 - H LYS 33 far 0 81 0 - 8.6-10.7 HG2 GLU 62 - H LYS 33 far 0 100 0 - 9.1-12.3 HG3 GLU 62 - H LYS 33 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 8749 from nnoeabs.peaks (0.91, 7.25, 106.30 ppm; 3.24 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 32 + H THR 34 OK 100 100 100 100 2.0-2.8 8938=72, 1406/6530=44...(21) HG13 ILE 8 - H THR 34 far 0 90 0 - 4.9-8.0 Violated in 0 structures by 0.00 A. Peak 8750 from nnoeabs.peaks (0.82, 7.25, 106.30 ppm; 4.27 A): 3 out of 7 assignments used, quality = 1.00: QG2 VAL 32 + H THR 34 OK 97 97 100 100 4.8-5.3 2.1/8749=93, 3.2/8764=69...(12) QD2 LEU 38 + H THR 34 OK 90 100 95 95 3.3-6.3 4.5/8858=40...(15) QG2 ILE 8 + H THR 34 OK 50 75 100 66 4.5-5.5 3.0/8751=48...(8) QD1 LEU 70 - H THR 34 far 0 100 0 - 5.9-8.5 QD2 LEU 70 - H THR 34 far 0 99 0 - 6.7-9.1 QG2 ILE 7 - H THR 34 far 0 93 0 - 7.8-8.8 QG2 ILE 15 - H THR 34 far 0 99 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 8751 from nnoeabs.peaks (0.73, 7.25, 106.30 ppm; 5.12 A): 1 out of 7 assignments used, quality = 0.69: QD1 ILE 8 + H THR 34 OK 69 95 95 77 5.0-6.9 326/8749=30...(8) QD2 LEU 6 - H THR 34 far 0 57 0 - 7.2-9.6 QD1 ILE 56 - H THR 34 far 0 93 0 - 7.3-11.0 QG1 VAL 58 - H THR 34 far 0 100 0 - 7.5-8.4 QD1 LEU 42 - H THR 34 far 0 61 0 - 7.9-9.0 QD1 ILE 15 - H THR 34 far 0 71 0 - 9.1-9.9 HG13 ILE 56 - H THR 34 far 0 98 0 - 9.5-12.1 Violated in 17 structures by 0.53 A. Peak 8752 from nnoeabs.peaks (1.99, 7.25, 106.30 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.99: HB2 GLU 37 + H THR 34 OK 99 99 100 99 2.9-4.6 8808=60, 1.8/8810=56...(13) HB2 GLU 35 - H THR 34 far 0 91 0 - 6.3-6.6 QE MET 74 - H THR 34 far 0 96 0 - 9.3-10.9 Violated in 18 structures by 0.38 A. Peak 8753 from nnoeabs.peaks (2.13, 7.25, 106.30 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 37 + H THR 34 OK 99 99 100 100 2.2-4.5 1.8/8752=73, 8810=64...(14) HG3 GLU 37 + H THR 34 OK 85 85 100 99 1.9-3.5 3.0/8752=54, 1.8/8754=52...(14) Violated in 0 structures by 0.00 A. Peak 8754 from nnoeabs.peaks (2.27, 7.25, 106.30 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.99: HG2 GLU 37 + H THR 34 OK 99 99 100 100 1.7-4.1 3.0/8752=74, 1.8/8814=69...(14) HG2 GLU 62 - H THR 34 far 0 100 0 - 8.2-11.9 HG2 GLU 63 - H THR 34 far 0 81 0 - 8.3-10.4 HG3 GLU 62 - H THR 34 far 0 100 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 8762 from nnoeabs.peaks (3.72, 7.25, 106.30 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.99: HA GLU 37 + H THR 34 OK 99 99 100 100 4.8-5.7 8806=97, 3.0/8752=96...(11) Violated in 9 structures by 0.07 A. Peak 8763 from nnoeabs.peaks (3.91, 7.25, 106.30 ppm; 5.40 A): 2 out of 4 assignments used, quality = 0.97: HA GLU 35 + H THR 34 OK 90 91 100 99 4.9-5.2 12057/8858=64, ~6546=61...(9) HA LEU 38 + H THR 34 OK 67 70 100 97 5.2-6.3 2.9/8858=81, 3.8/8750=29...(8) HA GLU 63 - H THR 34 far 0 100 0 - 7.1-8.7 HA TYR 41 - H THR 34 far 0 93 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 8764 from nnoeabs.peaks (4.43, 7.25, 106.30 ppm; 3.72 A): 1 out of 2 assignments used, quality = 0.94: HA VAL 32 + H THR 34 OK 94 95 100 100 3.7-4.2 1394/6530=67...(16) HA SER 9 - H THR 34 far 0 100 0 - 9.1-10.4 Violated in 20 structures by 0.25 A. Peak 8769 from nnoeabs.peaks (7.54, 7.25, 106.30 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.99: H LEU 38 + H THR 34 OK 99 99 100 100 3.8-4.4 8858=96, 8932/8749=85...(16) Violated in 0 structures by 0.00 A. Peak 8770 from nnoeabs.peaks (7.74, 7.25, 106.30 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: H GLU 37 + H THR 34 OK 100 100 100 100 3.3-4.0 8805=99, 6572/8752=68...(19) Violated in 0 structures by 0.00 A. Peak 8771 from nnoeabs.peaks (7.76, 9.17, 121.92 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.96: H GLU 37 + H GLU 35 OK 96 96 100 100 3.8-4.6 8803=94, 6567/6556=89...(16) Violated in 0 structures by 0.00 A. Peak 8772 from nnoeabs.peaks (7.55, 8.19, 118.33 ppm; 4.38 A): 1 out of 1 assignment used, quality = 0.89: H LEU 38 + H ASP 36 OK 89 90 100 100 3.9-4.5 8941=69, 6579/6565=68...(20) Violated in 1 structures by 0.00 A. Peak 8773 from nnoeabs.peaks (7.27, 8.19, 118.33 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.89: H THR 34 + H ASP 36 OK 89 90 100 100 4.7-5.4 4.0/8794=80...(9) Violated in 4 structures by 0.03 A. Peak 8775 from nnoeabs.peaks (0.83, 9.17, 121.92 ppm; 5.48 A): 4 out of 5 assignments used, quality = 1.00: QD2 LEU 38 + H GLU 35 OK 97 98 100 99 3.2-6.6 4.5/10554=52, ~10168=35...(30) QD1 LEU 70 + H GLU 35 OK 88 92 100 95 4.1-5.8 ~9541=27, 9549/6550=26...(20) QD1 LEU 38 + H GLU 35 OK 84 85 100 99 4.6-6.7 4.5/10554=52...(24) QD2 LEU 70 + H GLU 35 OK 74 81 100 91 4.9-6.7 9541/3.0=28, ~10609=17...(17) QG2 VAL 32 - H GLU 35 far 0 100 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 8776 from nnoeabs.peaks (1.49, 9.17, 121.92 ppm; 5.93 A): 4 out of 6 assignments used, quality = 0.99: HG3 LYS 66 + H GLU 35 OK 85 100 100 85 4.3-6.5 ~2884=23, 9508/3.0=23...(11) HG LEU 38 + H GLU 35 OK 78 79 100 99 4.8-7.4 5.3/10554=53, ~10168=39...(27) HG2 LYS 66 + H GLU 35 OK 65 100 80 82 3.6-7.8 ~2884=23, ~9509=23...(13) HB2 LEU 38 + H GLU 35 OK 46 71 65 100 4.3-7.7 3.8/10554=66, ~10168=32...(30) HG3 LYS 33 - H GLU 35 far 10 96 10 - 7.0-8.1 HD3 LYS 40 - H GLU 35 far 0 88 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 8777 from nnoeabs.peaks (2.52, 9.17, 121.92 ppm; 5.89 A): 2 out of 3 assignments used, quality = 1.00: HB3 ASP 36 + H GLU 35 OK 94 94 100 100 4.3-6.4 3.6/6556=95, 4.0/8803=71...(12) HB2 ASP 36 + H GLU 35 OK 93 93 100 100 4.4-5.9 3.6/6556=95, 4.0/8803=71...(12) HG3 GLU 63 - H GLU 35 far 0 99 0 - 8.1-10.8 Violated in 0 structures by 0.00 A. Peak 8778 from nnoeabs.peaks (1.87, 8.19, 118.33 ppm; 4.92 A): 0 out of 3 assignments used, quality = 0.00: HB3 LYS 39 - H ASP 36 far 5 98 5 - 6.4-8.1 HB3 LYS 66 - H ASP 36 far 0 98 0 - 7.3-9.1 HG LEU 42 - H ASP 36 far 0 90 0 - 8.9-10.0 Violated in 20 structures by 1.68 A. Peak 8779 from nnoeabs.peaks (1.80, 8.19, 118.33 ppm; 5.52 A): 1 out of 4 assignments used, quality = 1.00: HB2 LYS 39 + H ASP 36 OK 100 100 100 100 4.8-6.9 10560/3.0=92...(26) HB2 LYS 66 - H ASP 36 poor 16 61 75 34 6.1-8.9 2884/3.6=16, 4.7/3076=4...(8) HB3 GLU 63 - H ASP 36 far 0 84 0 - 9.6-12.3 HB2 LEU 42 - H ASP 36 far 0 100 0 - 9.8-11.2 Violated in 12 structures by 0.42 A. Peak 8780 from nnoeabs.peaks (1.67, 8.19, 118.33 ppm; 5.21 A): 3 out of 8 assignments used, quality = 1.00: HD2 LYS 39 + H ASP 36 OK 98 98 100 100 4.5-6.0 3.6/8779=50, ~10565=37...(27) HD3 LYS 39 + H ASP 36 OK 68 85 80 99 4.5-7.5 3.6/8779=50, ~10565=37...(26) HB2 LYS 40 + H ASP 36 OK 41 92 55 81 6.2-7.4 1782/8795=48...(12) HG LEU 70 - H ASP 36 far 7 73 10 - 6.7-7.8 HD3 LYS 66 - H ASP 36 far 7 68 10 - 6.2-9.0 HB3 LYS 40 - H ASP 36 far 0 95 0 - 7.0-7.9 HD2 LYS 73 - H ASP 36 far 0 100 0 - 8.8-11.5 HD3 LYS 73 - H ASP 36 far 0 100 0 - 9.9-11.9 Violated in 2 structures by 0.02 A. Peak 8781 from nnoeabs.peaks (1.47, 8.19, 118.33 ppm; 5.07 A): 3 out of 8 assignments used, quality = 0.84: HB2 LEU 38 + H ASP 36 OK 62 98 65 98 4.6-7.3 3.8/8772=68...(17) HG LEU 38 + H ASP 36 OK 36 99 40 90 4.3-7.7 5.3/8772=51...(17) HG3 LYS 39 + H ASP 36 OK 33 84 40 100 4.6-7.9 3.0/8779=52, ~10560=47...(24) HG3 LYS 66 - H ASP 36 far 13 84 15 - 5.7-9.2 HG2 LYS 66 - H ASP 36 far 9 87 10 - 5.8-10.3 HD3 LYS 40 - H ASP 36 far 0 100 0 - 6.9-10.3 HG3 LYS 33 - H ASP 36 far 0 63 0 - 7.0-8.5 HD2 LYS 40 - H ASP 36 far 0 100 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 8782 from nnoeabs.peaks (1.18, 8.19, 118.33 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.99: QG2 THR 34 + H ASP 36 OK 99 99 100 100 4.1-4.4 2.1/8794=87, 8767=76...(10) HG2 LYS 40 - H ASP 36 far 0 85 0 - 8.8-9.9 Violated in 20 structures by 0.21 A. Peak 8794 from nnoeabs.peaks (4.61, 8.19, 118.33 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.95: HB THR 34 + H ASP 36 OK 95 98 100 97 3.3-4.1 10524=71, 2.1/8782=47...(8) Violated in 20 structures by 0.22 A. Peak 8795 from nnoeabs.peaks (3.73, 8.19, 118.33 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.95: HA GLU 37 + H ASP 36 OK 95 95 100 100 5.1-5.5 3.0/6565=99, 3.6/8772=80...(12) Violated in 5 structures by 0.01 A. Peak 8803 from nnoeabs.peaks (9.17, 7.74, 120.70 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: H GLU 35 + H GLU 37 OK 100 100 100 100 3.8-4.6 6556/6565=91, 8771=76...(15) H ILE 56 - H LEU 64 far 0 38 0 - 9.4-10.2 H GLU 35 - H LEU 64 far 0 43 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 8804 from nnoeabs.peaks (9.31, 7.74, 120.70 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.99: H LYS 33 + H GLU 37 OK 99 99 100 100 4.4-5.1 6530/8805=82...(16) Violated in 0 structures by 0.00 A. Peak 8805 from nnoeabs.peaks (7.25, 7.74, 120.70 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.99: H THR 34 + H GLU 37 OK 99 99 100 100 3.3-4.0 8770=94, 8752/6572=65...(19) HH2 TRP 92 - H LEU 64 far 0 38 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 8820 from nnoeabs.peaks (6.85, 7.74, 120.70 ppm; 6.11 A): 3 out of 3 assignments used, quality = 1.00: QE TYR 41 + H GLU 37 OK 100 100 100 100 5.2-6.3 8896/8825=65...(17) QD TYR 41 + H GLU 37 OK 88 88 100 99 5.4-6.5 14619/8831=50...(19) HD21 ASN 60 + H LEU 64 OK 34 34 100 99 5.2-6.8 9464/4.6=55, 3.5/2695=41...(11) Violated in 0 structures by 0.00 A. Peak 8821 from nnoeabs.peaks (3.89, 7.74, 120.70 ppm; 4.37 A): 3 out of 11 assignments used, quality = 1.00: HA GLU 35 + H GLU 37 OK 99 100 100 99 4.1-4.9 3.6/6565=74...(15) HA LEU 38 + H GLU 37 OK 94 95 100 99 4.9-5.4 2.9/6576=83, 3.6/6577=52...(13) HA GLU 63 + H LEU 64 OK 33 33 100 100 3.5-3.6 3.6=100 HA LYS 40 - H GLU 37 far 0 84 0 - 7.0-7.5 HA ALA 67 - H LEU 64 far 0 21 0 - 7.5-8.2 HA ALA 67 - H GLU 37 far 0 63 0 - 7.7-8.8 HB3 SER 9 - H LEU 64 far 0 23 0 - 7.9-10.8 HA TYR 41 - H GLU 37 far 0 65 0 - 7.9-8.9 HA GLU 35 - H LEU 64 far 0 42 0 - 8.8-10.3 HA GLU 63 - H GLU 37 far 0 88 0 - 9.0-10.8 HA LEU 38 - H LEU 64 far 0 37 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 8822 from nnoeabs.peaks (4.62, 7.74, 120.70 ppm; 4.30 A): 1 out of 4 assignments used, quality = 0.91: HB THR 34 + H GLU 37 OK 91 92 100 100 4.2-4.8 8794/6565=76...(9) HA ILE 8 - H LEU 64 far 0 42 0 - 8.1-8.6 HA ILE 8 - H GLU 37 far 0 100 0 - 9.3-10.6 HA THR 84 - H LEU 64 far 0 22 0 - 9.4-10.7 Violated in 17 structures by 0.24 A. Peak 8825 from nnoeabs.peaks (4.41, 7.74, 120.70 ppm; 5.31 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 32 + H GLU 37 OK 100 100 100 100 5.5-6.5 3.2/8831=83...(14) HA SER 9 - H LEU 64 far 0 36 0 - 7.9-9.0 Violated in 20 structures by 0.51 A. Peak 8828 from nnoeabs.peaks (1.68, 7.74, 120.70 ppm; 5.31 A): 4 out of 13 assignments used, quality = 1.00: HB3 LYS 40 + H GLU 37 OK 100 100 100 100 5.0-5.7 1794/3.0=94, ~1782=70...(22) HB2 LYS 40 + H GLU 37 OK 73 73 100 100 4.9-5.6 ~1794=71, 1782/3.0=60...(21) HD2 LYS 39 + H GLU 37 OK 64 87 90 82 5.4-7.0 6.0/6577=46...(9) HD3 LYS 39 + H GLU 37 OK 28 63 60 72 5.2-7.7 6.0/6577=46...(8) HG2 LYS 68 - H LEU 64 far 3 22 15 - 6.4-8.9 HD3 LYS 66 - H LEU 64 far 2 33 5 - 6.4-8.1 HD3 LYS 68 - H LEU 64 far 0 30 0 - 6.9-9.2 HG LEU 70 - H GLU 37 far 0 92 0 - 7.6-8.6 HB3 LEU 70 - H GLU 37 far 0 63 0 - 7.9-8.5 HD2 LYS 68 - H LEU 64 far 0 30 0 - 8.1-9.9 HD3 LYS 66 - H GLU 37 far 0 88 0 - 8.2-10.6 HG LEU 70 - H LEU 64 far 0 35 0 - 9.0-9.9 HB3 LEU 6 - H LEU 64 far 0 27 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8829 from nnoeabs.peaks (1.47, 7.74, 120.70 ppm; 4.33 A): 6 out of 15 assignments used, quality = 0.96: HB2 LEU 38 + H GLU 37 OK 62 97 65 98 4.2-6.3 3.8/6576=68...(21) HD3 LYS 40 + H GLU 37 OK 49 100 50 97 5.7-8.4 12310/3.0=37, ~1794=29...(22) HG LEU 64 + H LEU 64 OK 40 40 100 100 3.8-4.3 4.8=72, 2827/3.0=71...(20) HB3 LEU 64 + H LEU 64 OK 34 34 100 100 2.7-3.3 3.9=100 HG LEU 38 + H GLU 37 OK 33 99 35 94 3.8-7.2 5.3/6576=45...(20) HD2 LYS 82 + H LEU 64 OK 26 41 70 90 3.8-6.9 10940/4.5=39...(16) HG3 LYS 33 - H GLU 37 poor 20 68 35 83 5.1-6.3 4.9/8805=42, 4.9/8804=34...(11) HG2 LYS 66 - H LEU 64 poor 18 34 55 - 4.4-7.3 HG3 LYS 39 - H GLU 37 far 8 81 10 - 4.8-7.1 HG3 LYS 66 - H LEU 64 far 3 32 10 - 5.8-7.8 HD2 LYS 40 - H GLU 37 far 0 100 0 - 6.4-8.1 HG LEU 38 - H LEU 64 far 0 41 0 - 6.8-10.2 HG3 LYS 66 - H GLU 37 far 0 87 0 - 6.8-10.2 HG2 LYS 66 - H GLU 37 far 0 90 0 - 6.9-11.4 HB2 LEU 38 - H LEU 64 far 0 39 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 8830 from nnoeabs.peaks (1.18, 7.74, 120.70 ppm; 4.52 A): 1 out of 5 assignments used, quality = 1.00: QG2 THR 34 + H GLU 37 OK 100 100 100 100 3.2-4.3 2.1/8822=79, 8766=78...(17) HG2 LYS 40 - H GLU 37 far 0 91 0 - 7.1-7.8 HB2 LEU 57 - H LEU 64 far 0 37 0 - 9.1-9.6 HB2 LEU 6 - H GLU 37 far 0 100 0 - 9.5-11.0 HB2 LEU 6 - H LEU 64 far 0 43 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 8831 from nnoeabs.peaks (0.91, 7.74, 120.70 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: QG1 VAL 32 + H GLU 37 OK 100 100 100 100 3.4-4.2 8932/6576=76, 8936=67...(18) HG13 ILE 8 - H LEU 64 far 0 34 0 - 6.6-7.8 QG1 VAL 32 - H LEU 64 far 0 43 0 - 7.5-9.4 HG13 ILE 8 - H GLU 37 far 0 91 0 - 7.5-10.6 HB2 ARG 81 - H LEU 64 far 0 31 0 - 9.0-9.5 HG13 ILE 7 - H LEU 64 far 0 38 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 8832 from nnoeabs.peaks (0.85, 7.74, 120.70 ppm; 4.72 A): 5 out of 13 assignments used, quality = 1.00: QD1 LEU 38 + H GLU 37 OK 94 98 100 96 4.9-6.1 4.5/6576=66...(16) QG2 VAL 32 + H GLU 37 OK 86 96 90 99 5.5-6.5 2.1/8936=68, 3.2/8825=54...(17) QD2 LEU 38 + H GLU 37 OK 79 85 95 97 3.5-6.7 4.5/6576=66, 3.8/8821=25...(18) QD2 LEU 64 + H LEU 64 OK 38 38 100 100 3.0-4.1 4.5=100 QD1 LEU 70 + H GLU 37 OK 37 73 95 54 4.7-6.8 1650/6576=16...(11) QD2 LEU 38 - H LEU 64 poor 6 31 20 - 6.0-8.1 QD2 LEU 70 - H GLU 37 far 3 57 5 - 5.0-7.7 QD1 LEU 38 - H LEU 64 far 2 39 5 - 6.2-9.0 QG2 VAL 32 - H LEU 64 far 0 38 0 - 7.6-8.9 QD1 LEU 70 - H LEU 64 far 0 25 0 - 8.0-9.9 QD1 LEU 57 - H LEU 64 far 0 35 0 - 8.1-8.7 QD1 LEU 103 - H LEU 64 far 0 37 0 - 9.8-21.4 QD2 LEU 103 - H LEU 64 far 0 34 0 - 9.9-22.1 Violated in 0 structures by 0.00 A. Peak 8851 from nnoeabs.peaks (0.71, 7.53, 119.20 ppm; 4.61 A): 2 out of 9 assignments used, quality = 0.98: QD1 ILE 8 + H LEU 38 OK 90 100 95 95 4.8-6.4 8751/8858=39...(14) QD1 LEU 42 + H LEU 38 OK 81 84 100 97 4.6-5.9 8947/6591=51...(18) QD1 ILE 56 - H LEU 38 far 5 100 5 - 5.6-9.5 QD2 LEU 6 - H LEU 38 far 4 81 5 - 5.4-8.3 HG13 ILE 56 - H LEU 38 far 0 100 0 - 7.4-9.8 QG1 VAL 58 - H LEU 38 far 0 100 0 - 7.5-8.5 QG2 VAL 78 - H LEU 38 far 0 100 0 - 8.6-9.9 QG1 VAL 78 - H LEU 38 far 0 75 0 - 8.7-10.0 QG2 VAL 58 - H LEU 38 far 0 59 0 - 9.8-11.0 Violated in 10 structures by 0.16 A. Peak 8852 from nnoeabs.peaks (1.67, 7.53, 119.20 ppm; 4.75 A): 4 out of 8 assignments used, quality = 1.00: HB3 LYS 40 + H LEU 38 OK 98 99 100 99 4.9-5.4 1794/3.6=74...(11) HB2 LYS 40 + H LEU 38 OK 79 82 100 97 5.2-5.9 4.1/6616=63, 1782/3.6=56...(12) HD2 LYS 39 + H LEU 38 OK 78 93 90 94 5.2-6.6 3.6/8853=58, 6.0/6591=43...(11) HG LEU 70 + H LEU 38 OK 22 85 35 75 6.0-6.9 2.1/1650=24...(14) HD3 LYS 39 - H LEU 38 poor 18 73 25 - 4.7-7.2 HD3 LYS 66 - H LEU 38 far 0 81 0 - 7.2-9.8 HB3 LEU 6 - H LEU 38 far 0 85 0 - 7.9-9.7 HD2 LYS 73 - H LEU 38 far 0 100 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 8853 from nnoeabs.peaks (1.82, 7.53, 119.20 ppm; 4.83 A): 1 out of 2 assignments used, quality = 0.88: HB2 LYS 39 + H LEU 38 OK 88 88 100 100 4.4-5.7 4.0/6591=74...(19) HB2 LEU 42 - H LEU 38 far 0 97 0 - 6.8-8.3 Violated in 10 structures by 0.21 A. Peak 8854 from nnoeabs.peaks (2.52, 7.53, 119.20 ppm; 5.24 A): 2 out of 4 assignments used, quality = 1.00: HB3 ASP 36 + H LEU 38 OK 97 97 100 100 4.7-6.2 4.0/6576=85...(14) HB2 ASP 36 + H LEU 38 OK 96 96 100 100 4.6-6.1 4.0/6576=85...(16) HG2 MET 74 - H LEU 38 far 0 100 0 - 9.3-10.8 HG3 GLU 63 - H LEU 38 far 0 100 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 8858 from nnoeabs.peaks (7.26, 7.53, 119.20 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.99: H THR 34 + H LEU 38 OK 99 99 100 100 3.8-4.4 8769=83, 8749/8932=80...(16) Violated in 0 structures by 0.00 A. Peak 8859 from nnoeabs.peaks (6.84, 7.53, 119.20 ppm; 5.56 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + H LEU 38 OK 98 98 100 100 3.8-6.1 8909/8932=62...(21) QD TYR 41 + H LEU 38 OK 97 97 100 100 4.3-5.5 4.6/8884=61...(30) Violated in 0 structures by 0.00 A. Peak 8862 from nnoeabs.peaks (0.83, 7.63, 118.27 ppm; 4.64 A): 3 out of 7 assignments used, quality = 0.99: QD1 LEU 70 + H LYS 40 OK 83 99 100 84 4.0-6.1 8952/3.6=33...(13) QD2 LEU 38 + H LYS 40 OK 80 100 90 89 5.4-6.3 4.5/6616=55, 3.8/6617=32...(11) QD1 LEU 38 + H LYS 40 OK 63 70 100 91 4.1-6.1 4.5/6616=55, 3.8/6617=32...(12) QD2 LEU 70 - H LYS 40 poor 19 93 20 - 4.1-7.5 QG2 VAL 32 - H LYS 40 far 10 100 10 - 6.0-7.0 QD1 ILE 76 - H LYS 40 far 4 84 5 - 6.1-7.1 QG2 ILE 8 - H LYS 40 far 0 57 0 - 9.1-10.1 Violated in 1 structures by 0.01 A. Peak 8863 from nnoeabs.peaks (4.28, 7.63, 118.27 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 36 + H LYS 40 OK 100 100 100 100 3.5-4.7 10540=98, 10560/6620=65...(12) Violated in 4 structures by 0.04 A. Peak 8868 from nnoeabs.peaks (0.87, 7.82, 117.81 ppm; 4.90 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 38 + H TYR 41 OK 97 97 100 100 4.4-5.9 3.8/1623=60, 4.5/8884=49...(19) QG1 VAL 32 + H TYR 41 OK 67 71 100 94 4.2-5.2 8932/8884=36...(16) QG2 ILE 76 - H TYR 41 far 0 99 0 - 7.7-8.7 HG13 ILE 8 - H TYR 41 far 0 98 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 8869 from nnoeabs.peaks (0.79, 7.82, 117.81 ppm; 4.35 A): 4 out of 10 assignments used, quality = 0.99: QD2 LEU 42 + H TYR 41 OK 90 91 100 99 3.8-5.7 1943/6659=53...(15) QD1 LEU 6 + H TYR 41 OK 84 95 95 93 4.1-5.9 8227/6656=38...(16) QD2 LEU 38 + H TYR 41 OK 22 68 35 95 4.4-6.7 3.8/1623=48, 4.5/8884=38...(18) QD1 LEU 70 + H TYR 41 OK 21 81 40 64 5.4-8.0 8952/6643=18...(14) QD2 LEU 70 - H TYR 41 far 5 92 5 - 5.5-9.2 QD1 ILE 76 - H TYR 41 far 0 98 0 - 6.1-6.7 QG1 VAL 54 - H TYR 41 far 0 84 0 - 6.4-7.7 QG2 ILE 8 - H TYR 41 far 0 100 0 - 8.8-9.6 QG2 ILE 52 - H TYR 41 far 0 99 0 - 9.5-12.2 QG2 ILE 7 - H TYR 41 far 0 99 0 - 9.6-10.4 Violated in 2 structures by 0.02 A. Peak 8870 from nnoeabs.peaks (0.70, 7.82, 117.81 ppm; 4.64 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 42 + H TYR 41 OK 98 98 100 100 4.2-5.1 6676/6659=73...(25) QD2 LEU 6 + H TYR 41 OK 79 97 85 95 4.6-6.3 8229/6656=32...(15) QD1 ILE 56 - H TYR 41 far 5 100 5 - 6.0-9.1 QD1 ILE 8 - H TYR 41 far 0 99 0 - 7.2-8.2 HG13 ILE 56 - H TYR 41 far 0 97 0 - 8.1-9.7 QG2 VAL 78 - H TYR 41 far 0 91 0 - 8.5-9.5 QD1 ILE 52 - H TYR 41 far 0 100 0 - 8.9-9.9 QG1 VAL 58 - H TYR 41 far 0 92 0 - 9.8-10.5 Violated in 6 structures by 0.03 A. Peak 8880 from nnoeabs.peaks (2.10, 7.82, 117.81 ppm; 4.80 A): 3 out of 5 assignments used, quality = 0.97: HB3 GLU 37 + H TYR 41 OK 77 91 95 89 4.4-6.5 4.6/8884=46, 3.0/6640=37...(10) HB3 LEU 38 + H TYR 41 OK 72 73 100 98 5.0-6.0 3.0/1623=68, 3.8/8884=53...(15) HG2 GLU 44 + H TYR 41 OK 49 77 70 91 4.2-7.9 ~1881=32, ~1880=32...(16) HG3 GLU 37 - H TYR 41 poor 20 100 20 - 5.4-7.5 HB3 GLU 35 - H TYR 41 far 0 87 0 - 8.7-9.9 Violated in 6 structures by 0.05 A. Peak 8881 from nnoeabs.peaks (1.99, 7.82, 117.81 ppm; 4.69 A): 3 out of 9 assignments used, quality = 0.99: HB2 GLU 37 + H TYR 41 OK 88 99 100 89 4.3-5.9 1593/8884=46...(8) QE MET 74 + H TYR 41 OK 86 96 90 99 5.3-6.3 9585/6683=54...(19) HB2 GLU 44 + H TYR 41 OK 51 97 55 96 5.0-7.9 1880/3.0=60, 8988/4.6=39...(13) HB3 GLU 44 - H TYR 41 far 10 97 10 - 5.6-8.0 HB3 MET 74 - H TYR 41 far 0 87 0 - 7.9-9.8 HB3 ARG 46 - H TYR 41 far 0 82 0 - 8.0-11.0 HB2 ARG 46 - H TYR 41 far 0 98 0 - 8.5-11.2 HB2 GLU 35 - H TYR 41 far 0 91 0 - 9.3-10.6 HB2 LYS 47 - H TYR 41 far 0 94 0 - 10.0-13.5 Violated in 9 structures by 0.05 A. Peak 8882 from nnoeabs.peaks (1.89, 7.82, 117.81 ppm; 4.40 A): 2 out of 5 assignments used, quality = 0.99: HG LEU 42 + H TYR 41 OK 99 100 100 99 3.5-4.5 6675/6659=79...(22) HB3 LYS 39 + H TYR 41 OK 36 82 45 97 5.5-6.4 4.6/6644=56, 3.0/6643=48...(12) HB2 GLU 43 - H TYR 41 far 5 95 5 - 5.4-7.1 HB VAL 54 - H TYR 41 far 0 100 0 - 8.8-10.9 HB3 LYS 33 - H TYR 41 far 0 84 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 8883 from nnoeabs.peaks (1.79, 7.82, 117.81 ppm; 4.79 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 39 + H TYR 41 OK 99 100 100 100 5.1-6.3 6620/6644=82...(15) HB2 LEU 42 + H TYR 41 OK 97 97 100 100 4.8-5.4 6673/6659=79...(19) HG2 ARG 46 - H TYR 41 far 0 73 0 - 7.9-10.3 HG3 ARG 46 - H TYR 41 far 0 100 0 - 8.9-11.3 HB VAL 78 - H TYR 41 far 0 98 0 - 9.2-10.6 HB2 LYS 66 - H TYR 41 far 0 82 0 - 10.0-12.9 Violated in 9 structures by 0.06 A. Peak 8884 from nnoeabs.peaks (7.53, 7.82, 117.81 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: H LEU 38 + H TYR 41 OK 100 100 100 100 4.6-4.9 6616/6644=81...(20) Violated in 0 structures by 0.00 A. Peak 8912 from nnoeabs.peaks (0.88, 7.96, 115.96 ppm; 4.38 A): 3 out of 4 assignments used, quality = 0.90: QD1 LEU 38 + H LEU 42 OK 76 87 95 93 3.8-6.3 12068/6675=32...(13) QG2 ILE 76 + H LEU 42 OK 33 100 35 96 5.3-6.6 10883/6674=49...(14) QG1 VAL 32 + H LEU 42 OK 33 88 50 75 5.4-6.5 14619/4.6=27...(9) HG13 ILE 8 - H LEU 42 far 0 100 0 - 9.2-10.5 Violated in 14 structures by 0.16 A. Peak 8913 from nnoeabs.peaks (1.42, 7.96, 115.96 ppm; 4.56 A): 2 out of 5 assignments used, quality = 0.83: HG3 LYS 39 + H LEU 42 OK 77 90 90 95 4.7-6.3 3.9/6663=62...(14) HB2 LEU 38 + H LEU 42 OK 29 65 50 88 5.0-6.8 3.1/8912=35, 3.0/6665=24...(15) QB ALA 71 - H LEU 42 far 10 99 10 - 5.8-6.7 HG13 ILE 76 - H LEU 42 far 0 95 0 - 7.1-7.8 HG13 ILE 52 - H LEU 42 far 0 61 0 - 9.3-11.8 Violated in 20 structures by 0.49 A. Peak 8914 from nnoeabs.peaks (1.69, 7.96, 115.96 ppm; 4.62 A): 1 out of 7 assignments used, quality = 0.98: HB3 LYS 40 + H LEU 42 OK 98 99 100 99 4.7-5.0 1805/6659=72...(11) HB3 LEU 70 - H LEU 42 far 13 87 15 - 6.0-7.4 HD2 LYS 39 - H LEU 42 far 3 63 5 - 5.7-8.1 HG LEU 70 - H LEU 42 far 0 100 0 - 7.8-9.1 HD2 LYS 47 - H LEU 42 far 0 99 0 - 8.8-11.7 HD3 LYS 47 - H LEU 42 far 0 99 0 - 8.8-11.8 HB ILE 52 - H LEU 42 far 0 91 0 - 9.9-12.7 Violated in 20 structures by 0.14 A. Peak 8929 from nnoeabs.peaks (6.69, 7.96, 115.96 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.75: QD PHE 45 + H LEU 42 OK 75 75 100 100 4.7-5.4 8928/3.0=92...(17) Violated in 0 structures by 0.00 A. Peak 8932 from nnoeabs.peaks (0.90, 7.53, 119.20 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 32 + H LEU 38 OK 100 100 100 100 2.1-2.8 8937=77, 8831/6576=34...(26) HG13 ILE 8 - H LEU 38 far 0 96 0 - 5.9-8.6 Violated in 0 structures by 0.00 A. Peak 8940 from nnoeabs.peaks (4.29, 7.53, 119.20 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 36 + H LEU 38 OK 100 100 100 100 4.2-4.6 10541=100, 3.6/6576=87...(18) Violated in 0 structures by 0.00 A. Peak 8941 from nnoeabs.peaks (8.20, 7.53, 119.20 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.97: H ASP 36 + H LEU 38 OK 97 97 100 100 3.9-4.5 8772=82, 6565/6576=82...(20) H GLU 43 - H LEU 38 far 0 100 0 - 7.5-8.3 H LYS 68 - H LEU 38 far 0 98 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 8947 from nnoeabs.peaks (0.70, 8.08, 116.94 ppm; 4.92 A): 1 out of 7 assignments used, quality = 0.98: QD1 LEU 42 + H LYS 39 OK 98 99 100 100 3.1-4.0 8953/3.0=85...(27) QD1 ILE 8 - H LYS 39 poor 20 99 20 - 6.2-7.7 QD1 ILE 56 - H LYS 39 far 5 99 5 - 6.0-8.9 QD2 LEU 6 - H LYS 39 far 5 98 5 - 6.2-8.6 HG13 ILE 56 - H LYS 39 far 0 96 0 - 7.6-9.6 QG2 VAL 78 - H LYS 39 far 0 90 0 - 7.6-8.6 QG1 VAL 58 - H LYS 39 far 0 91 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 8949 from nnoeabs.peaks (4.29, 8.08, 116.94 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 36 + H LYS 39 OK 99 100 100 99 3.5-4.3 10560/6604=59...(21) Violated in 4 structures by 0.02 A. Peak 8954 from nnoeabs.peaks (2.21, 8.08, 116.94 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.98: HG2 GLU 35 + H LYS 39 OK 82 99 95 88 3.7-6.4 10534/8949=27...(19) HG3 GLU 35 + H LYS 39 OK 77 99 90 87 3.8-6.7 10534/8949=27...(18) HG2 GLU 43 + H LYS 39 OK 58 93 80 78 5.7-6.8 10575/1713=25...(14) HB2 GLU 63 - H LYS 39 far 0 99 0 - 9.1-11.2 Violated in 1 structures by 0.01 A. Peak 8955 from nnoeabs.peaks (2.52, 8.08, 116.94 ppm; 5.67 A): 3 out of 4 assignments used, quality = 1.00: HB3 ASP 36 + H LYS 39 OK 95 96 100 100 5.5-6.3 3.0/8949=92, 4.0/6577=74...(12) HB2 ASP 36 + H LYS 39 OK 95 95 100 100 5.7-6.5 3.0/8949=92, 4.0/6577=74...(13) HG2 MET 74 + H LYS 39 OK 34 100 35 98 6.6-8.2 ~9609=54, 9615/8947=51...(11) HG3 GLN 72 - H LYS 39 far 0 96 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 8961 from nnoeabs.peaks (6.85, 7.63, 118.27 ppm; 6.14 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + H LYS 40 OK 100 100 100 100 5.3-6.0 2.2/14600=71...(21) QD TYR 41 + H LYS 40 OK 92 92 100 100 3.9-4.9 4.6/6644=91, 4.6/6638=78...(28) Violated in 0 structures by 0.00 A. Peak 8972 from nnoeabs.peaks (1.67, 7.60, 120.47 ppm; 5.50 A): 4 out of 9 assignments used, quality = 1.00: HB3 LYS 40 + H GLU 44 OK 94 96 100 97 5.2-6.6 10610/6704=58...(10) HD3 LYS 47 + H GLU 44 OK 93 98 95 100 4.7-7.9 ~12088=54, ~12089=52...(20) HB2 LYS 40 + H GLU 44 OK 70 90 90 87 5.7-7.1 3.0/6700=47, 2.9/8973=37...(9) HD2 LYS 47 + H GLU 44 OK 68 98 70 100 4.5-7.8 ~12088=54, ~12089=52...(17) HD2 LYS 39 - H GLU 44 far 0 97 0 - 7.6-11.0 HB ILE 76 - H GLU 44 far 0 87 0 - 8.0-8.8 HD3 LYS 39 - H GLU 44 far 0 82 0 - 8.5-10.2 HB ILE 52 - H GLU 44 far 0 100 0 - 9.6-10.9 HB3 LEU 6 - H GLU 44 far 0 92 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 8973 from nnoeabs.peaks (1.34, 7.60, 120.47 ppm; 5.66 A): 2 out of 6 assignments used, quality = 0.95: HG3 LYS 40 + H GLU 44 OK 85 90 100 94 4.6-6.7 3.8/6700=44, 1.8/1806=24...(14) HB3 LEU 42 + H GLU 44 OK 69 70 100 100 5.5-5.9 4.6/6704=82, 3.0/6703=82...(13) HG2 LYS 39 - H GLU 44 far 5 99 5 - 7.0-9.1 HB3 ARG 30 - H GLU 44 far 0 70 0 - 8.9-10.1 QB ALA 67 - H GLU 44 far 0 100 0 - 9.5-10.7 HB2 LEU 70 - H GLU 44 far 0 73 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 8974 from nnoeabs.peaks (0.77, 7.60, 120.47 ppm; 5.19 A): 2 out of 8 assignments used, quality = 1.00: QD2 LEU 42 + H GLU 44 OK 99 100 100 99 5.4-6.3 1944/6703=70...(11) QD1 ILE 76 + H GLU 44 OK 76 79 100 97 4.6-5.2 9630/6716=42...(18) QD1 LEU 6 - H GLU 44 far 10 100 10 - 6.5-7.6 QG1 VAL 54 - H GLU 44 far 10 99 10 - 6.5-7.5 QG2 ILE 52 - H GLU 44 far 0 100 0 - 7.0-8.9 QG1 VAL 78 - H GLU 44 far 0 84 0 - 7.2-8.0 QD2 LEU 70 - H GLU 44 far 0 65 0 - 8.3-11.5 QD2 LEU 2 - H GLU 44 far 0 63 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 8975 from nnoeabs.peaks (0.71, 7.60, 120.47 ppm; 5.69 A): 3 out of 6 assignments used, quality = 0.99: QD1 ILE 52 + H GLU 44 OK 90 93 100 97 6.2-6.8 9152/6722=61...(9) QD1 LEU 42 + H GLU 44 OK 85 85 100 99 6.0-6.5 4.0/6703=71, 4.7/6702=66...(14) QD2 LEU 6 + H GLU 44 OK 22 82 45 58 6.7-7.7 8207/8984=28...(6) QG1 VAL 78 - H GLU 44 far 0 73 0 - 7.2-8.0 QD1 ILE 56 - H GLU 44 far 0 100 0 - 8.3-10.5 QG2 VAL 78 - H GLU 44 far 0 99 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 8976 from nnoeabs.peaks (2.98, 7.60, 120.47 ppm; 5.03 A): 2 out of 4 assignments used, quality = 1.00: HB2 PHE 45 + H GLU 44 OK 99 100 100 99 5.0-6.4 3.7/6722=84, 2.5/8985=65...(10) HB3 PHE 45 + H GLU 44 OK 94 95 100 99 5.0-6.4 3.7/6722=84, 2.5/8985=65...(11) HE2 LYS 47 - H GLU 44 far 15 99 15 - 5.7-8.2 HE3 LYS 47 - H GLU 44 far 5 99 5 - 5.3-8.6 Violated in 4 structures by 0.02 A. Peak 8984 from nnoeabs.peaks (6.83, 7.60, 120.47 ppm; 5.48 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 41 + H GLU 44 OK 98 100 100 98 5.4-6.1 4.6/6702=63, 8988/3.9=60...(18) QE TYR 41 - H GLU 44 far 0 90 0 - 7.4-8.0 Violated in 17 structures by 0.24 A. Peak 8985 from nnoeabs.peaks (6.68, 7.60, 120.47 ppm; 5.46 A): 1 out of 1 assignment used, quality = 0.87: QD PHE 45 + H GLU 44 OK 87 87 100 100 4.4-5.0 4.6/6722=81...(17) Violated in 0 structures by 0.00 A. Peak 9028 from nnoeabs.peaks (0.79, 8.02, 118.14 ppm; 3.83 A): 6 out of 16 assignments used, quality = 1.00: QD1 ILE 76 + H ARG 46 OK 99 99 100 100 2.3-3.6 9630=67, 9639/3.0=56...(28) QG2 ILE 15 + H GLU 16 OK 57 57 100 100 2.9-3.6 660=89, 2.1/652=73...(24) QD1 ILE 15 + H GLU 16 OK 40 41 100 99 3.7-4.2 3.2/652=57, 3.0/660=57...(16) HG13 ILE 15 + H GLU 16 OK 34 34 100 99 5.1-5.3 2.9/652=62, 2.1/684=55...(14) QG2 ILE 7 + H GLU 16 OK 33 64 60 85 4.8-5.5 637/3.6=28, 648/652=27...(15) QG2 ILE 52 + H ARG 46 OK 22 98 25 90 3.5-6.3 3.1/9151=34...(12) QD2 LEU 42 - H ARG 46 far 0 85 0 - 5.5-6.5 QG1 VAL 54 - H ARG 46 far 0 77 0 - 5.8-7.5 QD2 LEU 2 - H ARG 46 far 0 95 0 - 6.5-9.6 QD1 ILE 93 - H GLU 16 far 0 53 0 - 7.0-8.2 QD1 LEU 6 - H ARG 46 far 0 91 0 - 7.4-9.5 QD2 LEU 38 - H ARG 46 far 0 75 0 - 8.8-12.1 QD2 LEU 57 - H GLU 16 far 0 65 0 - 8.8-10.4 QD1 LEU 57 - H GLU 16 far 0 36 0 - 9.4-11.2 QD1 LEU 70 - H ARG 46 far 0 87 0 - 9.6-11.3 QD2 LEU 70 - H ARG 46 far 0 96 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 9029 from nnoeabs.peaks (2.35, 7.47, 116.94 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.97: HG2 GLU 48 + H LYS 47 OK 94 98 100 96 4.0-5.5 4.9/6780=60...(15) HG3 GLU 44 + H LYS 47 OK 46 100 55 84 5.7-8.0 1996/6758=63...(8) HG3 GLU 43 - H LYS 47 far 0 87 0 - 6.3-7.9 Violated in 2 structures by 0.02 A. Peak 9034 from nnoeabs.peaks (0.88, 7.62, 118.85 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 2 + H GLU 48 OK 99 100 100 99 4.8-6.7 9038/4.0=63...(16) QG2 ILE 76 + H GLU 48 OK 92 100 95 97 4.6-6.9 9071/9080=35...(14) Violated in 3 structures by 0.03 A. Peak 9035 from nnoeabs.peaks (0.80, 7.62, 118.85 ppm; 5.22 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 52 + H GLU 48 OK 95 95 100 100 3.7-4.8 3.1/9036=78...(21) QD1 ILE 76 + H GLU 48 OK 81 100 90 90 5.3-7.1 9639/10188=38...(12) QD2 LEU 2 + H GLU 48 OK 54 98 60 92 4.7-7.8 2.1/9034=39...(12) QG1 VAL 54 - H GLU 48 far 0 70 0 - 8.3-9.7 QD2 LEU 42 - H GLU 48 far 0 79 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 9036 from nnoeabs.peaks (0.70, 7.62, 118.85 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: QD1 ILE 52 + H GLU 48 OK 100 100 100 100 3.3-4.5 9177/6792=71...(23) QD1 LEU 42 - H GLU 48 far 0 98 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 9046 from nnoeabs.peaks (0.89, 7.72, 114.22 ppm; 5.68 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 2 + H SER 49 OK 100 100 100 100 3.9-6.1 9038/2236=65...(18) QG2 ILE 76 + H SER 49 OK 99 100 100 99 3.6-6.3 9065/3.9=64...(15) Violated in 0 structures by 0.00 A. Peak 9047 from nnoeabs.peaks (0.79, 7.72, 114.22 ppm; 4.99 A): 3 out of 5 assignments used, quality = 1.00: QG2 ILE 52 + H SER 49 OK 99 99 100 100 2.1-4.0 9066/3.9=69, 3.1/9048=61...(26) QD2 LEU 2 + H SER 49 OK 70 91 85 91 4.3-6.8 2.1/9046=31, ~9056=26...(14) QD1 ILE 76 + H SER 49 OK 49 98 60 84 5.2-7.2 9639/12313=39...(8) QG1 VAL 54 - H SER 49 far 0 84 0 - 8.1-9.8 QD2 LEU 42 - H SER 49 far 0 91 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 9048 from nnoeabs.peaks (0.70, 7.72, 114.22 ppm; 5.29 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 52 + H SER 49 OK 100 100 100 100 1.8-5.0 9036/6795=75...(27) QD1 LEU 42 - H SER 49 far 0 98 0 - 9.3-11.0 QG2 VAL 78 - H SER 49 far 0 91 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 9076 from nnoeabs.peaks (7.48, 7.72, 114.22 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: H LYS 47 + H SER 49 OK 98 99 100 100 4.2-5.0 6778/6795=88...(11) H ILE 52 + H SER 49 OK 89 98 100 91 4.3-6.2 6864/9048=48...(11) HE ARG 46 - H SER 49 far 0 98 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 9082 from nnoeabs.peaks (7.62, 6.92, 112.80 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 50 + HE21 GLN 50 OK 100 100 100 100 1.7-1.7 1.7=100 H GLU 48 - HE21 GLN 50 far 0 99 0 - 5.9-12.0 Violated in 0 structures by 0.00 A. Peak 9083 from nnoeabs.peaks (6.92, 7.62, 112.80 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 50 + HE22 GLN 50 OK 100 100 100 100 1.7-1.7 1.7=100 Violated in 0 structures by 0.00 A. Peak 9084 from nnoeabs.peaks (7.62, 7.62, 112.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 50 + HE22 GLN 50 OK 100 100 - 100 Peak 9085 from nnoeabs.peaks (8.55, 7.62, 112.80 ppm; 5.75 A): 3 out of 3 assignments used, quality = 1.00: * H GLN 50 + HE22 GLN 50 OK 100 100 100 100 1.9-5.1 3.0/9096=94, 6814/4.5=79...(13) H ASN 51 + HE22 GLN 50 OK 98 98 100 100 2.9-6.3 3.6/9096=88, 6830/4.5=74...(11) H LEU 2 + HE22 GLN 50 OK 26 63 50 81 4.9-9.7 4.7/9091=64, 4.7/9092=33...(6) Violated in 0 structures by 0.00 A. Peak 9086 from nnoeabs.peaks (4.42, 7.62, 112.80 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.99: HA GLN 50 + HE22 GLN 50 OK 94 94 100 100 2.3-4.6 5.7=100 HA GLU 48 + HE22 GLN 50 OK 76 98 85 91 3.8-11.2 12314/6.6=51...(11) HA ILE 76 - HE22 GLN 50 far 5 98 5 - 6.7-12.4 Violated in 0 structures by 0.00 A. Peak 9087 from nnoeabs.peaks (2.43, 7.62, 112.80 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.6-3.5 3.5=100 HG2 GLN 50 + HE22 GLN 50 OK 75 75 100 100 2.3-3.6 3.5=100 HG3 GLU 48 - HE22 GLN 50 far 5 100 5 - 3.6-11.8 HG3 MET 1 - HE22 GLN 50 far 0 98 0 - 5.6-11.0 Violated in 0 structures by 0.00 A. Peak 9088 from nnoeabs.peaks (2.40, 7.62, 112.80 ppm; 3.63 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + HE22 GLN 50 OK 100 100 100 100 2.3-3.6 3.5=100 HG3 GLN 50 + HE22 GLN 50 OK 75 75 100 100 2.6-3.5 3.5=100 HG3 GLU 48 - HE22 GLN 50 far 4 79 5 - 3.6-11.8 HG3 MET 1 - HE22 GLN 50 far 0 94 0 - 5.6-11.0 Violated in 0 structures by 0.00 A. Peak 9089 from nnoeabs.peaks (2.17, 7.62, 112.80 ppm; 5.36 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLN 50 + HE22 GLN 50 OK 100 100 100 100 1.8-3.6 4.5=100 HG2 MET 1 - HE22 GLN 50 poor 10 87 25 47 6.0-11.9 8054/9091=29...(6) HB2 GLU 75 - HE22 GLN 50 far 0 59 0 - 8.1-15.9 HB3 GLU 75 - HE22 GLN 50 far 0 96 0 - 8.5-15.8 Violated in 0 structures by 0.00 A. Peak 9090 from nnoeabs.peaks (2.02, 7.62, 112.80 ppm; 5.57 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLN 50 + HE22 GLN 50 OK 100 100 100 100 1.8-4.0 4.5=100 HB3 GLU 48 + HE22 GLN 50 OK 55 87 75 85 3.6-11.1 3.0/9086=30, 1.8/2230=25...(11) HB3 MET 1 - HE22 GLN 50 poor 9 91 25 39 5.0-10.9 8053/9091=17...(5) HB2 MET 74 - HE22 GLN 50 far 0 59 0 - 8.8-17.2 Violated in 0 structures by 0.00 A. Peak 9091 from nnoeabs.peaks (0.89, 7.62, 112.80 ppm; 4.99 A): 1 out of 2 assignments used, quality = 0.75: QD1 LEU 2 + HE22 GLN 50 OK 75 100 75 100 2.6-7.3 9093/1.7=79...(17) QG2 ILE 76 - HE22 GLN 50 far 5 100 5 - 5.8-10.4 Violated in 7 structures by 0.48 A. Peak 9092 from nnoeabs.peaks (0.81, 7.62, 112.80 ppm; 5.16 A): 2 out of 3 assignments used, quality = 0.91: QD2 LEU 2 + HE22 GLN 50 OK 75 100 75 99 2.9-9.1 2.1/9091=81...(14) QG2 ILE 52 + HE22 GLN 50 OK 66 81 95 86 3.0-6.7 89/9091=23, 9094/1.7=23...(15) QD1 ILE 76 - HE22 GLN 50 far 0 100 0 - 7.3-12.4 Violated in 6 structures by 0.16 A. Peak 9093 from nnoeabs.peaks (0.88, 6.92, 112.80 ppm; 5.06 A): 1 out of 2 assignments used, quality = 0.70: QD1 LEU 2 + HE21 GLN 50 OK 70 100 70 100 3.3-8.5 9091/1.7=82...(9) QG2 ILE 76 - HE21 GLN 50 far 5 100 5 - 5.6-11.5 Violated in 13 structures by 1.05 A. Peak 9094 from nnoeabs.peaks (0.82, 6.92, 112.80 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.49: QD2 LEU 2 + HE21 GLN 50 OK 49 99 50 99 3.8-9.7 2.1/9093=69, 12038=63...(9) QG2 ILE 52 - HE21 GLN 50 poor 18 57 45 70 4.2-8.1 9092/1.7=31, 89/9093=20...(10) QD1 ILE 76 - HE21 GLN 50 far 0 94 0 - 6.6-13.4 Violated in 17 structures by 1.98 A. Peak 9097 from nnoeabs.peaks (7.62, 8.55, 120.13 ppm; 5.72 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 50 + H GLN 50 OK 100 100 100 100 1.9-5.1 9096/3.0=94, 4.5/6814=79...(14) H GLU 48 + H GLN 50 OK 99 99 100 100 4.5-6.8 3.0/12314=93...(13) Violated in 0 structures by 0.00 A. Peak 9104 from nnoeabs.peaks (0.80, 8.55, 120.13 ppm; 5.99 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 52 + H GLN 50 OK 95 95 100 100 1.9-5.2 9066/4.3=78, 9165/4.3=68...(24) QD2 LEU 2 + H GLN 50 OK 91 98 95 98 3.6-7.8 12038/6.6=41...(20) QD1 ILE 76 - H GLN 50 far 15 100 15 - 7.2-9.4 QG1 VAL 54 - H GLN 50 far 0 70 0 - 9.2-11.4 QD2 LEU 42 - H GLN 50 far 0 79 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 9105 from nnoeabs.peaks (1.68, 8.53, 118.16 ppm; 5.83 A): 2 out of 4 assignments used, quality = 1.00: HB ILE 52 + H ASN 51 OK 99 99 100 100 4.2-6.4 6860/6839=93...(14) HB2 LEU 2 + H ASN 51 OK 24 88 35 77 6.3-9.4 8046/10200=28...(9) HB3 LYS 53 - H ASN 51 far 0 100 0 - 7.7-9.6 HB ILE 76 - H ASN 51 far 0 70 0 - 9.8-11.1 Violated in 7 structures by 0.09 A. Peak 9106 from nnoeabs.peaks (1.47, 8.53, 118.16 ppm; 5.69 A): 2 out of 5 assignments used, quality = 0.91: HG2 LYS 53 + H ASN 51 OK 79 100 95 83 6.1-8.9 10852/9107=42...(10) HG13 ILE 52 + H ASN 51 OK 58 98 60 99 3.9-7.4 5.1/6839=74, 3.2/9107=60...(11) HD2 LYS 53 - H ASN 51 far 10 99 10 - 6.6-9.4 HG3 LYS 53 - H ASN 51 far 0 100 0 - 7.6-9.1 HG13 ILE 76 - H ASN 51 far 0 71 0 - 8.5-10.4 Violated in 14 structures by 0.34 A. Peak 9107 from nnoeabs.peaks (0.78, 8.53, 118.16 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 52 + H ASN 51 OK 100 100 100 100 2.6-4.7 2350/6839=70...(26) QD2 LEU 2 + H ASN 51 OK 40 71 60 93 2.8-6.9 6861/6839=28, 2.1/84=21...(24) QG1 VAL 78 - H ASN 51 far 0 77 0 - 8.5-9.9 QD1 ILE 76 - H ASN 51 far 0 85 0 - 8.8-10.0 QG1 VAL 54 - H ASN 51 far 0 97 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 9108 from nnoeabs.peaks (3.86, 8.53, 118.16 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.73: HB3 SER 49 + H ASN 51 OK 73 100 75 98 3.6-7.3 3.0/9110=77, 1.8/9109=72...(9) HA2 GLY 101 - H ASN 51 far 0 100 0 - 8.9-13.2 HA3 GLY 101 - H ASN 51 far 0 77 0 - 9.0-13.3 Violated in 16 structures by 1.11 A. Peak 9109 from nnoeabs.peaks (4.07, 8.53, 118.16 ppm; 5.79 A): 1 out of 2 assignments used, quality = 0.99: HB2 SER 49 + H ASN 51 OK 99 99 100 100 2.2-6.7 1.8/9108=91, 3.0/9110=85...(11) HA ARG 46 - H ASN 51 poor 20 99 20 - 6.4-9.2 Violated in 10 structures by 0.22 A. Peak 9110 from nnoeabs.peaks (4.26, 8.53, 118.16 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.97: HA SER 49 + H ASN 51 OK 97 97 100 100 3.9-5.5 3.0/9108=58, 3.0/9109=51...(16) Violated in 13 structures by 0.14 A. Peak 9117 from nnoeabs.peaks (2.41, 6.98, 112.98 ppm; 5.62 A): 3 out of 4 assignments used, quality = 1.00: HG3 MET 1 + HD21 ASN 51 OK 99 100 100 100 4.2-6.2 4.2/9130=57, ~8036=51...(28) HG2 GLN 50 + HD21 ASN 51 OK 91 98 95 97 1.9-7.6 3.7/9129=65...(15) HG3 GLN 50 + HD21 ASN 51 OK 76 93 85 96 2.7-8.4 3.7/9129=65...(13) HG3 GLU 48 - HD21 ASN 51 poor 19 95 20 - 3.9-12.2 Violated in 0 structures by 0.00 A. Peak 9118 from nnoeabs.peaks (2.00, 6.98, 112.98 ppm; 5.22 A): 3 out of 3 assignments used, quality = 0.99: HB3 MET 1 + HD21 ASN 51 OK 90 100 90 100 3.2-7.5 3.0/9130=58, ~8001=49...(30) HB2 GLN 50 + HD21 ASN 51 OK 73 93 80 99 3.9-7.9 3.0/9129=63, ~9128=42...(14) QE MET 1 + HD21 ASN 51 OK 68 81 85 99 3.5-7.6 8030/3.5=58, 8036/1.7=53...(13) Violated in 0 structures by 0.00 A. Peak 9119 from nnoeabs.peaks (1.50, 6.98, 112.98 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.54: HG LEU 2 + HD21 ASN 51 OK 54 98 55 100 4.3-9.4 9125/1.7=80, 2.1/9120=77...(10) HG2 LYS 53 - HD21 ASN 51 far 0 57 0 - 7.0-9.4 HG3 LYS 53 - HD21 ASN 51 far 0 68 0 - 8.1-10.6 Violated in 16 structures by 1.84 A. Peak 9120 from nnoeabs.peaks (0.90, 6.98, 112.98 ppm; 5.37 A): 1 out of 3 assignments used, quality = 0.67: QD1 LEU 2 + HD21 ASN 51 OK 67 96 70 100 2.0-8.1 9126/1.7=88, 2.1/9119=79...(18) QG2 ILE 76 - HD21 ASN 51 far 0 96 0 - 8.3-11.1 QD1 LEU 103 - HD21 ASN 51 far 0 70 0 - 9.2-17.9 Violated in 7 structures by 0.70 A. Peak 9121 from nnoeabs.peaks (0.83, 6.98, 112.98 ppm; 6.12 A): 1 out of 2 assignments used, quality = 0.87: QD2 LEU 2 + HD21 ASN 51 OK 87 92 95 100 2.4-8.9 2.1/9119=93, 2.1/9120=93...(18) QD1 LEU 103 - HD21 ASN 51 far 0 65 0 - 9.2-17.9 Violated in 3 structures by 0.23 A. Peak 9122 from nnoeabs.peaks (2.40, 7.68, 112.98 ppm; 6.34 A): 3 out of 4 assignments used, quality = 1.00: HG2 GLN 50 + HD22 ASN 51 OK 94 100 95 99 2.9-8.0 3.7/9128=71...(16) HG3 MET 1 + HD22 ASN 51 OK 94 94 100 100 2.7-4.7 3.3/8036=80, 4.2/8001=74...(31) HG3 GLN 50 + HD22 ASN 51 OK 70 75 95 98 3.5-8.4 3.7/9128=71...(14) HG3 GLU 48 - HD22 ASN 51 poor 20 79 25 - 4.6-12.0 Violated in 0 structures by 0.00 A. Peak 9123 from nnoeabs.peaks (2.32, 7.68, 112.98 ppm; 5.70 A): 0 out of 3 assignments used, quality = 0.00: HB2 GLU 48 - HD22 ASN 51 poor 18 91 20 - 6.5-11.0 HG2 GLU 48 - HD22 ASN 51 far 15 97 15 - 4.8-12.8 HB2 TYR 4 - HD22 ASN 51 far 0 81 0 - 9.9-13.4 Violated in 17 structures by 1.82 A. Peak 9124 from nnoeabs.peaks (1.99, 7.68, 112.98 ppm; 5.42 A): 3 out of 5 assignments used, quality = 1.00: HB3 MET 1 + HD22 ASN 51 OK 99 99 100 100 1.9-6.0 3.0/8001=68, 4.2/8036=55...(30) QE MET 1 + HD22 ASN 51 OK 95 95 100 100 2.4-6.5 8036=83, 8030/3.5=76...(17) HB2 GLN 50 + HD22 ASN 51 OK 65 77 85 99 4.5-7.7 3.0/9128=58, 4.6/6838=56...(16) HB3 ARG 46 - HD22 ASN 51 far 0 70 0 - 9.1-15.2 HB2 ARG 46 - HD22 ASN 51 far 0 93 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 9125 from nnoeabs.peaks (1.51, 7.68, 112.98 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.60: HG LEU 2 + HD22 ASN 51 OK 60 100 60 100 4.4-8.3 2.1/9126=84, 9119/1.7=83...(14) Violated in 13 structures by 1.10 A. Peak 9126 from nnoeabs.peaks (0.90, 7.68, 112.98 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.81: QD1 LEU 2 + HD22 ASN 51 OK 81 96 85 100 1.9-7.6 9120/1.7=74, 2.1/9125=70...(20) QG2 ILE 76 - HD22 ASN 51 far 0 96 0 - 7.5-10.7 QD1 LEU 103 - HD22 ASN 51 far 0 70 0 - 8.7-16.7 Violated in 7 structures by 0.53 A. Peak 9127 from nnoeabs.peaks (0.81, 7.68, 112.98 ppm; 5.69 A): 2 out of 3 assignments used, quality = 0.99: QD2 LEU 2 + HD22 ASN 51 OK 95 100 95 100 2.2-7.9 2.1/9126=90, 2.1/9125=84...(20) QG2 ILE 52 + HD22 ASN 51 OK 71 73 100 97 2.3-6.9 ~10634=48, 9116/3.5=46...(18) QD1 ILE 76 - HD22 ASN 51 far 0 99 0 - 9.8-13.6 Violated in 1 structures by 0.03 A. Peak 9128 from nnoeabs.peaks (4.41, 7.68, 112.98 ppm; 6.12 A): 1 out of 4 assignments used, quality = 0.98: HA GLN 50 + HD22 ASN 51 OK 98 98 100 100 4.4-6.2 9129/1.7=93, 3.6/6838=80...(12) HA GLU 48 - HD22 ASN 51 far 0 94 0 - 7.8-11.7 HA ILE 76 - HD22 ASN 51 far 0 94 0 - 9.3-12.8 HA SER 102 - HD22 ASN 51 far 0 77 0 - 10.0-16.0 Violated in 1 structures by 0.00 A. Peak 9129 from nnoeabs.peaks (4.42, 6.98, 112.98 ppm; 5.55 A): 1 out of 2 assignments used, quality = 0.93: HA GLN 50 + HD21 ASN 51 OK 93 94 100 99 4.3-6.3 9128/1.7=69...(11) HA GLU 48 - HD21 ASN 51 far 5 98 5 - 6.9-11.9 Violated in 10 structures by 0.18 A. Peak 9130 from nnoeabs.peaks (4.15, 6.98, 112.98 ppm; 5.83 A): 1 out of 2 assignments used, quality = 0.94: HA MET 1 + HD21 ASN 51 OK 94 99 95 100 2.2-7.7 8001/1.7=89, 8005/3.5=87...(29) HA LYS 47 - HD21 ASN 51 far 0 100 0 - 9.5-15.8 Violated in 6 structures by 0.29 A. Peak 9137 from nnoeabs.peaks (6.45, 7.49, 117.93 ppm; 5.62 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + H ILE 52 OK 99 100 100 99 5.7-6.9 8156/6862=57...(12) QD TYR 4 + H ILE 52 OK 86 98 90 98 6.2-7.2 9142/6860=41...(13) Violated in 12 structures by 0.21 A. Peak 9139 from nnoeabs.peaks (4.42, 7.49, 117.93 ppm; 5.02 A): 1 out of 3 assignments used, quality = 0.87: HA GLN 50 + H ILE 52 OK 87 90 100 97 3.5-4.7 3.6/6839=81...(9) HA ILE 76 - H ILE 52 poor 15 99 25 62 6.0-7.8 8317/6864=29...(5) HA GLU 48 - H ILE 52 far 0 99 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. Peak 9153 from nnoeabs.peaks (0.90, 7.49, 117.93 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 2 + H ILE 52 OK 96 96 100 100 3.1-4.3 8049/3.0=63...(28) QG2 ILE 76 + H ILE 52 OK 77 96 100 80 4.8-5.9 10640/6864=34...(10) Violated in 0 structures by 0.00 A. Peak 9154 from nnoeabs.peaks (1.99, 7.49, 117.93 ppm; 4.71 A): 3 out of 7 assignments used, quality = 0.97: QE MET 1 + H ILE 52 OK 84 99 85 100 4.4-6.5 8037=94, 8032/6854=74...(15) HB2 GLN 50 + H ILE 52 OK 61 65 100 93 4.0-5.6 4.6/6839=59, 3.0/9139=51...(11) HB3 MET 1 + H ILE 52 OK 47 96 50 97 5.0-7.6 4.2/8037=51, ~8004=35...(14) HB3 ARG 46 - H ILE 52 far 0 81 0 - 6.3-10.7 HB2 ARG 46 - H ILE 52 far 0 98 0 - 7.3-10.8 HB2 LYS 47 - H ILE 52 far 0 93 0 - 9.5-11.5 HB3 MET 74 - H ILE 52 far 0 85 0 - 9.6-13.3 Violated in 1 structures by 0.00 A. Peak 9178 from nnoeabs.peaks (5.13, 8.47, 123.25 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 3 + H LYS 53 OK 99 100 100 99 1.9-3.2 8064=48, 97/9182=47...(22) HA VAL 54 + H LYS 53 OK 73 79 100 93 4.8-5.1 ~6886=27, 10203/11098=26...(18) HA TYR 4 - H LYS 53 far 0 98 0 - 5.5-6.5 HA VAL 5 - H LYS 53 far 0 87 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 9179 from nnoeabs.peaks (2.44, 8.47, 123.25 ppm; 5.98 A): 3 out of 6 assignments used, quality = 1.00: HG3 MET 1 + H LYS 53 OK 95 95 100 100 3.6-6.1 1.8/9180=88...(16) HB3 TYR 4 + H LYS 53 OK 86 88 100 97 5.9-6.9 3.8/11098=85...(8) HG3 GLU 48 + H LYS 53 OK 52 100 65 80 6.2-7.9 9043/4.3=43...(9) HG2 GLN 50 - H LYS 53 far 0 68 0 - 8.1-10.7 HG3 GLN 50 - H LYS 53 far 0 100 0 - 8.9-11.3 HG3 GLU 99 - H LYS 53 far 0 100 0 - 9.2-14.7 Violated in 0 structures by 0.00 A. Peak 9180 from nnoeabs.peaks (2.21, 8.47, 123.25 ppm; 5.76 A): 1 out of 2 assignments used, quality = 0.91: HG2 MET 1 + H LYS 53 OK 91 96 95 100 4.2-7.3 8018/9182=74...(12) HG2 GLU 99 - H LYS 53 far 0 100 0 - 9.2-14.1 Violated in 3 structures by 0.09 A. Peak 9181 from nnoeabs.peaks (0.47, 8.47, 123.25 ppm; 5.44 A): 1 out of 3 assignments used, quality = 0.99: QD1 LEU 3 + H LYS 53 OK 99 99 100 100 4.7-6.0 2.1/9182=98, 3.1/9183=65...(23) QD1 LEU 55 - H LYS 53 far 0 63 0 - 8.6-9.2 QD2 LEU 55 - H LYS 53 far 0 68 0 - 8.7-9.4 Violated in 8 structures by 0.12 A. Peak 9182 from nnoeabs.peaks (0.27, 8.47, 123.25 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 3 + H LYS 53 OK 99 99 100 100 3.4-4.4 8114/3.9=55, 8115/3.9=50...(23) Violated in 11 structures by 0.09 A. Peak 9183 from nnoeabs.peaks (1.17, 8.47, 123.25 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.89: HB3 LEU 3 + H LYS 53 OK 89 90 100 100 3.9-5.7 3.1/9182=92, 3.1/9181=73...(10) Violated in 1 structures by 0.00 A. Peak 9184 from nnoeabs.peaks (1.32, 8.47, 123.25 ppm; 5.04 A): 2 out of 5 assignments used, quality = 1.00: HB3 LEU 2 + H LYS 53 OK 95 96 100 98 3.8-6.2 8047/6868=64...(16) HG LEU 3 + H LYS 53 OK 93 93 100 100 3.3-4.9 2.1/9182=93, 2.1/9181=68...(26) HB3 LEU 27 - H LYS 53 far 0 84 0 - 6.6-8.9 HB3 LEU 42 - H LYS 53 far 0 96 0 - 8.7-10.9 QB ALA 25 - H LYS 53 far 0 91 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 9185 from nnoeabs.peaks (2.00, 8.47, 123.25 ppm; 5.71 A): 2 out of 4 assignments used, quality = 0.95: QE MET 1 + H LYS 53 OK 81 81 100 100 3.9-5.9 3.3/9180=67...(17) HB3 MET 1 + H LYS 53 OK 73 100 75 98 5.2-8.0 3.0/9180=70...(11) HB2 GLN 50 - H LYS 53 far 0 93 0 - 7.8-10.1 HB2 ARG 46 - H LYS 53 far 0 77 0 - 8.6-12.0 Violated in 0 structures by 0.00 A. Peak 9208 from nnoeabs.peaks (6.46, 8.47, 123.25 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.98: QE TYR 4 + H LYS 53 OK 93 95 100 98 3.7-4.6 8126/11098=44...(22) QD TYR 4 + H LYS 53 OK 78 79 100 99 2.6-3.9 4.5/11098=62...(26) Violated in 0 structures by 0.00 A. Peak 9218 from nnoeabs.peaks (6.97, 8.49, 120.76 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.95: QE PHE 96 + H VAL 54 OK 95 95 100 100 3.1-4.1 2.2/9219=83, 9220/3.0=79...(26) Violated in 0 structures by 0.00 A. Peak 9219 from nnoeabs.peaks (7.07, 8.49, 120.76 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 96 + H VAL 54 OK 99 99 100 100 1.9-3.1 2.2/9218=69...(23) Violated in 0 structures by 0.00 A. Peak 9241 from nnoeabs.peaks (2.63, 8.49, 120.76 ppm; 5.91 A): 1 out of 3 assignments used, quality = 1.00: HB3 ASP 77 + H VAL 54 OK 100 100 100 100 3.9-6.5 1.8/9242=98...(17) HG3 MET 74 - H VAL 54 far 0 99 0 - 8.9-11.2 HB3 TYR 41 - H VAL 54 far 0 100 0 - 9.4-11.6 Violated in 6 structures by 0.09 A. Peak 9242 from nnoeabs.peaks (3.22, 8.49, 120.76 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.97: HB2 ASP 77 + H VAL 54 OK 97 98 100 99 3.8-6.0 9673/6886=66...(16) Violated in 8 structures by 0.23 A. Peak 9291 from nnoeabs.peaks (6.98, 8.64, 131.90 ppm; 4.30 A): 1 out of 1 assignment used, quality = 0.83: QE PHE 96 + H LEU 55 OK 83 84 100 99 2.2-4.4 10669/2.9=64...(18) Violated in 2 structures by 0.01 A. Peak 9292 from nnoeabs.peaks (7.07, 8.64, 131.90 ppm; 4.13 A): 2 out of 2 assignments used, quality = 0.98: HZ PHE 96 + H LEU 55 OK 96 100 100 96 2.8-4.4 2.2/9291=67, ~10669=37...(13) QD PHE 96 + H LEU 55 OK 60 63 100 95 4.0-5.3 2.2/9291=67, ~10669=37...(14) Violated in 1 structures by 0.00 A. Peak 9293 from nnoeabs.peaks (8.36, 8.64, 131.90 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: H TYR 4 + H LEU 55 OK 100 100 100 100 3.2-4.3 8121=97, 10203/6902=67...(16) H ILE 93 - H LEU 55 far 0 100 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 9294 from nnoeabs.peaks (9.31, 8.64, 131.90 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.99: H LEU 6 + H LEU 55 OK 99 99 100 100 3.3-4.2 8199=91, 6059/9295=74...(17) Violated in 0 structures by 0.00 A. Peak 9295 from nnoeabs.peaks (5.09, 8.64, 131.90 ppm; 3.32 A): 1 out of 2 assignments used, quality = 0.94: HA VAL 5 + H LEU 55 OK 94 96 100 98 1.9-2.6 8164=55, 6059/9294=33...(22) HA LEU 3 - H LEU 55 far 0 63 0 - 5.2-6.6 Violated in 0 structures by 0.00 A. Peak 9296 from nnoeabs.peaks (8.93, 8.64, 131.90 ppm; 5.67 A): 2 out of 2 assignments used, quality = 1.00: H LEU 57 + H LEU 55 OK 98 100 100 98 6.4-7.0 9333/8199=71...(11) H VAL 5 + H LEU 55 OK 97 97 100 100 3.8-4.3 3.0/9295=99, 8161=93...(18) Violated in 0 structures by 0.00 A. Peak 9297 from nnoeabs.peaks (8.51, 9.19, 126.37 ppm; 4.50 A): 1 out of 5 assignments used, quality = 0.97: H ARG 79 + H ILE 56 OK 97 97 100 100 3.0-4.3 9697=96, 11118/6915=66...(22) H VAL 58 - H ILE 56 far 4 79 5 - 6.0-6.5 H VAL 54 - H ILE 56 far 0 88 0 - 6.1-6.9 H ALA 67 - H ILE 56 far 0 71 0 - 8.5-9.4 H VAL 32 - H ILE 56 far 0 71 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 9298 from nnoeabs.peaks (8.75, 9.19, 126.37 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: H ARG 81 + H ILE 56 OK 100 100 100 100 3.1-4.3 9753=99, 7311/9299=80...(19) H LYS 82 - H ILE 56 far 0 71 0 - 6.9-8.2 Violated in 0 structures by 0.00 A. Peak 9299 from nnoeabs.peaks (5.33, 9.19, 126.37 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: HA THR 80 + H ILE 56 OK 100 100 100 100 2.5-3.1 9701=85, 10293/3.8=45...(22) Violated in 0 structures by 0.00 A. Peak 9300 from nnoeabs.peaks (5.20, 9.19, 126.37 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.97: HA VAL 78 + H ILE 56 OK 95 100 100 95 5.2-6.5 7284/9697=79...(12) HA VAL 54 + H ILE 56 OK 51 63 100 80 5.8-6.3 3.2/10662=53...(6) Violated in 17 structures by 0.24 A. Peak 9301 from nnoeabs.peaks (5.11, 9.19, 126.37 ppm; 5.13 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 5 + H ILE 56 OK 100 100 100 100 4.6-5.3 6059/11108=73...(16) HA ILE 7 + H ILE 56 OK 25 93 30 91 6.3-7.1 9332/4.5=64, 9306/4.0=28...(11) HA TYR 4 - H ILE 56 far 0 75 0 - 8.8-9.3 HA LEU 3 - H ILE 56 far 0 96 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 9318 from nnoeabs.peaks (1.34, 9.19, 126.37 ppm; 5.64 A): 2 out of 8 assignments used, quality = 1.00: QB ALA 67 + H ILE 56 OK 100 100 100 100 5.2-6.1 9528/4.0=91...(13) HG12 ILE 8 + H ILE 56 OK 33 92 40 89 6.8-8.6 8312/4.0=38, 9329/3.8=29...(12) HG3 LYS 68 - H ILE 56 far 0 100 0 - 7.3-10.0 QB ALA 89 - H ILE 56 far 0 100 0 - 7.5-8.5 HB2 LYS 82 - H ILE 56 far 0 100 0 - 8.4-10.0 HB3 ARG 30 - H ILE 56 far 0 81 0 - 9.0-10.9 HB2 LEU 70 - H ILE 56 far 0 84 0 - 9.9-11.1 HB3 LEU 27 - H ILE 56 far 0 100 0 - 10.0-10.7 Violated in 8 structures by 0.03 A. Peak 9319 from nnoeabs.peaks (3.67, 9.19, 126.37 ppm; 5.62 A): 1 out of 2 assignments used, quality = 0.99: HB THR 80 + H ILE 56 OK 99 99 100 100 5.0-5.8 9702=99, 2.1/10914=97...(11) HA LEU 42 - H ILE 56 far 0 70 0 - 9.4-10.8 Violated in 6 structures by 0.03 A. Peak 9331 from nnoeabs.peaks (8.78, 8.93, 126.55 ppm; 4.21 A): 2 out of 4 assignments used, quality = 1.00: H ILE 8 + H LEU 57 OK 98 98 100 100 3.4-4.1 8292=94, 6087/9332=71...(20) H ARG 81 + H LEU 57 OK 83 84 100 99 4.6-5.0 11122/3.0=56...(21) H SER 59 - H LEU 57 far 0 98 0 - 7.2-7.4 H ALA 22 - H LEU 57 far 0 75 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 9332 from nnoeabs.peaks (5.13, 8.93, 126.55 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: HA ILE 7 + H LEU 57 OK 100 100 100 100 2.1-2.7 8239=77, 6087/8292=45...(24) HA VAL 5 - H LEU 57 far 0 90 0 - 5.4-6.2 HA VAL 54 - H LEU 57 far 0 75 0 - 8.0-9.0 HA TYR 4 - H LEU 57 far 0 96 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 9333 from nnoeabs.peaks (9.33, 8.93, 126.55 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.98: H LEU 6 + H LEU 57 OK 98 98 100 100 3.3-4.2 8216/6930=70...(27) H LYS 33 - H LEU 57 far 0 88 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9348 from nnoeabs.peaks (0.99, 8.93, 126.55 ppm; 4.35 A): 4 out of 5 assignments used, quality = 1.00: QG2 THR 80 + H LEU 57 OK 88 99 90 100 4.7-5.9 9734/2576=66...(15) HG LEU 55 + H LEU 57 OK 80 82 100 97 3.9-4.8 2.1/9349=52, 2536/4.5=25...(20) QG2 VAL 83 + H LEU 57 OK 78 81 100 96 4.5-5.0 9783/3.0=40, ~9797=36...(15) QG1 VAL 83 + H LEU 57 OK 23 93 25 98 5.4-6.3 9809/3.9=52, 9797/3.0=49...(14) HB3 LEU 55 - H LEU 57 far 3 65 5 - 5.7-7.2 Violated in 0 structures by 0.00 A. Peak 9349 from nnoeabs.peaks (0.44, 8.93, 126.55 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + H LEU 57 OK 99 99 100 100 4.9-5.9 2544/4.5=76...(20) HG2 ARG 81 - H LEU 57 far 5 96 5 - 6.7-8.5 Violated in 7 structures by 0.10 A. Peak 9366 from nnoeabs.peaks (0.99, 8.54, 114.40 ppm; 3.92 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + H VAL 58 OK 89 90 100 100 2.8-3.5 9788=67, 3748/9771=46...(19) QG1 VAL 83 + H VAL 58 OK 85 85 100 99 4.0-4.5 2.1/9788=62, 4.0/9771=46...(17) QG2 THR 80 + H VAL 58 OK 79 100 85 93 3.7-5.9 3573/10926=48...(16) HG LEU 55 - H VAL 58 far 0 91 0 - 6.4-6.8 QG2 VAL 5 - H VAL 58 far 0 59 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 9371 from nnoeabs.peaks (1.37, 8.54, 114.40 ppm; 4.86 A): 4 out of 6 assignments used, quality = 1.00: HG12 ILE 8 + H VAL 58 OK 90 100 90 100 4.5-6.6 8304/3.0=52...(18) HB2 LYS 82 + H VAL 58 OK 86 87 100 99 4.5-5.4 3.0/9372=84, 4.6/9771=59...(14) QB ALA 89 + H VAL 58 OK 66 81 95 86 5.5-6.6 9931/9788=53...(10) QB ALA 67 + H VAL 58 OK 61 77 95 83 5.5-6.4 9378/4.0=23...(14) HG LEU 14 - H VAL 58 far 0 95 0 - 7.9-9.0 HG3 LYS 68 - H VAL 58 far 0 94 0 - 8.1-11.7 Violated in 0 structures by 0.00 A. Peak 9372 from nnoeabs.peaks (4.70, 8.54, 114.40 ppm; 3.73 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 82 + H VAL 58 OK 99 100 100 99 2.3-3.1 11123=66, 7343/9771=52...(17) HA LEU 55 - H VAL 58 far 0 84 0 - 8.2-8.5 HA ARG 79 - H VAL 58 far 0 96 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 9395 from nnoeabs.peaks (9.11, 8.54, 114.40 ppm; 3.99 A): 1 out of 2 assignments used, quality = 1.00: H VAL 83 + H VAL 58 OK 100 100 100 100 2.9-4.0 9771=100, 7343/9372=64...(18) H ARG 30 - H VAL 58 far 0 92 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9396 from nnoeabs.peaks (0.81, 8.80, 115.50 ppm; 4.48 A): 1 out of 8 assignments used, quality = 0.92: QG2 ILE 8 + H SER 59 OK 92 92 100 100 2.9-4.4 2.1/9400=77...(19) QG2 ILE 7 - H SER 59 far 0 99 0 - 6.2-6.9 QD2 LEU 38 - H SER 59 far 0 96 0 - 6.7-8.8 QD1 LEU 57 - H SER 59 far 0 91 0 - 6.7-7.5 QG2 VAL 32 - H SER 59 far 0 85 0 - 7.1-8.4 QD2 LEU 57 - H SER 59 far 0 99 0 - 7.5-7.9 QG2 ILE 15 - H SER 59 far 0 100 0 - 8.5-9.7 QD1 LEU 6 - H SER 59 far 0 65 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 9397 from nnoeabs.peaks (0.97, 8.80, 115.50 ppm; 5.72 A): 3 out of 3 assignments used, quality = 1.00: QG2 VAL 83 + H SER 59 OK 99 99 100 100 4.3-4.9 9784/3.0=78, 9788/4.7=72...(14) QG1 VAL 83 + H SER 59 OK 61 63 100 96 6.3-6.9 ~9784=57, ~10728=47...(8) QG2 THR 80 + H SER 59 OK 43 100 50 87 6.4-8.3 10223/4.2=47...(8) Violated in 0 structures by 0.00 A. Peak 9398 from nnoeabs.peaks (1.34, 8.80, 115.50 ppm; 6.50 A): 4 out of 5 assignments used, quality = 1.00: HB2 LYS 82 + H SER 59 OK 100 100 100 100 5.9-6.9 3.0/10724=86...(11) QB ALA 67 + H SER 59 OK 96 100 100 96 6.7-8.0 9384/4.2=49, 9378/4.2=35...(12) HG12 ILE 8 + H SER 59 OK 84 84 100 100 5.3-6.8 2.9/9400=99, 3.1/9396=97...(15) QB ALA 89 + H SER 59 OK 58 100 100 58 7.2-7.8 9931/9397=38...(4) HG LEU 14 - H SER 59 far 0 98 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 9399 from nnoeabs.peaks (1.78, 8.80, 115.50 ppm; 4.51 A): 1 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + H SER 59 OK 100 100 100 100 3.0-4.8 1.8/9401=79...(12) HB3 LYS 82 - H SER 59 far 0 98 0 - 6.6-7.5 HB ILE 56 - H SER 59 far 0 98 0 - 8.1-9.4 HB2 LYS 66 - H SER 59 far 0 99 0 - 8.7-10.1 HB2 GLU 88 - H SER 59 far 0 71 0 - 9.8-10.9 Violated in 1 structures by 0.01 A. Peak 9400 from nnoeabs.peaks (1.90, 8.80, 115.50 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.99: HB ILE 8 + H SER 59 OK 99 99 100 100 3.2-4.0 9374/6958=72...(16) HB VAL 32 - H SER 59 far 0 63 0 - 7.4-8.7 HB3 LEU 14 - H SER 59 far 0 100 0 - 7.9-9.3 HB2 LYS 33 - H SER 59 far 0 97 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 9401 from nnoeabs.peaks (2.19, 8.80, 115.50 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLU 63 + H SER 59 OK 100 100 100 100 3.8-4.9 1.8/9399=77...(10) Violated in 5 structures by 0.04 A. Peak 9402 from nnoeabs.peaks (3.93, 8.80, 115.50 ppm; 5.43 A): 2 out of 3 assignments used, quality = 1.00: HB3 SER 9 + H SER 59 OK 96 100 100 96 3.1-6.1 3.0/9403=63, 8349=49...(11) HA GLU 63 + H SER 59 OK 95 96 100 100 5.9-6.5 3.0/9401=85, 3.0/9399=84...(9) HA ALA 89 - H SER 59 far 0 79 0 - 9.3-9.9 Violated in 1 structures by 0.00 A. Peak 9403 from nnoeabs.peaks (4.43, 8.80, 115.50 ppm; 5.82 A): 1 out of 2 assignments used, quality = 0.96: HA SER 9 + H SER 59 OK 96 100 100 96 3.5-4.8 9405/6964=51, 8347=48...(8) HB THR 84 - H SER 59 far 10 99 10 - 7.0-9.4 Violated in 0 structures by 0.00 A. Peak 9410 from nnoeabs.peaks (2.59, 7.73, 117.52 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.99: HB VAL 58 + H ASN 60 OK 99 100 100 99 2.4-2.8 6959/6967=58...(21) Violated in 0 structures by 0.00 A. Peak 9411 from nnoeabs.peaks (2.53, 7.73, 117.52 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.98: HG3 GLU 63 + H ASN 60 OK 98 98 100 100 1.9-4.8 3.0/9413=76, 1.8/9412=76...(13) HB2 ASP 61 - H ASN 60 far 0 94 0 - 6.3-7.2 Violated in 2 structures by 0.03 A. Peak 9412 from nnoeabs.peaks (2.29, 7.73, 117.52 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.99: HG2 GLU 63 + H ASN 60 OK 99 99 100 100 2.6-4.0 1.8/9411=80, 3.0/9413=78...(16) HG2 GLU 62 - H ASN 60 far 13 88 15 - 4.7-6.5 HG3 GLU 62 - H ASN 60 far 9 88 10 - 5.7-7.7 HD3 ARG 81 - H ASN 60 far 0 90 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 9413 from nnoeabs.peaks (2.19, 7.73, 117.52 ppm; 3.66 A): 1 out of 1 assignment used, quality = 0.99: HB2 GLU 63 + H ASN 60 OK 99 100 100 99 4.0-5.1 1.8/9414=64, 3.0/9411=43...(13) Violated in 20 structures by 0.88 A. Peak 9414 from nnoeabs.peaks (1.78, 7.73, 117.52 ppm; 3.98 A): 1 out of 4 assignments used, quality = 1.00: HB3 GLU 63 + H ASN 60 OK 100 100 100 100 2.6-4.9 1.8/9413=83, 3.0/9411=51...(20) HB3 LYS 82 - H ASN 60 far 0 96 0 - 5.7-6.5 HB2 LYS 66 - H ASN 60 far 0 97 0 - 8.1-9.8 HB ILE 56 - H ASN 60 far 0 95 0 - 8.6-9.9 Violated in 1 structures by 0.05 A. Peak 9415 from nnoeabs.peaks (1.50, 7.73, 117.52 ppm; 4.74 A): 1 out of 5 assignments used, quality = 0.97: HB3 LEU 64 + H ASN 60 OK 97 98 100 98 4.4-5.6 10747/9414=56...(18) HG LEU 64 - H ASN 60 far 0 90 0 - 7.1-7.6 HG2 LYS 66 - H ASN 60 far 0 99 0 - 7.2-10.1 HG3 LYS 66 - H ASN 60 far 0 99 0 - 8.1-10.9 HB2 LEU 14 - H ASN 60 far 0 92 0 - 9.9-11.4 Violated in 15 structures by 0.31 A. Peak 9416 from nnoeabs.peaks (1.34, 7.73, 117.52 ppm; 5.34 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 82 + H ASN 60 OK 100 100 100 100 4.9-6.0 2.9/9417=81, 3.0/9421=74...(20) HG12 ILE 8 + H ASN 60 OK 26 88 30 98 6.6-8.2 3.1/9419=70...(9) QB ALA 67 - H ASN 60 far 0 100 0 - 7.0-8.3 QB ALA 89 - H ASN 60 far 0 100 0 - 8.4-9.1 HG LEU 14 - H ASN 60 far 0 99 0 - 9.9-11.0 Violated in 15 structures by 0.13 A. Peak 9417 from nnoeabs.peaks (1.15, 7.73, 117.52 ppm; 4.64 A): 1 out of 2 assignments used, quality = 0.99: HG3 LYS 82 + H ASN 60 OK 99 99 100 100 3.2-4.8 1.8/9418=60...(17) QG2 THR 31 - H ASN 60 far 0 100 0 - 9.1-10.7 Violated in 1 structures by 0.01 A. Peak 9418 from nnoeabs.peaks (1.06, 7.73, 117.52 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: HG2 LYS 82 + H ASN 60 OK 100 100 100 100 3.0-3.8 1.8/9417=95...(21) HB3 ARG 81 - H ASN 60 far 0 100 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 9419 from nnoeabs.peaks (0.81, 7.73, 117.52 ppm; 5.17 A): 1 out of 6 assignments used, quality = 0.88: QG2 ILE 8 + H ASN 60 OK 88 88 100 100 3.8-5.4 9396/6967=78...(13) QD2 LEU 38 - H ASN 60 far 0 98 0 - 7.2-9.5 QD1 LEU 57 - H ASN 60 far 0 94 0 - 7.5-8.3 QG2 ILE 7 - H ASN 60 far 0 99 0 - 7.9-8.5 QG2 VAL 32 - H ASN 60 far 0 90 0 - 8.2-9.5 QD2 LEU 57 - H ASN 60 far 0 97 0 - 8.2-9.0 Violated in 2 structures by 0.02 A. Peak 9420 from nnoeabs.peaks (0.70, 7.73, 117.52 ppm; 3.25 A): 2 out of 6 assignments used, quality = 0.98: QG1 VAL 58 + H ASN 60 OK 90 92 100 98 4.1-4.2 2.1/9410=55, 3.2/9422=35...(24) QG2 VAL 58 + H ASN 60 OK 84 85 100 99 1.9-2.7 2.1/9410=55, 3.2/9422=35...(27) QD1 ILE 8 - H ASN 60 far 0 99 0 - 5.2-6.2 QD2 LEU 14 - H ASN 60 far 0 99 0 - 6.3-7.7 QD1 LEU 14 - H ASN 60 far 0 88 0 - 6.9-7.7 QD1 ILE 56 - H ASN 60 far 0 100 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 9421 from nnoeabs.peaks (4.71, 7.73, 117.52 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 82 + H ASN 60 OK 100 100 100 100 4.3-5.1 10723/3.6=67...(12) Violated in 1 structures by 0.00 A. Peak 9422 from nnoeabs.peaks (5.26, 7.73, 117.52 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 58 + H ASN 60 OK 100 100 100 100 4.2-4.3 6958/6967=73...(13) Violated in 20 structures by 0.08 A. Peak 9425 from nnoeabs.peaks (2.52, 6.87, 113.68 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HD21 ASN 60 OK 100 100 100 100 1.9-3.5 1.8/9426=70, 9430/1.7=65...(13) HB2 ASP 61 - HD21 ASN 60 far 0 100 0 - 7.3-8.7 Violated in 0 structures by 0.00 A. Peak 9426 from nnoeabs.peaks (2.30, 6.87, 113.68 ppm; 4.75 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLU 63 + HD21 ASN 60 OK 99 99 100 100 2.6-4.3 1.8/9425=86...(14) Violated in 0 structures by 0.00 A. Peak 9427 from nnoeabs.peaks (2.23, 6.87, 113.68 ppm; 5.25 A): 2 out of 3 assignments used, quality = 0.90: HB2 GLU 63 + HD21 ASN 60 OK 79 79 100 100 4.2-5.9 3.0/9425=82, 3.0/9426=77...(9) HG2 GLU 62 + HD21 ASN 60 OK 53 63 95 87 4.5-6.9 2.9/9429=68, 9432/1.7=37...(6) HG3 GLU 62 - HD21 ASN 60 poor 13 63 20 - 5.4-8.6 Violated in 7 structures by 0.06 A. Peak 9428 from nnoeabs.peaks (2.11, 6.87, 113.68 ppm; 5.36 A): 0 out of 3 assignments used, quality = 0.00: HB3 GLU 62 - HD21 ASN 60 poor 18 88 20 - 5.8-8.4 HB2 LEU 64 - HD21 ASN 60 far 5 100 5 - 6.3-8.0 HB VAL 83 - HD21 ASN 60 far 0 100 0 - 9.2-11.6 Violated in 20 structures by 1.04 A. Peak 9429 from nnoeabs.peaks (2.00, 6.87, 113.68 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.67: HB2 GLU 62 + HD21 ASN 60 OK 67 94 90 79 4.6-7.6 7006/9439=34...(6) Violated in 17 structures by 0.69 A. Peak 9430 from nnoeabs.peaks (2.52, 7.37, 113.68 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HD22 ASN 60 OK 100 100 100 100 3.2-5.0 9425/1.7=90, 1.8/9431=65...(12) HB2 ASP 61 - HD22 ASN 60 far 0 98 0 - 7.6-9.6 Violated in 4 structures by 0.00 A. Peak 9431 from nnoeabs.peaks (2.30, 7.37, 113.68 ppm; 5.55 A): 1 out of 1 assignment used, quality = 0.99: HG2 GLU 63 + HD22 ASN 60 OK 99 99 100 100 4.1-5.5 9426/1.7=96, 1.8/9430=93...(12) Violated in 0 structures by 0.00 A. Peak 9432 from nnoeabs.peaks (2.23, 7.37, 113.68 ppm; 5.87 A): 2 out of 3 assignments used, quality = 0.78: HG2 GLU 62 + HD22 ASN 60 OK 59 75 90 87 5.4-7.7 ~9429=63, 9427/1.7=37...(5) HB2 GLU 63 + HD22 ASN 60 OK 47 68 70 100 5.6-7.5 3.0/9430=86, 3.0/9431=77...(10) HG3 GLU 62 - HD22 ASN 60 far 8 75 10 - 6.5-9.3 Violated in 14 structures by 0.32 A. Peak 9433 from nnoeabs.peaks (4.16, 7.37, 113.68 ppm; 6.25 A): 1 out of 2 assignments used, quality = 0.98: HB2 SER 59 + HD22 ASN 60 OK 98 100 100 98 2.9-5.1 9434/1.7=89...(4) HA GLU 62 - HD22 ASN 60 far 0 68 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9434 from nnoeabs.peaks (4.15, 6.87, 113.68 ppm; 5.99 A): 1 out of 2 assignments used, quality = 0.93: HB2 SER 59 + HD21 ASN 60 OK 93 99 100 94 2.6-5.3 9433/1.7=78...(4) HA GLU 62 - HD21 ASN 60 poor 20 79 25 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 9435 from nnoeabs.peaks (8.40, 7.73, 117.52 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: H GLU 62 + H ASN 60 OK 99 100 100 99 4.7-5.4 9454/4.0=52, 9453/4.0=49...(17) H GLU 63 + H ASN 60 OK 94 94 100 100 3.8-4.3 2772/9413=61...(19) Violated in 0 structures by 0.00 A. Peak 9436 from nnoeabs.peaks (9.13, 7.73, 117.52 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.93: H VAL 83 + H ASN 60 OK 93 93 100 100 4.4-5.0 10721/3.6=85...(13) Violated in 0 structures by 0.00 A. Peak 9439 from nnoeabs.peaks (8.40, 6.87, 113.68 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: H GLU 62 + HD21 ASN 60 OK 99 100 100 99 5.0-6.2 9454/3.5=68, 9453/3.5=64...(9) H GLU 63 + HD21 ASN 60 OK 93 94 100 99 4.0-5.4 2793/9425=60...(11) Violated in 6 structures by 0.05 A. Peak 9440 from nnoeabs.peaks (8.40, 7.37, 113.68 ppm; 5.03 A): 2 out of 2 assignments used, quality = 0.97: H GLU 63 + HD22 ASN 60 OK 91 98 95 97 5.5-6.5 7023/9430=61...(8) H GLU 62 + HD22 ASN 60 OK 73 99 75 98 6.2-6.8 9454/3.5=74, 9453/3.5=70...(6) Violated in 20 structures by 0.55 A. Peak 9442 from nnoeabs.peaks (2.09, 8.58, 119.43 ppm; 5.64 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 62 + H ASP 61 OK 98 100 100 98 4.4-6.1 7007/7001=95, ~10743=35...(5) HB2 LEU 64 + H ASP 61 OK 93 93 100 100 4.7-5.3 9449/3.0=92, ~9447=53...(19) Violated in 0 structures by 0.00 A. Peak 9443 from nnoeabs.peaks (1.56, 8.58, 119.43 ppm; 5.06 A): 1 out of 2 assignments used, quality = 1.00: HD3 LYS 82 + H ASP 61 OK 100 100 100 100 2.5-3.9 10938/6991=80...(18) HD2 LYS 66 - H ASP 61 far 0 61 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 9444 from nnoeabs.peaks (1.48, 8.58, 119.43 ppm; 5.11 A): 2 out of 5 assignments used, quality = 0.96: HD2 LYS 82 + H ASP 61 OK 85 85 100 100 3.7-5.6 1.8/9443=82, 9766/3.0=59...(17) HB3 LEU 64 + H ASP 61 OK 70 100 70 100 5.5-6.8 ~9449=69, 9415/4.6=48...(20) HG LEU 64 - H ASP 61 far 0 100 0 - 7.1-7.9 HG2 LYS 66 - H ASP 61 far 0 100 0 - 7.9-10.5 HG3 LYS 66 - H ASP 61 far 0 99 0 - 8.5-11.6 Violated in 2 structures by 0.01 A. Peak 9453 from nnoeabs.peaks (2.90, 8.40, 122.15 ppm; 4.45 A): 1 out of 5 assignments used, quality = 0.99: HB2 ASN 60 + H GLU 62 OK 99 100 100 99 2.8-4.1 1.8/9454=84...(12) HE2 LYS 66 - H GLU 62 far 0 100 0 - 6.9-10.5 HE3 LYS 66 - H GLU 62 far 0 100 0 - 7.0-10.4 HE2 LYS 68 - H GLU 62 far 0 99 0 - 8.9-12.7 HE3 LYS 68 - H GLU 62 far 0 99 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 9454 from nnoeabs.peaks (3.06, 8.40, 122.15 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.98: HB3 ASN 60 + H GLU 62 OK 98 100 100 98 2.4-2.9 1.8/9453=70...(9) Violated in 0 structures by 0.00 A. Peak 9455 from nnoeabs.peaks (2.90, 8.38, 119.08 ppm; 5.54 A): 1 out of 5 assignments used, quality = 1.00: HB2 ASN 60 + H GLU 63 OK 100 100 100 100 2.4-3.0 9453/4.5=68...(13) HE3 LYS 66 - H GLU 63 poor 17 100 25 68 6.3-9.0 12318/2.9=26, ~9509=21...(7) HE2 LYS 66 - H GLU 63 poor 17 100 25 67 6.4-9.2 ~9509=21, ~12318=20...(7) HE2 LYS 68 - H GLU 63 far 0 99 0 - 8.8-12.4 HE3 LYS 68 - H GLU 63 far 0 99 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 9456 from nnoeabs.peaks (4.36, 8.38, 119.08 ppm; 5.44 A): 1 out of 4 assignments used, quality = 0.99: HA ASP 61 + H GLU 63 OK 99 100 100 100 4.2-5.0 9470/4.6=72...(15) HA SER 102 - H TYR 4 far 0 47 0 - 7.7-12.7 HA ASN 26 - H TYR 4 far 0 58 0 - 9.6-10.6 HA ARG 81 - H GLU 63 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 9457 from nnoeabs.peaks (0.71, 8.38, 119.08 ppm; 4.32 A): 5 out of 18 assignments used, quality = 1.00: QG1 VAL 58 + H GLU 63 OK 98 99 100 100 4.2-4.5 9381/7020=55...(23) QD1 ILE 8 + H GLU 63 OK 84 100 95 89 4.8-6.2 8308/2772=46...(14) QG2 VAL 58 + H GLU 63 OK 68 70 100 98 3.6-4.1 10220/7020=33...(22) QD2 LEU 27 + H TYR 4 OK 47 48 100 97 3.6-4.8 10132/4.4=51...(18) QD1 ILE 52 + H TYR 4 OK 27 53 70 72 4.6-6.5 9148/4.5=24...(10) QD2 LEU 6 - H TYR 4 far 2 46 5 - 5.8-7.3 QG1 VAL 5 - H TYR 4 far 0 51 0 - 6.0-6.2 QD1 ILE 56 - H TYR 4 far 0 58 0 - 6.0-8.5 QD1 LEU 64 - H GLU 63 far 0 73 0 - 6.4-6.7 QG1 VAL 78 - H TYR 4 far 0 31 0 - 6.4-6.9 QG2 VAL 78 - H TYR 4 far 0 55 0 - 7.6-8.5 HG13 ILE 56 - H TYR 4 far 0 58 0 - 7.8-10.0 QD1 ILE 56 - H GLU 63 far 0 100 0 - 8.0-10.6 HG13 ILE 93 - H TYR 4 far 0 34 0 - 8.1-9.8 QD1 LEU 42 - H TYR 4 far 0 48 0 - 9.1-10.5 QD2 LEU 14 - H GLU 63 far 0 100 0 - 9.2-10.4 QD1 LEU 14 - H GLU 63 far 0 73 0 - 9.9-10.9 HG13 ILE 56 - H GLU 63 far 0 100 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 9458 from nnoeabs.peaks (1.49, 8.38, 119.08 ppm; 4.81 A): 5 out of 17 assignments used, quality = 1.00: HB3 LEU 64 + H GLU 63 OK 99 100 100 99 5.2-6.0 10747/7021=59...(13) HG2 LYS 66 + H GLU 63 OK 87 100 90 97 3.9-6.5 9459/2.9=38, ~2771=29...(21) HG3 LYS 66 + H GLU 63 OK 82 100 85 96 4.4-7.6 9459/2.9=37, ~2771=29...(19) HG3 LYS 53 + H TYR 4 OK 37 44 100 84 5.2-6.2 5.0/11098=43...(12) HG2 LYS 53 + H TYR 4 OK 33 38 100 86 4.9-6.1 5.0/11098=43...(13) HB2 LEU 27 - H TYR 4 poor 19 31 60 - 5.3-7.1 HG LEU 2 - H TYR 4 poor 18 47 55 69 5.1-8.3 75/4.6=33, 10358/4.5=14...(11) HG LEU 64 - H GLU 63 far 15 98 15 - 6.2-7.0 HD2 LYS 82 - H GLU 63 poor 14 70 30 66 5.4-8.3 9766/9456=25...(11) HD2 LYS 53 - H TYR 4 poor 13 34 40 - 5.8-6.9 HG13 ILE 52 - H TYR 4 poor 13 31 75 56 4.3-8.1 9146/4.5=15...(11) HG LEU 6 - H TYR 4 far 0 36 0 - 6.4-9.7 HG LEU 38 - H GLU 63 far 0 70 0 - 7.2-10.7 HG12 ILE 56 - H TYR 4 far 0 29 0 - 7.8-9.8 HG3 ARG 30 - H TYR 4 far 0 30 0 - 8.4-10.9 HB2 LEU 38 - H GLU 63 far 0 61 0 - 8.8-11.1 HG12 ILE 56 - H GLU 63 far 0 61 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 9467 from nnoeabs.peaks (0.69, 7.72, 120.36 ppm; 3.42 A): 3 out of 15 assignments used, quality = 1.00: QG2 VAL 58 + H LEU 64 OK 98 99 100 99 1.8-2.2 9392=50, 9388/3.0=50...(27) QG1 VAL 58 + H LEU 64 OK 65 68 100 96 2.7-3.3 2.1/9392=34, 9385/3.0=28...(24) QD1 ILE 8 + H LEU 64 OK 43 87 75 66 4.3-5.2 8308/4.6=18, 9475/3.0=13...(15) QD1 ILE 8 - H GLU 37 far 0 32 0 - 6.6-8.0 QD1 LEU 42 - H GLU 37 far 0 42 0 - 6.6-7.8 QD1 ILE 56 - H LEU 64 far 0 90 0 - 6.8-9.1 QD2 LEU 6 - H GLU 37 far 0 43 0 - 7.2-10.1 QD1 ILE 56 - H GLU 37 far 0 34 0 - 7.4-11.6 HG13 ILE 56 - H LEU 64 far 0 79 0 - 8.1-10.0 QD2 LEU 14 - H LEU 64 far 0 88 0 - 8.9-10.0 QG2 VAL 78 - H LEU 64 far 0 65 0 - 9.0-9.6 QG1 VAL 58 - H GLU 37 far 0 23 0 - 9.1-10.1 QD1 LEU 14 - H LEU 64 far 0 99 0 - 9.2-10.3 QD1 LEU 42 - H LEU 64 far 0 100 0 - 9.2-10.5 QD2 LEU 6 - H LEU 64 far 0 100 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 9468 from nnoeabs.peaks (0.98, 7.72, 120.36 ppm; 5.36 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 80 + H LEU 64 OK 100 100 100 100 4.3-5.6 9476/3.0=92...(13) QG2 VAL 83 - H LEU 64 far 0 95 0 - 7.0-7.9 QG1 VAL 83 - H LEU 64 far 0 77 0 - 8.1-8.8 QG2 THR 80 - H GLU 37 far 0 43 0 - 9.9-11.2 Violated in 3 structures by 0.02 A. Peak 9469 from nnoeabs.peaks (1.35, 7.72, 120.36 ppm; 4.60 A): 3 out of 11 assignments used, quality = 1.00: HB2 LYS 82 + H LEU 64 OK 97 98 100 99 4.2-5.9 10252/4.5=57...(20) QB ALA 67 + H LEU 64 OK 92 93 100 99 4.8-5.8 2981/3.0=73...(15) HG2 LYS 39 + H GLU 37 OK 23 40 70 81 4.7-8.0 1702/6594=35...(10) HG12 ILE 8 - H LEU 64 far 0 100 0 - 6.5-8.0 HG3 LYS 40 - H GLU 37 far 0 42 0 - 6.7-8.1 QB ALA 67 - H GLU 37 far 0 36 0 - 7.0-7.9 HG3 LYS 68 - H LEU 64 far 0 100 0 - 7.0-9.4 HB2 LEU 70 - H GLU 37 far 0 39 0 - 8.0-8.9 HG12 ILE 8 - H GLU 37 far 0 42 0 - 8.2-10.1 HB3 ARG 30 - H GLU 37 far 0 38 0 - 9.6-11.2 HB2 LEU 70 - H LEU 64 far 0 98 0 - 9.9-11.3 Violated in 3 structures by 0.01 A. Peak 9470 from nnoeabs.peaks (4.36, 7.72, 120.36 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 61 + H LEU 64 OK 99 100 100 99 3.4-3.9 9449/3.9=51, 9441=50...(22) HA ARG 81 - H LEU 64 far 0 100 0 - 7.2-8.0 Violated in 1 structures by 0.00 A. Peak 9489 from nnoeabs.peaks (0.70, 7.92, 118.10 ppm; 4.21 A): 2 out of 7 assignments used, quality = 0.98: QG1 VAL 58 + H ASP 65 OK 91 93 100 98 4.4-4.9 9385/3.6=56, 2.1/9393=42...(24) QG2 VAL 58 + H ASP 65 OK 82 84 100 98 4.0-4.3 9388/3.6=49...(19) QD1 ILE 8 - H ASP 65 poor 19 99 25 75 5.4-6.8 328/7057=16...(16) QD1 ILE 56 - H ASP 65 far 0 100 0 - 7.5-9.6 HG13 ILE 56 - H ASP 65 far 0 98 0 - 8.2-10.8 QG2 VAL 78 - H ASP 65 far 0 92 0 - 8.4-9.0 QD1 LEU 42 - H ASP 65 far 0 98 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 9490 from nnoeabs.peaks (1.36, 7.92, 118.10 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.93: QB ALA 67 + H ASP 65 OK 89 90 100 100 5.1-5.6 2.9/7058=73, 2981/3.6=66...(23) HB2 LYS 82 + H ASP 65 OK 37 96 40 98 4.9-6.9 10252/7052=71...(11) HG3 LYS 68 - H ASP 65 far 15 99 15 - 5.2-7.3 HG12 ILE 8 - H ASP 65 far 0 100 0 - 8.3-10.1 HB2 LEU 70 - H ASP 65 far 0 99 0 - 8.9-10.1 Violated in 15 structures by 0.21 A. Peak 9491 from nnoeabs.peaks (1.65, 7.92, 118.10 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.96: HD3 LYS 68 + H ASP 65 OK 75 100 75 100 4.9-7.9 10242/7052=49...(30) HG2 LYS 68 + H ASP 65 OK 70 100 70 100 4.8-7.2 12320/7052=60...(26) HD2 LYS 68 + H ASP 65 OK 45 100 45 99 5.7-8.2 5.9/10773=37...(28) Violated in 7 structures by 0.14 A. Peak 9492 from nnoeabs.peaks (1.88, 7.92, 118.10 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 68 + H ASP 65 OK 98 98 100 100 4.2-4.7 3009/3.0=51...(34) HB3 LYS 66 + H ASP 65 OK 88 90 100 98 4.3-5.3 2897/7057=65...(16) HB ILE 8 - H ASP 65 far 0 98 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 9505 from nnoeabs.peaks (1.33, 7.80, 119.34 ppm; 4.04 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 67 + H LYS 66 OK 99 100 100 99 4.4-4.6 2.9/7077=77...(19) HG3 LYS 68 - H LYS 66 far 0 97 0 - 6.3-7.4 HB2 LEU 70 - H LYS 66 far 0 70 0 - 6.9-8.3 HB2 LYS 82 - H LYS 66 far 0 99 0 - 7.5-9.1 HG12 ILE 8 - H LYS 66 far 0 81 0 - 7.8-9.6 Violated in 20 structures by 0.48 A. Peak 9506 from nnoeabs.peaks (0.82, 7.80, 119.34 ppm; 4.86 A): 3 out of 6 assignments used, quality = 0.96: QD2 LEU 38 + H LYS 66 OK 77 100 85 91 4.4-7.4 9517/4.8=36, 9517/4.8=24...(16) QD2 LEU 70 + H LYS 66 OK 70 97 80 90 5.6-6.6 10782/7074=22, ~3831=20...(19) QD1 LEU 70 + H LYS 66 OK 40 100 45 90 5.6-7.0 10782/7074=21, ~3831=20...(18) QG2 ILE 8 - H LYS 66 poor 19 68 40 70 5.8-6.7 10745/7061=38...(8) QD1 LEU 38 - H LYS 66 poor 13 59 45 48 5.6-7.4 9526/9505=14...(9) QG2 VAL 32 - H LYS 66 far 0 99 0 - 7.7-9.3 Violated in 9 structures by 0.12 A. Peak 9507 from nnoeabs.peaks (0.72, 7.80, 119.34 ppm; 4.86 A): 3 out of 9 assignments used, quality = 1.00: QG1 VAL 58 + H LYS 66 OK 98 100 100 98 4.5-5.3 9385/7063=55...(18) QD1 LEU 64 + H LYS 66 OK 94 96 100 98 5.6-6.1 4.9/7057=62, 4.5/7062=59...(12) QD1 ILE 8 + H LYS 66 OK 77 96 95 85 4.7-6.6 9520/7077=27, 328=26...(14) QD1 ILE 56 - H LYS 66 far 0 94 0 - 7.3-9.3 QD1 LEU 42 - H LYS 66 far 0 63 0 - 7.5-8.9 HG13 ILE 56 - H LYS 66 far 0 99 0 - 7.9-10.5 QG2 VAL 78 - H LYS 66 far 0 100 0 - 8.0-9.0 QD2 LEU 6 - H LYS 66 far 0 59 0 - 9.4-12.4 QG1 VAL 78 - H LYS 66 far 0 92 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9518 from nnoeabs.peaks (0.98, 8.48, 121.56 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 80 + H ALA 67 OK 100 100 100 100 3.4-4.0 9529/7103=84...(22) QG2 VAL 83 - H ALA 67 far 0 95 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9519 from nnoeabs.peaks (0.84, 8.48, 121.56 ppm; 4.76 A): 5 out of 11 assignments used, quality = 1.00: QD2 LEU 38 + H ALA 67 OK 92 96 100 95 2.5-4.9 9526/2.9=27...(36) QD1 LEU 70 + H ALA 67 OK 87 90 100 97 4.0-5.7 2.1/7091=39, 9524/3.0=23...(27) QD1 LEU 38 + H ALA 67 OK 81 88 100 92 3.7-5.0 1659/3.0=19, ~9526=18...(29) QD2 LEU 70 + H ALA 67 OK 75 77 100 97 4.3-6.0 2.1/7091=39, 9541/3.0=24...(27) QG2 VAL 32 + H ALA 67 OK 44 100 60 74 5.6-7.0 ~10336=22, 9526/2.9=21...(11) QD2 LEU 64 - H ALA 67 poor 17 85 20 - 5.8-6.9 QD1 LEU 103 - H ALA 67 far 0 82 0 - 8.9-21.1 QD1 LEU 57 - H ALA 67 far 0 99 0 - 9.2-10.3 QG2 ILE 7 - H ALA 67 far 0 59 0 - 9.5-10.6 QD1 ILE 76 - H ALA 67 far 0 63 0 - 9.5-10.5 QD2 LEU 103 - H ALA 67 far 0 99 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 9520 from nnoeabs.peaks (0.72, 8.48, 121.56 ppm; 4.25 A): 4 out of 9 assignments used, quality = 1.00: QG1 VAL 58 + H ALA 67 OK 97 100 100 97 3.8-4.5 9385/7081=49...(27) QD1 ILE 8 + H ALA 67 OK 93 100 100 94 3.2-5.0 10681/2.9=27...(27) HG13 ILE 56 + H ALA 67 OK 25 100 25 98 5.3-8.0 10677/2.9=70...(17) QD1 LEU 64 + H ALA 67 OK 24 85 30 96 5.4-6.2 4.0/7081=46, 4.9/7058=38...(16) QD1 ILE 56 - H ALA 67 poor 20 99 20 - 5.2-7.1 QD1 LEU 42 - H ALA 67 poor 15 81 30 60 5.3-6.7 ~1930=12, ~1946=11...(14) QG2 VAL 78 - H ALA 67 far 0 100 0 - 6.4-7.3 QD2 LEU 6 - H ALA 67 far 0 77 0 - 7.0-10.1 QG1 VAL 78 - H ALA 67 far 0 79 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 9521 from nnoeabs.peaks (0.61, 8.48, 121.56 ppm; 6.05 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 56 + H ALA 67 OK 97 97 100 100 4.1-5.0 9734/9518=77...(25) Violated in 0 structures by 0.00 A. Peak 9522 from nnoeabs.peaks (2.13, 8.48, 121.56 ppm; 5.43 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLU 69 + H ALA 67 OK 97 100 100 97 5.2-6.2 4.0/7120=72, 3094/3.6=44...(15) HB2 LEU 64 + H ALA 67 OK 96 96 100 100 5.9-6.3 3.0/7081=84...(15) HG2 GLU 69 + H ALA 67 OK 83 100 85 98 5.2-7.5 3110/7120=79...(19) HB3 GLU 69 - H ALA 67 far 5 100 5 - 5.3-7.5 HB3 GLU 62 - H ALA 67 far 0 59 0 - 7.6-8.5 HB3 GLU 37 - H ALA 67 far 0 100 0 - 8.3-11.5 HG3 GLU 37 - H ALA 67 far 0 94 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 9523 from nnoeabs.peaks (2.71, 8.48, 121.56 ppm; 5.68 A): 1 out of 3 assignments used, quality = 0.99: HB2 ASP 65 + H ALA 67 OK 99 99 100 100 5.3-6.2 7066/7077=97...(16) HE2 LYS 82 - H ALA 67 far 0 73 0 - 8.4-12.3 HB3 ASP 61 - H ALA 67 far 0 84 0 - 9.5-10.5 Violated in 17 structures by 0.27 A. Peak 9529 from nnoeabs.peaks (0.98, 8.19, 116.17 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: QG2 THR 80 + H LYS 68 OK 100 100 100 100 2.1-3.3 9705=70, 10260/2.9=56...(26) QG2 VAL 83 - H LYS 68 far 0 95 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 9530 from nnoeabs.peaks (0.84, 8.19, 116.17 ppm; 4.67 A): 5 out of 9 assignments used, quality = 0.98: QD2 LEU 64 + H LYS 68 OK 69 93 75 99 5.1-6.3 4.0/7099=66...(13) QD2 LEU 70 + H LYS 68 OK 49 65 95 78 5.2-6.2 4.6/7116=50...(11) QD1 LEU 70 + H LYS 68 OK 47 81 75 79 5.0-6.5 4.6/7116=50...(9) QD2 LEU 38 + H LYS 68 OK 47 91 90 58 4.4-6.4 9526/2985=23...(7) QD1 LEU 38 + H LYS 68 OK 47 95 100 49 4.6-5.8 1659/3.6=19...(6) QD1 LEU 103 - H LYS 68 far 0 91 0 - 6.8-19.7 QG2 VAL 32 - H LYS 68 far 0 98 0 - 7.0-8.4 QD2 LEU 103 - H LYS 68 far 0 95 0 - 8.2-20.0 QD1 LEU 57 - H LYS 68 far 0 96 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 9531 from nnoeabs.peaks (0.73, 8.19, 116.17 ppm; 4.15 A): 5 out of 10 assignments used, quality = 1.00: QD1 LEU 64 + H LYS 68 OK 98 99 100 99 4.4-5.3 2843/7099=61...(19) QG1 VAL 58 + H LYS 68 OK 91 99 100 93 4.7-5.4 9385/7099=56...(11) QG2 VAL 78 + H LYS 68 OK 55 99 85 66 4.8-5.8 8509/2.9=18, ~9687=13...(14) QD1 ILE 8 + H LYS 68 OK 51 90 90 63 4.6-6.2 10681/2985=20...(9) HG13 ILE 56 + H LYS 68 OK 33 95 50 69 5.1-8.0 10677/3.6=54...(5) QD1 ILE 56 - H LYS 68 poor 14 87 30 52 4.5-7.0 10681/2985=22...(6) QD2 LEU 42 - H LYS 68 far 0 68 0 - 5.7-7.2 QG1 VAL 78 - H LYS 68 far 0 97 0 - 6.8-7.7 QD1 LEU 6 - H LYS 68 far 0 59 0 - 6.9-10.0 QG1 VAL 54 - H LYS 68 far 0 77 0 - 7.9-9.8 Violated in 0 structures by 0.00 A. Peak 9533 from nnoeabs.peaks (2.14, 8.19, 116.17 ppm; 4.23 A): 2 out of 6 assignments used, quality = 0.99: HB2 GLU 69 + H LYS 68 OK 94 98 100 97 4.5-5.3 4.0/7122=64...(15) HG2 GLU 69 + H LYS 68 OK 90 98 95 97 4.4-6.7 3110/7122=71...(15) HB3 GLU 69 - H LYS 68 far 5 98 5 - 4.6-6.4 HB2 LEU 64 - H LYS 68 far 4 82 5 - 5.7-6.5 HG2 GLU 104 - H LYS 68 far 0 99 0 - 8.5-20.7 HB2 GLN 72 - H LYS 68 far 0 87 0 - 8.9-9.2 Violated in 14 structures by 0.08 A. Peak 9534 from nnoeabs.peaks (0.97, 7.90, 119.49 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.98: QG2 THR 80 + H GLU 69 OK 98 98 100 100 4.1-5.6 9529/7122=90...(24) Violated in 0 structures by 0.00 A. Peak 9535 from nnoeabs.peaks (0.79, 7.90, 119.49 ppm; 4.69 A): 2 out of 10 assignments used, quality = 0.99: QD2 LEU 70 + H GLU 69 OK 96 98 100 98 4.0-5.0 3166/7137=70...(24) QD1 LEU 70 + H GLU 69 OK 86 91 100 95 3.8-6.0 4.6/7137=68, 3.1/7127=24...(19) QD2 LEU 38 - H GLU 69 poor 18 81 45 51 5.1-7.7 9524/7121=12...(13) QD2 LEU 42 - H GLU 69 far 0 81 0 - 6.7-8.1 QD1 LEU 6 - H GLU 69 far 0 87 0 - 8.4-11.6 QD2 LEU 103 - H GLU 69 far 0 73 0 - 8.5-20.7 QG2 ILE 8 - H GLU 69 far 0 99 0 - 8.5-9.5 QG2 VAL 32 - H GLU 69 far 0 63 0 - 8.7-9.9 QD1 ILE 76 - H GLU 69 far 0 100 0 - 8.9-9.6 QG1 VAL 54 - H GLU 69 far 0 71 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 9536 from nnoeabs.peaks (0.69, 7.90, 119.49 ppm; 5.62 A): 4 out of 8 assignments used, quality = 0.98: QD1 LEU 42 + H GLU 69 OK 91 100 100 92 5.7-6.6 10414/10805=62...(10) QG2 VAL 78 + H GLU 69 OK 57 79 100 72 5.4-6.5 9542/7137=28...(14) QD1 ILE 8 + H GLU 69 OK 34 95 60 60 6.4-8.3 8306/7121=20...(9) QG1 VAL 58 + H GLU 69 OK 22 81 40 69 6.7-7.6 10223/9534=25...(12) QD1 ILE 56 - H GLU 69 poor 14 96 30 47 6.1-8.5 10682/9534=20...(6) HG13 ILE 56 - H GLU 69 far 4 90 5 - 7.0-10.2 QG2 VAL 58 - H GLU 69 far 0 95 0 - 7.8-8.5 QD2 LEU 6 - H GLU 69 far 0 100 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 9537 from nnoeabs.peaks (1.50, 7.90, 119.49 ppm; 5.15 A): 3 out of 6 assignments used, quality = 0.93: HG2 LYS 66 + H GLU 69 OK 76 99 80 96 6.2-7.1 3.7/7119=80...(11) HG LEU 64 + H GLU 69 OK 60 92 90 72 5.7-6.8 9501/7118=30...(11) HG2 LYS 73 + H GLU 69 OK 25 99 35 71 6.1-7.9 10819/7137=43, ~9581=17...(7) HG3 LYS 66 - H GLU 69 far 15 100 15 - 5.7-7.4 HG12 ILE 56 - H GLU 69 far 0 75 0 - 7.2-9.5 HB3 LEU 64 - H GLU 69 far 0 99 0 - 7.9-8.7 Violated in 18 structures by 0.23 A. Peak 9538 from nnoeabs.peaks (2.66, 7.90, 119.49 ppm; 5.52 A): 1 out of 2 assignments used, quality = 0.95: HB3 ASP 65 + H GLU 69 OK 95 96 100 99 4.7-6.5 3.0/7118=86...(17) HG3 MET 74 - H GLU 69 far 0 70 0 - 8.3-10.3 Violated in 4 structures by 0.08 A. Peak 9542 from nnoeabs.peaks (0.70, 7.96, 119.43 ppm; 5.02 A): 2 out of 8 assignments used, quality = 0.99: QD1 LEU 42 + H LEU 70 OK 98 98 100 100 4.0-5.4 9543/3133=81...(15) QG2 VAL 78 + H LEU 70 OK 54 92 100 59 5.8-6.4 9550/7157=23...(9) QD1 ILE 56 - H LEU 70 far 5 100 5 - 6.5-8.3 QD1 ILE 8 - H LEU 70 far 0 99 0 - 6.9-8.6 HG13 ILE 56 - H LEU 70 far 0 98 0 - 7.2-10.2 QG1 VAL 58 - H LEU 70 far 0 93 0 - 7.8-8.6 QD2 LEU 6 - H LEU 70 far 0 96 0 - 8.6-11.4 QG2 VAL 58 - H LEU 70 far 0 84 0 - 9.3-9.8 Violated in 1 structures by 0.00 A. Peak 9550 from nnoeabs.peaks (0.72, 8.26, 119.60 ppm; 3.88 A): 4 out of 16 assignments used, quality = 1.00: QG2 VAL 78 + H ALA 71 OK 97 100 100 97 3.7-4.2 ~9685=35, ~10658=32...(23) QG1 VAL 78 + H ALA 71 OK 80 84 100 96 4.2-4.9 10290/7165=37, ~9685=35...(20) QD1 LEU 42 + H ALA 71 OK 73 75 100 97 2.5-3.3 9543/7159=46, 10414=38...(28) QD1 ILE 52 + H PHE 45 OK 51 54 100 94 4.0-4.6 9170/3.0=46, 9147/4.6=30...(16) QD1 ILE 56 - H ALA 71 far 15 98 15 - 4.8-6.7 HG13 ILE 56 - H ALA 71 far 0 100 0 - 5.5-8.3 QG1 VAL 78 - H PHE 45 far 0 53 0 - 5.7-7.1 QD2 LEU 6 - H PHE 45 far 0 43 0 - 6.2-7.3 QD1 LEU 42 - H PHE 45 far 0 46 0 - 6.2-6.6 QD1 ILE 8 - H ALA 71 far 0 99 0 - 6.8-8.3 QD2 LEU 6 - H ALA 71 far 0 71 0 - 7.2-9.7 QD1 ILE 56 - H PHE 45 far 0 67 0 - 7.3-9.6 QD1 LEU 64 - H ALA 71 far 0 90 0 - 7.8-8.9 QG1 VAL 58 - H ALA 71 far 0 100 0 - 7.9-8.7 QG2 VAL 78 - H PHE 45 far 0 71 0 - 7.9-9.6 QD1 ILE 52 - H ALA 71 far 0 85 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 9554 from nnoeabs.peaks (4.00, 7.91, 115.96 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 69 + H GLN 72 OK 96 99 100 97 3.5-4.1 3087=47, 9559/7173=30...(18) HA LEU 70 + H GLN 72 OK 91 95 100 96 3.8-4.3 3.6/7168=56...(14) HA GLU 75 - H GLN 72 far 0 100 0 - 5.5-6.6 Violated in 0 structures by 0.00 A. Peak 9555 from nnoeabs.peaks (1.94, 7.91, 115.96 ppm; 4.21 A): 1 out of 5 assignments used, quality = 0.89: HB2 LYS 73 + H GLN 72 OK 89 96 100 93 4.6-5.1 4.1/7196=62...(11) HB3 MET 74 - H GLN 72 far 5 91 5 - 5.1-7.0 HB3 LYS 73 - H GLN 72 far 0 96 0 - 6.0-6.3 HB2 ARG 46 - H GLN 72 far 0 71 0 - 8.8-12.4 HB3 ARG 46 - H GLN 72 far 0 94 0 - 9.0-12.1 Violated in 20 structures by 0.66 A. Peak 9556 from nnoeabs.peaks (1.63, 7.91, 115.96 ppm; 4.67 A): 3 out of 11 assignments used, quality = 0.88: HG3 LYS 73 + H GLN 72 OK 66 68 100 98 3.8-5.9 2.9/9555=74, 4.9/7196=59...(9) HG2 LYS 68 + H GLN 72 OK 46 99 55 84 5.2-8.1 4.0/2996=30, 1.8/3042=25...(13) HD2 LYS 73 + H GLN 72 OK 35 70 60 84 5.9-6.8 3.6/9555=65, 6.4/7196=37...(6) HB ILE 76 - H GLN 72 far 15 99 15 - 5.9-6.7 HD2 LYS 68 - H GLN 72 far 14 93 15 - 4.5-7.6 HD3 LYS 73 - H GLN 72 far 7 73 10 - 6.0-7.2 HD3 LYS 68 - H GLN 72 far 5 94 5 - 5.8-8.0 HD2 LYS 39 - H GLN 72 far 0 91 0 - 8.1-11.4 HD3 LYS 39 - H GLN 72 far 0 99 0 - 8.6-10.5 HB2 ARG 79 - H GLN 72 far 0 71 0 - 9.7-11.9 HB3 ARG 79 - H GLN 72 far 0 91 0 - 9.9-11.2 Violated in 10 structures by 0.08 A. Peak 9557 from nnoeabs.peaks (1.84, 7.91, 115.96 ppm; 4.51 A): 0 out of 6 assignments used, quality = 0.00: HB2 LYS 68 - H GLN 72 poor 20 100 20 - 5.7-7.0 HB3 LYS 68 - H GLN 72 far 0 82 0 - 6.4-7.0 HB3 LYS 39 - H GLN 72 far 0 94 0 - 6.7-8.9 HB2 LEU 42 - H GLN 72 far 0 63 0 - 7.0-7.9 HB3 LYS 66 - H GLN 72 far 0 95 0 - 9.2-10.2 HG2 ARG 46 - H GLN 72 far 0 93 0 - 9.4-12.0 Violated in 20 structures by 0.91 A. Peak 9558 from nnoeabs.peaks (0.72, 7.91, 115.96 ppm; 4.27 A): 3 out of 10 assignments used, quality = 0.98: QG2 VAL 78 + H GLN 72 OK 86 100 100 86 4.4-4.8 10292/7170=32...(13) QG1 VAL 78 + H GLN 72 OK 68 81 100 84 4.7-5.5 10290/7170=37...(10) QD1 LEU 42 + H GLN 72 OK 61 79 100 77 4.3-5.2 10414/7168=38...(9) QD1 ILE 56 - H GLN 72 far 0 99 0 - 6.4-8.7 HG13 ILE 56 - H GLN 72 far 0 100 0 - 7.5-10.6 QD1 LEU 64 - H GLN 72 far 0 87 0 - 8.2-9.8 QD1 ILE 8 - H GLN 72 far 0 99 0 - 8.9-10.5 QD2 LEU 6 - H GLN 72 far 0 75 0 - 9.3-11.8 QD1 ILE 52 - H GLN 72 far 0 88 0 - 9.6-12.0 QG1 VAL 58 - H GLN 72 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9570 from nnoeabs.peaks (4.00, 6.85, 111.53 ppm; 5.34 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 69 + HE21 GLN 72 OK 100 100 100 100 1.9-4.2 9571/1.7=90, 10804=68...(19) HA LEU 70 - HE21 GLN 72 far 9 94 10 - 6.0-8.8 HA GLU 75 - HE21 GLN 72 far 0 100 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 9571 from nnoeabs.peaks (4.00, 7.44, 111.53 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.99: HA GLU 69 + HE22 GLN 72 OK 99 100 100 100 2.4-5.3 9570/1.7=70, 10803=67...(23) HA LEU 70 - HE22 GLN 72 far 9 94 10 - 6.3-9.4 HA GLU 75 - HE22 GLN 72 far 0 100 0 - 7.8-9.6 Violated in 1 structures by 0.02 A. Peak 9572 from nnoeabs.peaks (2.92, 7.44, 111.53 ppm; 5.75 A): 2 out of 6 assignments used, quality = 0.99: HE3 LYS 68 + HE22 GLN 72 OK 94 99 100 95 3.2-6.5 9573/1.7=37, ~9573=31...(13) HE2 LYS 68 + HE22 GLN 72 OK 89 100 95 95 3.5-8.0 9573/1.7=37, ~9573=31...(11) HE3 LYS 73 - HE22 GLN 72 far 12 79 15 - 5.4-10.1 HE2 LYS 73 - HE22 GLN 72 far 7 70 10 - 6.5-11.3 HE3 LYS 66 - HE22 GLN 72 far 0 96 0 - 8.1-13.2 HE2 LYS 66 - HE22 GLN 72 far 0 90 0 - 9.1-13.9 Violated in 1 structures by 0.02 A. Peak 9573 from nnoeabs.peaks (2.90, 6.85, 111.53 ppm; 6.01 A): 2 out of 4 assignments used, quality = 1.00: HE3 LYS 68 + HE21 GLN 72 OK 93 100 100 93 2.9-6.8 9572/1.7=43, ~9572=35...(12) HE2 LYS 68 + HE21 GLN 72 OK 93 100 100 93 3.3-6.5 9572/1.7=41, ~9572=37...(11) HE3 LYS 66 - HE21 GLN 72 far 0 100 0 - 8.7-13.2 HE2 LYS 66 - HE21 GLN 72 far 0 99 0 - 9.0-13.7 Violated in 0 structures by 0.00 A. Peak 9574 from nnoeabs.peaks (1.65, 6.85, 111.53 ppm; 5.45 A): 3 out of 7 assignments used, quality = 1.00: HD3 LYS 68 + HE21 GLN 72 OK 98 100 100 99 4.8-6.2 ~9563=34, 3.0/9573=30...(23) HD2 LYS 68 + HE21 GLN 72 OK 98 100 100 98 3.4-4.9 ~9563=34, 9575/1.7=31...(21) HG2 LYS 68 + HE21 GLN 72 OK 94 100 95 99 3.1-7.5 ~9563=39, 3.6/9573=28...(23) HD2 LYS 73 - HE21 GLN 72 far 4 90 5 - 6.7-10.0 HD3 LYS 73 - HE21 GLN 72 far 0 92 0 - 7.9-10.8 HB3 ARG 79 - HE21 GLN 72 far 0 99 0 - 8.5-13.1 HB ILE 76 - HE21 GLN 72 far 0 100 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 9575 from nnoeabs.peaks (1.65, 7.44, 111.53 ppm; 5.15 A): 3 out of 7 assignments used, quality = 1.00: HD2 LYS 68 + HE22 GLN 72 OK 98 100 100 98 2.5-6.3 ~9563=30, 3.0/9572=30...(21) HD3 LYS 68 + HE22 GLN 72 OK 93 100 95 98 4.1-7.7 ~9563=30, 3.0/9572=30...(21) HG2 LYS 68 + HE22 GLN 72 OK 87 99 90 98 2.3-6.9 ~9563=34, 2.9/12304=28...(22) HD2 LYS 73 - HE22 GLN 72 far 5 96 5 - 6.4-10.6 HD3 LYS 73 - HE22 GLN 72 far 0 97 0 - 7.4-11.3 HB3 ARG 79 - HE22 GLN 72 far 0 100 0 - 8.7-14.6 HB ILE 76 - HE22 GLN 72 far 0 100 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 9576 from nnoeabs.peaks (1.36, 7.84, 119.03 ppm; 5.38 A): 1 out of 4 assignments used, quality = 0.99: HB2 LEU 70 + H LYS 73 OK 99 99 100 100 5.1-5.4 3.0/10810=82...(14) HG2 LYS 39 - H LYS 73 poor 19 96 20 - 5.6-10.1 HG3 LYS 68 - H LYS 73 far 5 99 5 - 6.8-10.2 QB ALA 67 - H LYS 73 far 0 88 0 - 7.4-8.5 Violated in 1 structures by 0.00 A. Peak 9577 from nnoeabs.peaks (0.80, 7.84, 119.03 ppm; 4.70 A): 3 out of 7 assignments used, quality = 0.98: QD2 LEU 70 + H LYS 73 OK 94 100 95 99 4.6-6.3 4.0/10810=56...(17) QD1 ILE 76 + H LYS 73 OK 42 100 60 70 6.0-6.6 9592/7213=32...(6) QD1 LEU 70 + H LYS 73 OK 38 99 40 96 4.9-6.5 4.0/10810=56...(14) QD2 LEU 42 - H LYS 73 far 0 61 0 - 6.6-7.9 QD2 LEU 38 - H LYS 73 far 0 94 0 - 7.7-10.5 QD1 LEU 6 - H LYS 73 far 0 70 0 - 9.6-12.7 QD2 LEU 103 - H LYS 73 far 0 90 0 - 9.7-20.6 Violated in 1 structures by 0.00 A. Peak 9578 from nnoeabs.peaks (4.02, 7.84, 119.03 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 70 + H LYS 73 OK 99 100 100 99 3.2-3.4 10810=67, 10813/7207=37...(21) HA GLU 69 + H LYS 73 OK 74 88 100 83 4.4-5.1 9554/7196=27...(11) HA GLU 75 - H LYS 73 far 0 95 0 - 5.4-5.8 Violated in 0 structures by 0.00 A. Peak 9579 from nnoeabs.peaks (3.85, 7.84, 119.03 ppm; 4.71 A): 1 out of 4 assignments used, quality = 1.00: HA ALA 71 + H LYS 73 OK 100 100 100 100 4.2-4.5 3.6/7196=82...(13) HA ALA 67 - H LYS 73 far 0 100 0 - 7.3-8.2 HA GLU 43 - H LYS 73 far 0 71 0 - 9.2-10.2 HA GLU 35 - H LYS 73 far 0 63 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9583 from nnoeabs.peaks (7.55, 7.75, 115.79 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.97: H ILE 76 + H MET 74 OK 97 98 100 100 3.6-4.4 7247/7231=71...(20) Violated in 0 structures by 0.00 A. Peak 9590 from nnoeabs.peaks (1.43, 7.75, 115.79 ppm; 4.68 A): 2 out of 5 assignments used, quality = 0.99: QB ALA 71 + H MET 74 OK 96 96 100 100 4.4-4.7 2.1/10858=82...(19) HG13 ILE 76 + H MET 74 OK 73 99 75 98 5.1-6.3 1.8/9591=58, 4.5/9583=49...(15) HG3 LYS 39 - H MET 74 far 0 96 0 - 6.2-8.9 HB2 LEU 38 - H MET 74 far 0 77 0 - 8.6-11.1 HG LEU 38 - H MET 74 far 0 70 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 9591 from nnoeabs.peaks (1.07, 7.75, 115.79 ppm; 5.52 A): 1 out of 1 assignment used, quality = 0.97: HG12 ILE 76 + H MET 74 OK 97 97 100 100 3.7-4.6 9664/7226=74...(18) Violated in 0 structures by 0.00 A. Peak 9592 from nnoeabs.peaks (0.81, 7.75, 115.79 ppm; 4.77 A): 2 out of 6 assignments used, quality = 1.00: QD1 ILE 76 + H MET 74 OK 99 99 100 100 4.3-4.6 2.1/9591=59...(18) QD2 LEU 70 + H MET 74 OK 94 100 100 94 5.6-6.3 12297/3.6=51...(12) QD1 LEU 70 - H MET 74 far 15 100 15 - 5.6-6.9 QD2 LEU 38 - H MET 74 far 0 98 0 - 8.0-10.8 QG2 ILE 52 - H MET 74 far 0 73 0 - 8.8-12.5 QD2 LEU 103 - H MET 74 far 0 96 0 - 9.9-20.2 Violated in 0 structures by 0.00 A. Peak 9593 from nnoeabs.peaks (0.71, 7.75, 115.79 ppm; 5.03 A): 3 out of 6 assignments used, quality = 0.97: QD1 LEU 42 + H MET 74 OK 90 93 100 97 4.0-5.4 9615/7228=52...(14) QG2 VAL 78 + H MET 74 OK 57 97 85 70 6.2-6.6 9558/10826=23...(8) QG1 VAL 78 + H MET 74 OK 35 61 100 58 5.4-6.0 9558/10826=18...(8) QD1 ILE 56 - H MET 74 far 0 100 0 - 8.1-9.9 QD1 ILE 52 - H MET 74 far 0 98 0 - 8.4-11.0 HG13 ILE 56 - H MET 74 far 0 100 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 9618 from nnoeabs.peaks (4.16, 8.08, 116.25 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 72 + H GLU 75 OK 98 100 100 99 3.0-3.7 3.0/10827=59...(13) HA LYS 73 + H GLU 75 OK 96 99 100 98 3.7-4.1 3.6/7231=71...(11) Violated in 0 structures by 0.00 A. Peak 9643 from nnoeabs.peaks (7.75, 7.56, 115.96 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: H MET 74 + H ILE 76 OK 100 100 100 100 3.6-4.4 9583=97, 7231/7247=76...(20) H VAL 78 + H ILE 76 OK 90 100 100 91 4.6-5.3 10898/7255=52...(7) H SER 49 - H ILE 76 far 0 87 0 - 7.9-10.7 Violated in 0 structures by 0.00 A. Peak 9644 from nnoeabs.peaks (1.97, 7.56, 115.96 ppm; 4.43 A): 4 out of 6 assignments used, quality = 1.00: HB3 MET 74 + H ILE 76 OK 99 100 100 99 3.2-5.1 1.8/9645=76, 4.3/7247=60...(14) QE MET 74 + H ILE 76 OK 52 65 85 93 4.7-6.3 4.2/9645=49, 6.0/9583=30...(13) HB2 ARG 46 + H ILE 76 OK 32 99 55 59 4.8-8.4 10179/4.5=21...(8) HB3 ARG 46 + H ILE 76 OK 31 100 45 69 5.0-7.7 9665/7256=22...(7) HB2 LYS 73 - H ILE 76 far 0 99 0 - 6.5-7.0 HB3 LYS 73 - H ILE 76 far 0 99 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 9645 from nnoeabs.peaks (2.06, 7.56, 115.96 ppm; 4.51 A): 1 out of 4 assignments used, quality = 0.99: HB2 MET 74 + H ILE 76 OK 99 100 100 99 2.4-5.5 4.3/7247=62...(14) HB3 GLU 43 - H ILE 76 far 0 100 0 - 8.8-10.8 HB3 LEU 38 - H ILE 76 far 0 99 0 - 9.5-13.1 HB2 GLN 50 - H ILE 76 far 0 59 0 - 9.7-14.1 Violated in 11 structures by 0.33 A. Peak 9647 from nnoeabs.peaks (0.72, 7.56, 115.96 ppm; 4.52 A): 3 out of 7 assignments used, quality = 0.97: QG2 VAL 78 + H ILE 76 OK 78 100 100 78 4.7-5.7 4.0/9643=24...(9) QG1 VAL 78 + H ILE 76 OK 65 81 100 81 3.4-4.0 10906/7255=36...(10) QD1 LEU 42 + H ILE 76 OK 64 79 95 86 4.9-6.0 9667/7256=48...(12) QD1 ILE 52 - H ILE 76 far 4 88 5 - 5.9-8.8 QD1 ILE 56 - H ILE 76 far 0 99 0 - 7.2-9.5 HG13 ILE 56 - H ILE 76 far 0 100 0 - 9.0-11.9 QD2 LEU 6 - H ILE 76 far 0 75 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 9649 from nnoeabs.peaks (3.83, 7.56, 115.96 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.98: HA ALA 71 + H ILE 76 OK 98 99 100 99 3.4-4.5 9648/7254=55, 10829=51...(20) HB3 SER 49 - H ILE 76 far 5 91 5 - 6.0-12.7 HA LYS 68 - H ILE 76 far 0 77 0 - 7.9-9.3 HA ALA 67 - H ILE 76 far 0 94 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9650 from nnoeabs.peaks (4.15, 7.56, 115.96 ppm; 4.68 A): 1 out of 3 assignments used, quality = 0.95: HA GLN 72 + H ILE 76 OK 95 100 100 95 3.6-4.8 8385/4.0=45...(12) HA LYS 73 - H ILE 76 far 13 88 15 - 6.0-6.9 HA LYS 47 - H ILE 76 far 0 100 0 - 9.9-11.9 Violated in 2 structures by 0.01 A. Peak 9671 from nnoeabs.peaks (5.05, 8.89, 126.14 ppm; 5.51 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 53 + H ASP 77 OK 99 100 100 99 3.9-5.3 9678/7270=79...(9) Violated in 0 structures by 0.00 A. Peak 9683 from nnoeabs.peaks (1.42, 7.75, 122.84 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.97: QB ALA 71 + H VAL 78 OK 97 98 100 98 3.1-4.0 9685/7278=63...(12) HD2 LYS 53 - H VAL 78 poor 19 63 50 61 5.2-6.4 9675/7274=22...(9) HG13 ILE 52 - H VAL 78 far 0 68 0 - 6.3-10.9 HG13 ILE 76 - H VAL 78 far 0 97 0 - 6.5-7.1 HG LEU 38 - H VAL 78 far 0 63 0 - 9.6-13.1 HB2 LEU 38 - H VAL 78 far 0 71 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 9684 from nnoeabs.peaks (1.90, 7.75, 122.84 ppm; 5.38 A): 1 out of 3 assignments used, quality = 0.97: HB VAL 54 + H VAL 78 OK 97 97 100 100 4.1-5.8 10348/3.0=93...(15) HG LEU 42 - H VAL 78 far 0 100 0 - 7.8-9.7 HB3 LYS 68 - H VAL 78 far 0 81 0 - 8.5-10.6 Violated in 2 structures by 0.03 A. Peak 9692 from nnoeabs.peaks (0.43, 8.50, 125.64 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 55 + H ARG 79 OK 100 100 100 100 3.8-4.9 2538/11118=68...(17) HG2 ARG 81 - H ARG 79 far 0 100 0 - 6.1-9.3 QD1 LEU 3 - H ARG 79 far 0 77 0 - 9.2-10.0 Violated in 4 structures by 0.05 A. Peak 9697 from nnoeabs.peaks (9.19, 8.50, 125.64 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: H ILE 56 + H ARG 79 OK 100 100 100 100 3.0-4.3 9297=90, 6915/11118=67...(22) Violated in 0 structures by 0.00 A. Peak 9715 from nnoeabs.peaks (0.74, 8.42, 118.08 ppm; 3.95 A): 4 out of 12 assignments used, quality = 1.00: QD1 LEU 64 + H THR 80 OK 97 100 100 97 3.9-4.6 10762/7307=60...(13) QG2 VAL 78 + H THR 80 OK 65 88 100 74 2.8-3.7 4.3/7297=42, 8179/2.9=17...(11) QD1 ILE 56 + H THR 80 OK 41 63 70 92 3.0-6.2 5.0/11119=25, ~10293=25...(18) HG13 ILE 56 + H THR 80 OK 38 77 55 89 4.8-7.1 ~10293=27, ~9302=26...(13) QG1 VAL 78 - H THR 80 far 0 100 0 - 5.6-6.4 HG3 ARG 81 - H THR 80 far 0 100 0 - 5.9-7.0 QG1 VAL 58 - H THR 80 far 0 87 0 - 5.9-7.1 QD2 LEU 42 - H THR 80 far 0 90 0 - 5.9-7.9 QG1 VAL 54 - H THR 80 far 0 95 0 - 6.6-7.9 QD1 ILE 8 - H THR 80 far 0 68 0 - 6.9-8.3 QD1 LEU 6 - H THR 80 far 0 84 0 - 7.1-9.8 QG1 VAL 5 - H THR 80 far 0 94 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 9716 from nnoeabs.peaks (0.42, 8.42, 118.08 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.99: QD1 LEU 55 + H THR 80 OK 96 96 100 100 4.7-5.6 9258/2.9=63, 9252/4.6=54...(17) HG2 ARG 81 + H THR 80 OK 72 100 75 96 4.3-7.4 4.9/7308=45, ~10923=37...(15) Violated in 9 structures by 0.06 A. Peak 9735 from nnoeabs.peaks (0.61, 8.76, 122.84 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.99: QG2 ILE 56 + H ARG 81 OK 99 99 100 100 2.4-4.3 9734/3573=72...(25) QD1 ILE 7 - H ARG 81 far 0 98 0 - 6.9-7.4 QD2 LEU 29 - H ARG 81 far 0 70 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 9736 from nnoeabs.peaks (0.83, 8.76, 122.84 ppm; 3.77 A): 2 out of 10 assignments used, quality = 1.00: QD1 LEU 57 + H ARG 81 OK 99 100 100 99 3.2-4.4 2642/11122=57, 9338=50...(20) QD2 LEU 57 + H ARG 81 OK 63 65 100 96 3.0-5.0 4.0/11122=45...(18) QD2 LEU 64 - H ARG 81 far 11 75 15 - 5.0-5.9 QD1 LEU 103 - H ARG 81 far 7 71 10 - 5.0-16.0 QD2 LEU 103 - H ARG 81 far 5 100 5 - 5.1-16.7 QD1 LEU 38 - H ARG 81 far 0 79 0 - 6.7-9.1 QD2 LEU 38 - H ARG 81 far 0 99 0 - 6.7-8.7 QG2 VAL 32 - H ARG 81 far 0 100 0 - 7.4-8.5 QG2 ILE 7 - H ARG 81 far 0 71 0 - 8.3-9.0 QD1 LEU 70 - H ARG 81 far 0 96 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 9737 from nnoeabs.peaks (1.20, 8.76, 122.84 ppm; 5.58 A): 1 out of 3 assignments used, quality = 1.00: HB2 LEU 57 + H ARG 81 OK 100 100 100 100 5.0-6.3 2.9/11122=97...(14) HB2 LEU 6 - H ARG 81 far 0 92 0 - 7.3-8.4 QB ALA 18 - H ARG 81 far 0 81 0 - 8.8-9.4 Violated in 16 structures by 0.26 A. Peak 9738 from nnoeabs.peaks (1.34, 8.76, 122.84 ppm; 5.31 A): 3 out of 5 assignments used, quality = 1.00: HB2 LYS 82 + H ARG 81 OK 99 100 100 99 5.3-5.8 7332/4.7=76, 9743/3.0=70...(15) QB ALA 67 + H ARG 81 OK 98 99 100 98 5.1-5.8 9528/9735=65...(16) HG12 ILE 8 + H ARG 81 OK 30 94 45 70 6.0-8.4 8312/9735=32...(10) HG3 LYS 68 - H ARG 81 far 15 100 15 - 5.8-9.0 QB ALA 89 - H ARG 81 far 0 100 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 9739 from nnoeabs.peaks (1.52, 8.76, 122.84 ppm; 5.02 A): 5 out of 8 assignments used, quality = 1.00: HG12 ILE 56 + H ARG 81 OK 99 100 100 100 3.9-6.2 12206/3573=78...(16) HB3 LEU 64 + H ARG 81 OK 65 68 100 96 3.5-4.9 3.1/10248=37...(21) HG LEU 57 + H ARG 81 OK 61 87 70 100 6.0-6.8 4.3/11122=72...(13) HG3 ARG 79 + H ARG 81 OK 41 99 55 75 5.6-7.7 3531/7308=25...(10) HG2 ARG 79 + H ARG 81 OK 30 99 40 76 4.9-8.2 3531/7308=25...(10) HB3 LEU 103 - H ARG 81 far 0 100 0 - 7.1-16.7 HG LEU 6 - H ARG 81 far 0 100 0 - 7.8-10.0 HB ILE 7 - H ARG 81 far 0 100 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 9740 from nnoeabs.peaks (4.71, 8.76, 122.84 ppm; 4.99 A): 3 out of 3 assignments used, quality = 1.00: HA LYS 82 + H ARG 81 OK 99 99 100 100 4.4-4.7 9372/10926=68, ~7324=53...(22) HA ARG 79 + H ARG 81 OK 94 100 100 94 5.8-6.4 7298/7308=76...(9) HA LEU 55 + H ARG 81 OK 58 59 100 97 4.8-6.2 3.6/9753=69, 4.0/9280=62...(14) Violated in 0 structures by 0.00 A. Peak 9753 from nnoeabs.peaks (9.20, 8.76, 122.84 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.99: H ILE 56 + H ARG 81 OK 99 99 100 100 3.1-4.3 9298=94, 9299/7311=77...(19) H THR 84 - H ARG 81 far 0 100 0 - 9.8-10.0 Violated in 0 structures by 0.00 A. Peak 9754 from nnoeabs.peaks (2.88, 8.72, 124.67 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.91: HE3 LYS 82 + H LYS 82 OK 91 91 100 100 4.0-5.6 3.9/7335=67, 4.8/7332=66...(14) HE2 LYS 68 - H LYS 82 far 0 70 0 - 6.8-10.7 HE3 LYS 68 - H LYS 82 far 0 73 0 - 7.1-10.2 HB2 ASN 60 - H LYS 82 far 0 96 0 - 9.2-9.7 Violated in 9 structures by 0.21 A. Peak 9755 from nnoeabs.peaks (0.68, 8.72, 124.67 ppm; 4.36 A): 2 out of 8 assignments used, quality = 1.00: QG2 VAL 58 + H LYS 82 OK 100 100 100 100 3.6-4.1 10228/3.0=78, 10711=72...(21) QG1 VAL 58 + H LYS 82 OK 57 59 100 95 5.0-5.7 2.1/10711=62, ~10228=47...(13) QD1 ILE 56 - H LYS 82 far 0 84 0 - 6.8-9.2 QD1 ILE 8 - H LYS 82 far 0 81 0 - 7.3-8.4 QD1 LEU 14 - H LYS 82 far 0 100 0 - 7.9-8.7 HG13 ILE 56 - H LYS 82 far 0 71 0 - 8.4-10.1 QG2 VAL 78 - H LYS 82 far 0 57 0 - 8.7-9.3 QD2 LEU 14 - H LYS 82 far 0 82 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9770 from nnoeabs.peaks (8.53, 8.72, 124.67 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.96: H VAL 58 + H LYS 82 OK 96 96 100 100 4.6-4.9 9372/3.0=86...(16) H ARG 79 - H LYS 82 far 0 81 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9771 from nnoeabs.peaks (8.54, 9.11, 122.38 ppm; 3.97 A): 1 out of 2 assignments used, quality = 1.00: H VAL 58 + H VAL 83 OK 100 100 100 100 2.9-4.0 9395=98, 9372/7343=63...(18) H ASP 61 - H VAL 83 far 0 73 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 9772 from nnoeabs.peaks (5.06, 9.11, 122.38 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: HA SER 59 + H VAL 83 OK 100 100 100 100 2.4-3.7 10721=100, 10723/7343=47...(9) Violated in 0 structures by 0.00 A. Peak 9773 from nnoeabs.peaks (5.40, 9.11, 122.38 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 57 + H VAL 83 OK 99 99 100 100 3.8-5.0 6945/9771=87, 9335=69...(16) Violated in 0 structures by 0.00 A. Peak 9778 from nnoeabs.peaks (7.72, 9.11, 122.38 ppm; 5.75 A): 3 out of 3 assignments used, quality = 1.00: H ASN 60 + H VAL 83 OK 100 100 100 100 4.4-5.0 3.6/10721=91, 9436=90...(13) H LEU 64 + H VAL 83 OK 92 99 95 97 6.4-7.4 4.5/9802=45...(10) H SER 85 + H VAL 83 OK 62 63 100 98 5.0-6.2 4.6/7358=71...(6) Violated in 0 structures by 0.00 A. Peak 9801 from nnoeabs.peaks (0.84, 9.11, 122.38 ppm; 5.11 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 57 + H VAL 83 OK 94 96 100 98 3.9-5.7 2648/9771=70...(11) QD2 LEU 64 + H VAL 83 OK 92 93 100 99 5.4-6.4 9758/7345=64...(10) QD1 LEU 103 - H VAL 83 far 0 91 0 - 7.5-18.8 QD2 LEU 103 - H VAL 83 far 0 95 0 - 8.3-19.9 QD1 LEU 38 - H VAL 83 far 0 95 0 - 9.2-12.5 QG2 VAL 32 - H VAL 83 far 0 98 0 - 9.2-10.5 QD2 LEU 38 - H VAL 83 far 0 91 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 9802 from nnoeabs.peaks (0.77, 9.11, 122.38 ppm; 4.79 A): 2 out of 9 assignments used, quality = 0.92: QD1 LEU 64 + H VAL 83 OK 86 87 100 99 4.9-6.1 9762/7347=62...(13) QD2 LEU 57 + H VAL 83 OK 44 77 65 87 5.8-7.0 4.0/9773=49, 2.1/9801=35...(7) QG2 ILE 8 - H VAL 83 far 0 91 0 - 6.6-7.7 HG3 ARG 81 - H VAL 83 far 0 84 0 - 7.4-8.3 QG2 ILE 7 - H VAL 83 far 0 71 0 - 7.8-8.1 QG1 VAL 5 - H VAL 83 far 0 59 0 - 8.2-9.5 QD1 ILE 93 - H VAL 83 far 0 100 0 - 8.4-9.5 QD1 ILE 15 - H VAL 83 far 0 100 0 - 8.5-9.1 HG13 ILE 93 - H VAL 83 far 0 90 0 - 9.5-12.0 Violated in 19 structures by 0.38 A. Peak 9803 from nnoeabs.peaks (0.69, 9.11, 122.38 ppm; 3.73 A): 3 out of 9 assignments used, quality = 1.00: QG2 VAL 58 + H VAL 83 OK 98 98 100 100 2.7-3.3 10710=70, 10228/7343=59...(18) QD1 LEU 14 + H VAL 83 OK 66 99 80 84 4.6-5.3 9807/7355=38...(9) QG1 VAL 58 + H VAL 83 OK 58 71 90 91 4.5-5.3 2.1/10710=59...(10) QD2 LEU 14 - H VAL 83 far 0 91 0 - 5.6-6.3 QD1 ILE 8 - H VAL 83 far 0 90 0 - 6.4-7.7 QG1 VAL 5 - H VAL 83 far 0 59 0 - 8.2-9.5 QD1 ILE 56 - H VAL 83 far 0 92 0 - 8.5-9.7 QD1 LEU 29 - H VAL 83 far 0 70 0 - 8.7-11.3 HG13 ILE 56 - H VAL 83 far 0 82 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9830 from nnoeabs.peaks (0.69, 9.20, 113.18 ppm; 4.87 A): 1 out of 5 assignments used, quality = 0.99: QD1 LEU 14 + H THR 84 OK 99 99 100 100 4.0-5.1 10413/7366=75...(15) QG2 VAL 58 - H THR 84 poor 20 98 20 - 6.2-7.0 QD2 LEU 14 - H THR 84 far 14 91 15 - 6.2-7.1 QG1 VAL 58 - H THR 84 far 0 71 0 - 8.2-8.8 QD1 ILE 8 - H THR 84 far 0 90 0 - 9.7-11.2 Violated in 7 structures by 0.05 A. Peak 9831 from nnoeabs.peaks (1.80, 9.20, 113.18 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 88 + H THR 84 OK 100 100 100 100 3.3-4.7 9920=72, 10297/7366=67...(13) HB3 LYS 82 + H THR 84 OK 29 61 75 63 5.6-7.2 4.6/7358=47...(3) HB3 LEU 57 - H THR 84 far 0 90 0 - 8.2-9.2 HB3 GLU 63 - H THR 84 far 0 87 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 9832 from nnoeabs.peaks (1.96, 9.20, 113.18 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.96: HG3 GLU 88 + H THR 84 OK 96 96 100 100 2.5-3.8 1.8/9921=81, 3.0/9920=69...(10) HB2 GLU 17 - H THR 84 far 0 94 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 9833 from nnoeabs.peaks (3.91, 9.20, 113.18 ppm; 5.57 A): 1 out of 3 assignments used, quality = 1.00: HB2 SER 85 + H THR 84 OK 100 100 100 100 3.7-5.1 4.0/7366=92, 3.0/9834=73...(9) HA ALA 89 - H THR 84 poor 20 100 20 - 6.3-7.7 HB3 SER 9 - H THR 84 far 0 94 0 - 7.4-9.0 Violated in 0 structures by 0.00 A. Peak 9834 from nnoeabs.peaks (5.13, 9.20, 113.18 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: HA SER 85 + H THR 84 OK 100 100 100 100 4.5-5.1 3.0/7366=99, 3.0/9833=67...(6) HA ILE 7 - H THR 84 far 0 100 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 9844 from nnoeabs.peaks (7.45, 7.69, 115.56 ppm; 5.94 A): 1 out of 3 assignments used, quality = 0.87: H ALA 89 + H SER 85 OK 87 87 100 100 4.8-5.3 10303=82, 4.3/10297=80...(15) HE3 TRP 92 - H SER 85 far 0 94 0 - 7.9-8.8 H ARG 91 - H SER 85 far 0 91 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 9859 from nnoeabs.peaks (2.10, 7.69, 115.56 ppm; 3.77 A): 3 out of 5 assignments used, quality = 1.00: HB VAL 83 + H SER 85 OK 99 99 100 100 2.3-3.2 9774=71, 2.1/9779=60...(17) HB3 GLU 88 + H SER 85 OK 82 82 100 99 3.1-3.4 1.8/10297=59, 10299=58...(17) HG2 GLU 88 + H SER 85 OK 55 63 90 95 3.8-5.5 3.0/10297=47...(12) HB2 PRO 86 - H SER 85 far 0 96 0 - 6.5-6.9 HB3 PRO 86 - H SER 85 far 0 100 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 9860 from nnoeabs.peaks (1.97, 7.69, 115.56 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.90: HG3 GLU 88 + H SER 85 OK 90 90 100 100 2.2-4.6 1.8/10301=84...(13) HB2 GLU 17 - H SER 85 far 0 87 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 9861 from nnoeabs.peaks (1.83, 7.69, 115.56 ppm; 4.87 A): 1 out of 3 assignments used, quality = 0.88: HB2 GLU 88 + H SER 85 OK 88 88 100 100 2.9-4.8 10297=83, 1.8/10299=76...(13) HB3 LEU 57 - H SER 85 far 0 99 0 - 7.5-9.2 HB2 LYS 90 - H SER 85 far 0 92 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 9862 from nnoeabs.peaks (1.34, 7.69, 115.56 ppm; 5.80 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 89 + H SER 85 OK 100 100 100 100 4.4-5.4 7407/10303=92...(12) HG LEU 14 + H SER 85 OK 98 99 100 100 5.6-7.0 2.1/10413=98...(14) HB2 LYS 82 - H SER 85 far 0 100 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 9863 from nnoeabs.peaks (0.98, 7.69, 115.56 ppm; 4.12 A): 2 out of 2 assignments used, quality = 0.99: QG2 VAL 83 + H SER 85 OK 94 94 100 100 3.1-4.3 9779=90, 2.1/9774=69...(17) QG1 VAL 83 + H SER 85 OK 79 79 100 100 4.0-4.4 2.1/9779=71, 2.1/9774=69...(16) Violated in 0 structures by 0.00 A. Peak 9864 from nnoeabs.peaks (0.69, 7.69, 115.56 ppm; 4.62 A): 2 out of 6 assignments used, quality = 1.00: QD1 LEU 14 + H SER 85 OK 99 99 100 100 2.9-3.9 10413=97, 9830/7366=59...(23) QD2 LEU 14 + H SER 85 OK 68 91 75 100 4.7-6.3 2.1/10413=82...(13) QG2 VAL 58 - H SER 85 far 0 98 0 - 6.8-8.1 QG1 VAL 58 - H SER 85 far 0 71 0 - 8.3-9.7 QG1 VAL 5 - H SER 85 far 0 59 0 - 9.5-11.1 QD1 LEU 29 - H SER 85 far 0 70 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 9897 from nnoeabs.peaks (7.43, 8.13, 115.38 ppm; 4.74 A): 2 out of 3 assignments used, quality = 0.99: H ALA 89 + H ASP 87 OK 98 98 100 100 3.9-4.1 7397/7386=81...(22) H ARG 91 + H ASP 87 OK 69 71 100 97 5.1-5.5 4.6/10963=49...(15) HE3 TRP 92 - H ASP 87 far 0 100 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 9898 from nnoeabs.peaks (5.13, 8.13, 115.38 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.99: HA SER 85 + H ASP 87 OK 99 99 100 100 4.5-4.8 10954=73, 3.0/9849=72...(14) Violated in 12 structures by 0.04 A. Peak 9899 from nnoeabs.peaks (1.34, 8.13, 115.38 ppm; 5.70 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 89 + H ASP 87 OK 100 100 100 100 4.6-4.9 10971/3.5=94...(17) HG LEU 14 + H ASP 87 OK 98 99 100 99 5.9-6.9 8407/3.5=89, 2.1/9900=43...(12) Violated in 0 structures by 0.00 A. Peak 9900 from nnoeabs.peaks (0.69, 8.13, 115.38 ppm; 5.54 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 14 + H ASP 87 OK 99 99 100 100 4.3-4.9 8411/3.5=91...(20) QD2 LEU 14 + H ASP 87 OK 89 91 100 98 6.7-7.0 8412/3.5=71, 2.1/9899=37...(14) QD1 LEU 29 - H ASP 87 far 0 70 0 - 9.5-11.2 QG1 VAL 5 - H ASP 87 far 0 59 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 9901 from nnoeabs.peaks (1.81, 8.13, 115.38 ppm; 4.99 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 90 + H ASP 87 OK 100 100 100 100 5.2-6.3 4.1/10963=61...(20) HB2 GLU 88 + H ASP 87 OK 79 100 80 98 4.7-6.5 7393/7386=85...(10) HB3 LYS 90 - H ASP 87 far 9 92 10 - 6.1-7.1 HB ILE 93 - H ASP 87 far 0 99 0 - 9.3-9.9 HB3 LEU 57 - H ASP 87 far 0 99 0 - 9.5-10.3 Violated in 18 structures by 0.25 A. Peak 9902 from nnoeabs.peaks (1.95, 8.13, 115.38 ppm; 5.86 A): 2 out of 4 assignments used, quality = 0.97: HG3 GLU 88 + H ASP 87 OK 89 100 90 99 4.9-7.4 3893/7386=87...(12) HB2 GLU 17 + H ASP 87 OK 75 100 100 76 5.2-7.0 736/10963=24, 737/3.5=24...(10) HB2 LYS 13 - H ASP 87 poor 19 75 25 - 7.0-8.3 HB3 LYS 13 - H ASP 87 far 0 71 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 9903 from nnoeabs.peaks (3.68, 8.13, 115.38 ppm; 5.10 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 14 + H ASP 87 OK 99 100 100 99 5.1-6.2 8422/3.5=76...(17) HA GLU 88 + H ASP 87 OK 85 85 100 100 5.4-5.5 3.0/7386=93, 3.6/9897=39...(17) HA LYS 90 - H ASP 87 far 0 96 0 - 7.1-7.5 Violated in 1 structures by 0.00 A. Peak 9912 from nnoeabs.peaks (0.99, 7.57, 119.96 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.98: QG1 VAL 83 + H GLU 88 OK 91 91 100 100 4.2-4.4 9927/7397=46...(19) QG2 VAL 83 + H GLU 88 OK 81 81 100 99 4.9-5.3 4.0/9919=43...(17) Violated in 0 structures by 0.00 A. Peak 9919 from nnoeabs.peaks (9.20, 7.57, 120.01 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: H THR 84 + H GLU 88 OK 100 100 100 100 5.0-5.9 7366/10951=74...(11) Violated in 15 structures by 0.19 A. Peak 9923 from nnoeabs.peaks (4.12, 7.42, 118.87 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.85: HA PRO 86 + H ALA 89 OK 85 85 100 99 3.4-3.6 10971/7407=68, 9854=62...(14) Violated in 0 structures by 0.00 A. Peak 9924 from nnoeabs.peaks (4.23, 7.42, 118.87 ppm; 4.66 A): 1 out of 1 assignment used, quality = 0.99: HA ASP 87 + H ALA 89 OK 99 100 100 100 3.7-4.0 3.6/7397=82...(15) Violated in 0 structures by 0.00 A. Peak 9925 from nnoeabs.peaks (0.70, 7.42, 118.87 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 14 + H ALA 89 OK 93 93 100 100 2.8-3.4 8402=71, 8411/9854=46...(26) QD2 LEU 14 + H ALA 89 OK 83 98 85 99 5.3-5.8 2.1/8402=64...(22) QG1 VAL 5 - H ALA 89 far 0 77 0 - 7.0-7.7 QG2 VAL 58 - H ALA 89 far 0 91 0 - 8.6-9.2 QG1 VAL 58 - H ALA 89 far 0 87 0 - 9.3-9.8 QD1 ILE 8 - H ALA 89 far 0 98 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 9926 from nnoeabs.peaks (0.82, 7.42, 118.87 ppm; 4.59 A): 2 out of 5 assignments used, quality = 0.99: QD1 LEU 57 + H ALA 89 OK 97 99 100 99 3.8-6.0 10698/3.0=42, 9341=40...(26) QD2 LEU 57 + H ALA 89 OK 43 91 50 95 6.0-6.2 2.1/9341=33, 9929/3.0=32...(21) QG2 ILE 7 - H ALA 89 far 0 94 0 - 7.8-8.5 QD2 LEU 103 - H ALA 89 far 0 99 0 - 8.1-18.2 QG2 ILE 15 - H ALA 89 far 0 100 0 - 8.8-9.4 Violated in 5 structures by 0.09 A. Peak 9927 from nnoeabs.peaks (1.00, 7.42, 118.87 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 83 + H ALA 89 OK 97 97 100 100 3.2-3.7 9810/7407=59...(31) QG2 VAL 83 + H ALA 89 OK 71 71 100 99 3.6-4.2 9931/7407=34, ~9810=31...(28) HG LEU 55 - H ALA 89 far 0 73 0 - 8.4-9.4 HB3 LEU 55 - H ALA 89 far 0 75 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 9934 from nnoeabs.peaks (6.87, 7.42, 118.87 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 92 + H ALA 89 OK 100 100 100 100 5.3-6.0 9935/3.0=85...(16) Violated in 19 structures by 0.28 A. Peak 9941 from nnoeabs.peaks (0.98, 8.05, 114.83 ppm; 5.43 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 83 + H LYS 90 OK 98 98 100 100 5.0-5.9 9931/3910=86...(16) QG1 VAL 83 + H LYS 90 OK 66 68 100 98 5.1-5.6 9810/3910=54...(14) QG2 VAL 5 - H LYS 90 far 0 79 0 - 7.5-8.3 HG LEU 55 - H LYS 90 far 0 99 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 9942 from nnoeabs.peaks (0.77, 8.05, 114.83 ppm; 4.69 A): 4 out of 10 assignments used, quality = 1.00: QD1 ILE 93 + H LYS 90 OK 100 100 100 100 3.4-3.8 10321/3910=78...(25) HG13 ILE 93 + H LYS 90 OK 63 81 80 98 5.0-6.7 ~10025=48, 4.6/10977=41...(18) QG2 ILE 93 + H LYS 90 OK 50 91 55 99 5.7-6.4 10027/3.0=52...(18) QD2 LEU 57 + H LYS 90 OK 28 87 45 73 5.8-6.6 9929/3.6=25...(12) QG2 ILE 7 - H LYS 90 far 0 82 0 - 7.7-8.4 QG2 ILE 15 - H LYS 90 far 0 61 0 - 8.0-8.9 QD1 LEU 27 - H LYS 90 far 0 100 0 - 8.2-9.6 QD1 ILE 15 - H LYS 90 far 0 98 0 - 8.4-9.2 HG3 ARG 81 - H LYS 90 far 0 73 0 - 9.7-11.6 HG13 ILE 15 - H LYS 90 far 0 95 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9943 from nnoeabs.peaks (0.70, 8.05, 114.83 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 14 + H LYS 90 OK 97 98 100 98 5.3-6.3 8412/9950=58...(16) QD1 LEU 14 + H LYS 90 OK 93 93 100 100 3.8-4.5 8402/7408=71...(22) QG1 VAL 5 - H LYS 90 poor 13 77 85 20 6.2-6.9 10194/3910=8, 9930/3.6=7...(5) Violated in 0 structures by 0.00 A. Peak 9944 from nnoeabs.peaks (2.09, 8.05, 114.83 ppm; 4.36 A): 4 out of 7 assignments used, quality = 1.00: HB3 PRO 86 + H LYS 90 OK 96 98 100 98 4.3-4.6 2.3/9950=60...(21) HB3 GLU 88 + H LYS 90 OK 90 96 100 94 5.3-5.6 4.3/7408=62, 3.9/7398=44...(10) HB2 PRO 86 + H LYS 90 OK 79 82 100 97 5.2-5.6 2.3/9950=60...(18) QE MET 21 + H LYS 90 OK 45 100 45 100 5.3-6.3 8537=89, 8543/3.0=68...(19) HB VAL 83 - H LYS 90 far 0 92 0 - 6.0-6.8 HG3 GLU 104 - H LYS 90 far 0 100 0 - 7.6-21.6 HB2 GLU 16 - H LYS 90 far 0 95 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 9945 from nnoeabs.peaks (2.51, 8.05, 114.83 ppm; 5.64 A): 3 out of 4 assignments used, quality = 1.00: HB3 ASP 87 + H LYS 90 OK 98 99 100 100 5.4-5.9 3.0/9951=94...(11) HB2 ASP 87 + H LYS 90 OK 98 99 100 100 5.4-5.8 3.0/9951=94...(12) HD2 ARG 91 + H LYS 90 OK 88 90 100 98 5.2-6.9 4062/7431=67...(14) HG3 GLU 95 - H LYS 90 far 0 95 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 9950 from nnoeabs.peaks (4.10, 8.05, 114.83 ppm; 4.88 A): 1 out of 1 assignment used, quality = 0.99: HA PRO 86 + H LYS 90 OK 99 99 100 100 3.7-4.2 10971/3910=84...(19) Violated in 0 structures by 0.00 A. Peak 9951 from nnoeabs.peaks (4.21, 8.05, 114.83 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 87 + H LYS 90 OK 99 99 100 100 3.4-3.6 10962=98, 2.9/10963=49...(21) HB3 SER 85 - H LYS 90 far 0 85 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 9955 from nnoeabs.peaks (0.77, 7.47, 119.03 ppm; 5.56 A): 4 out of 8 assignments used, quality = 1.00: QD1 ILE 93 + H ARG 91 OK 100 100 100 100 4.5-4.8 10025/3.6=85...(18) QG2 ILE 93 + H ARG 91 OK 90 91 100 100 5.9-6.3 4.0/7449=70...(15) HG13 ILE 93 + H ARG 91 OK 62 81 80 96 5.5-7.3 4.6/7449=63, 9947/3.6=29...(14) QD2 LEU 57 + H ARG 91 OK 46 87 70 76 6.6-7.2 9343/7429=31...(10) QD1 LEU 27 - H ARG 91 far 0 100 0 - 8.3-9.5 HG3 ARG 81 - H ARG 91 far 0 73 0 - 9.2-11.2 QG2 ILE 7 - H ARG 91 far 0 82 0 - 9.6-10.4 QG2 ILE 15 - H ARG 91 far 0 61 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 9963 from nnoeabs.peaks (4.23, 7.47, 119.03 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 87 + H ARG 91 OK 100 100 100 100 2.8-3.3 10962/7431=71...(19) Violated in 0 structures by 0.00 A. Peak 9966 from nnoeabs.peaks (7.23, 10.29, 128.25 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.99: HH2 TRP 92 + HE1 TRP 92 OK 99 99 100 100 5.0-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 9967 from nnoeabs.peaks (8.13, 10.29, 128.25 ppm; 5.84 A): 1 out of 3 assignments used, quality = 1.00: H TRP 92 + HE1 TRP 92 OK 100 100 100 100 4.6-4.9 7466/2.6=98, 7468=86...(8) H HIS 106 - HE1 TRP 92 poor 17 85 20 - 4.0-18.5 H ASP 87 - HE1 TRP 92 far 0 100 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 9970 from nnoeabs.peaks (3.64, 10.29, 128.25 ppm; 5.80 A): 1 out of 2 assignments used, quality = 0.95: HA GLU 88 + HE1 TRP 92 OK 95 95 100 100 2.4-3.1 3.0/9974=91, 4.2/9973=72...(14) HA LYS 90 - HE1 TRP 92 far 0 82 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 9971 from nnoeabs.peaks (3.09, 10.29, 128.25 ppm; 6.50 A): 1 out of 5 assignments used, quality = 1.00: HB2 TRP 92 + HE1 TRP 92 OK 100 100 100 100 5.1-5.2 5.3=100 HB2 HIS 105 - HE1 TRP 92 poor 15 77 20 - 4.0-18.6 HB3 HIS 105 - HE1 TRP 92 far 12 77 15 - 2.2-18.3 HD3 ARG 79 - HE1 TRP 92 far 0 91 0 - 9.6-13.9 HB2 PHE 96 - HE1 TRP 92 far 0 100 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 9972 from nnoeabs.peaks (2.10, 10.29, 128.25 ppm; 4.57 A): 2 out of 5 assignments used, quality = 0.93: HB3 GLU 88 + HE1 TRP 92 OK 82 82 100 100 4.7-5.5 1.8/9974=82, 3.0/9973=58...(16) HG2 GLU 88 + HE1 TRP 92 OK 63 63 100 99 2.1-4.8 1.8/9973=71, 3.0/9974=66...(13) HG3 GLU 104 - HE1 TRP 92 poor 20 100 20 - 3.3-16.5 HB VAL 83 - HE1 TRP 92 far 0 99 0 - 6.2-7.0 QE MET 21 - HE1 TRP 92 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 9973 from nnoeabs.peaks (1.94, 10.29, 128.25 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: HG3 GLU 88 + HE1 TRP 92 OK 100 100 100 100 3.6-5.9 3.0/9974=74...(12) HB2 LYS 94 - HE1 TRP 92 far 0 92 0 - 8.5-11.1 Violated in 18 structures by 0.53 A. Peak 9974 from nnoeabs.peaks (1.80, 10.29, 128.25 ppm; 4.42 A): 1 out of 7 assignments used, quality = 0.99: HB2 GLU 88 + HE1 TRP 92 OK 99 100 100 100 3.2-4.9 3.0/9973=55, 12226=48...(15) HB2 GLU 104 - HE1 TRP 92 far 10 100 10 - 2.8-15.7 HB2 LYS 90 - HE1 TRP 92 far 0 99 0 - 8.2-10.2 HB ILE 93 - HE1 TRP 92 far 0 100 0 - 8.9-9.6 HB3 LYS 82 - HE1 TRP 92 far 0 59 0 - 9.2-9.8 HB3 LEU 57 - HE1 TRP 92 far 0 91 0 - 9.4-10.5 HB3 LYS 90 - HE1 TRP 92 far 0 75 0 - 9.5-10.4 Violated in 2 structures by 0.04 A. Peak 9975 from nnoeabs.peaks (1.73, 10.29, 128.25 ppm; 5.21 A): 0 out of 4 assignments used, quality = 0.00: HD2 ARG 81 - HE1 TRP 92 far 0 100 0 - 7.1-9.0 HD2 LYS 90 - HE1 TRP 92 far 0 97 0 - 7.2-10.6 HD3 LYS 90 - HE1 TRP 92 far 0 79 0 - 7.9-10.4 HB3 LYS 82 - HE1 TRP 92 far 0 59 0 - 9.2-9.8 Violated in 20 structures by 1.55 A. Peak 9983 from nnoeabs.peaks (0.79, 8.14, 118.10 ppm; 4.20 A): 4 out of 7 assignments used, quality = 0.98: QD1 ILE 93 + H TRP 92 OK 85 94 100 90 4.4-4.8 4162/7472=50...(10) QD2 LEU 57 + H TRP 92 OK 57 99 75 76 5.2-5.9 9991/7465=22...(13) QD1 LEU 57 + H TRP 92 OK 50 57 100 87 3.9-5.2 14636/7466=41...(12) QG2 ILE 93 + H TRP 92 OK 35 63 65 85 5.5-5.9 4.0/7472=57, 4.3/7473=46...(6) QD2 LEU 103 - H TRP 92 far 3 59 5 - 5.3-14.8 QD1 LEU 27 - H TRP 92 far 0 93 0 - 7.6-8.5 QG2 ILE 7 - H TRP 92 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 9998 from nnoeabs.peaks (1.02, 10.29, 128.25 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.99: QG1 VAL 83 + HE1 TRP 92 OK 99 100 100 99 4.1-4.8 10295=74, 9796/2.6=66...(18) Violated in 20 structures by 0.75 A. Peak 9999 from nnoeabs.peaks (0.81, 10.29, 128.25 ppm; 4.84 A): 1 out of 4 assignments used, quality = 0.84: QD1 LEU 57 + HE1 TRP 92 OK 84 90 95 99 5.3-6.4 14636/2.6=75...(13) QD2 LEU 103 - HE1 TRP 92 far 0 91 0 - 6.4-15.5 QD2 LEU 57 - HE1 TRP 92 far 0 99 0 - 7.2-8.3 QD1 ILE 93 - HE1 TRP 92 far 0 65 0 - 8.3-8.7 Violated in 20 structures by 0.83 A. Peak 10000 from nnoeabs.peaks (0.42, 10.29, 128.25 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.25: HG2 ARG 81 + HE1 TRP 92 OK 25 100 25 99 5.8-8.7 1.8/10001=74, ~10925=48...(11) QD1 LEU 55 - HE1 TRP 92 far 10 99 10 - 6.8-7.9 Violated in 20 structures by 2.39 A. Peak 10001 from nnoeabs.peaks (0.75, 10.29, 128.25 ppm; 5.97 A): 1 out of 6 assignments used, quality = 0.93: HG3 ARG 81 + HE1 TRP 92 OK 93 98 95 99 6.5-7.5 1.8/10000=91, ~10925=54...(9) QD1 ILE 93 - HE1 TRP 92 far 0 94 0 - 8.3-8.7 HG13 ILE 93 - HE1 TRP 92 far 0 99 0 - 8.5-10.8 QG2 ILE 93 - HE1 TRP 92 far 0 100 0 - 9.3-9.6 QG1 VAL 5 - HE1 TRP 92 far 0 85 0 - 9.3-10.0 QD1 LEU 64 - HE1 TRP 92 far 0 99 0 - 9.5-10.6 Violated in 20 structures by 0.84 A. Peak 10005 from nnoeabs.peaks (0.50, 8.36, 120.59 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + H ILE 93 OK 99 99 100 100 3.2-4.1 9262/3.0=83...(16) QD1 LEU 3 - H ILE 93 far 0 68 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 10006 from nnoeabs.peaks (1.32, 8.36, 120.59 ppm; 5.32 A): 4 out of 6 assignments used, quality = 1.00: QB ALA 89 + H ILE 93 OK 92 92 100 100 4.6-5.2 9939=89, 10321/4162=77...(12) HG2 LYS 94 + H ILE 93 OK 68 92 75 99 5.1-7.2 4.9/7498=67, 1.8/4229=38...(15) QB ALA 25 + H ILE 93 OK 67 92 85 85 6.2-7.3 7515/7498=31...(10) HG2 LYS 90 + H ILE 93 OK 66 73 100 90 4.7-6.8 4.0/3922=69...(7) HG LEU 14 - H ILE 93 far 0 75 0 - 8.1-9.6 HB3 LEU 27 - H ILE 93 far 0 85 0 - 9.0-10.2 Violated in 0 structures by 0.00 A. Peak 10033 from nnoeabs.peaks (7.45, 8.26, 121.69 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.97: H ARG 91 + H LYS 94 OK 97 97 100 100 4.8-5.4 10980=96, 7448/7473=83...(13) H ALA 89 - H LYS 94 far 0 75 0 - 7.6-8.3 HE3 TRP 92 - H LYS 94 far 0 85 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 10034 from nnoeabs.peaks (2.41, 8.26, 121.69 ppm; 5.37 A): 2 out of 3 assignments used, quality = 1.00: HG3 MET 21 + H LYS 94 OK 98 98 100 100 3.2-6.4 1.8/8534=93, 3.4/8536=48...(17) HB3 MET 21 + H LYS 94 OK 97 98 100 100 5.2-6.7 3.0/8534=79, 4.3/8536=41...(18) HG3 GLU 99 - H LYS 94 far 0 84 0 - 7.8-10.5 Violated in 3 structures by 0.03 A. Peak 10035 from nnoeabs.peaks (2.52, 8.26, 121.69 ppm; 5.73 A): 1 out of 4 assignments used, quality = 1.00: HG3 GLU 95 + H LYS 94 OK 100 100 100 100 5.1-5.8 7542/7528=97...(9) HD2 ARG 91 - H LYS 94 poor 17 59 35 80 5.5-8.8 6.1/10980=48...(7) HB3 ASP 87 - H LYS 94 far 0 81 0 - 8.7-10.2 HB2 ASP 87 - H LYS 94 far 0 81 0 - 8.9-10.5 Violated in 4 structures by 0.01 A. Peak 10038 from nnoeabs.peaks (3.11, 8.36, 118.50 ppm; 5.22 A): 2 out of 5 assignments used, quality = 1.00: HB2 TRP 92 + H GLU 95 OK 98 100 100 98 5.5-6.4 3.0/7525=86, 4105=49...(9) HB2 PHE 96 + H GLU 95 OK 95 99 100 96 4.6-5.2 7557/4.5=74...(9) HB2 HIS 105 - H GLU 95 far 0 94 0 - 7.5-19.5 HD2 ARG 79 - H GLU 95 far 0 68 0 - 8.8-13.9 HD3 ARG 79 - H GLU 95 far 0 71 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 10039 from nnoeabs.peaks (0.76, 8.36, 118.50 ppm; 5.09 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 93 + H GLU 95 OK 100 100 100 100 4.5-5.3 4.3/7528=76...(18) QD1 ILE 93 + H GLU 95 OK 66 98 70 96 6.3-6.9 4.2/7527=50, 3.1/4138=38...(14) QD1 LEU 27 + H GLU 95 OK 63 98 85 76 5.7-6.9 10140/7527=29...(11) HG13 ILE 93 + H GLU 95 OK 46 98 50 94 6.1-7.0 4.0/7527=51, 3.2/4138=37...(12) QG1 VAL 5 - H GLU 95 far 0 77 0 - 6.9-8.3 QD2 LEU 57 - H GLU 95 far 0 59 0 - 7.0-8.2 QD2 LEU 27 - H GLU 95 far 0 82 0 - 7.3-8.5 HG3 ARG 81 - H GLU 95 far 0 95 0 - 8.1-10.9 Violated in 0 structures by 0.00 A. Peak 10043 from nnoeabs.peaks (0.77, 8.21, 120.37 ppm; 4.55 A): 3 out of 15 assignments used, quality = 1.00: QD1 LEU 27 + H PHE 96 OK 96 100 100 96 4.4-5.7 8645/7559=60...(18) QG2 ILE 93 + H PHE 96 OK 92 93 100 99 4.2-4.6 3.2/7547=71, 4.3/7522=66...(17) HG13 ILE 93 + H PHE 96 OK 61 84 80 91 5.7-6.3 4.0/7547=60...(11) HG3 ARG 81 - H GLU 104 poor 14 70 20 - 4.8-13.3 QD2 LEU 57 - H PHE 96 far 0 84 0 - 6.2-7.0 QD1 ILE 93 - H PHE 96 far 0 100 0 - 6.3-6.6 QD1 LEU 64 - H GLU 104 far 0 74 0 - 6.4-15.1 QD2 LEU 57 - H GLU 104 far 0 77 0 - 7.3-14.6 HG3 ARG 81 - H PHE 96 far 0 77 0 - 7.3-10.0 HG13 ILE 93 - H GLU 104 far 0 77 0 - 7.8-17.0 QG2 ILE 93 - H GLU 104 far 0 86 0 - 8.1-14.0 QD1 ILE 93 - H GLU 104 far 0 96 0 - 8.2-16.0 QG1 VAL 78 - H GLU 104 far 0 80 0 - 9.1-14.3 QD1 LEU 27 - H GLU 104 far 0 96 0 - 9.5-13.9 QG1 VAL 54 - H PHE 96 far 0 99 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 10044 from nnoeabs.peaks (0.52, 8.21, 120.37 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + H PHE 96 OK 99 99 100 100 3.9-4.8 9263/7558=59...(17) QD2 LEU 55 - H GLU 104 far 5 95 5 - 5.4-12.1 Violated in 11 structures by 0.13 A. Peak 10045 from nnoeabs.peaks (0.44, 8.21, 120.37 ppm; 4.85 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 55 + H PHE 96 OK 100 100 100 100 4.3-6.3 2.1/10044=88...(14) QD1 LEU 3 + H PHE 96 OK 39 84 50 93 5.9-7.0 8074/6.5=25...(13) HG2 ARG 81 - H GLU 104 lone 4 94 35 12 5.0-13.3 9747/4.9=7, 9747/4.9=4 QD1 LEU 55 - H GLU 104 lone 3 96 25 12 5.3-10.5 9272/4.9=4, 9277=2...(4) HG2 ARG 81 - H PHE 96 far 0 99 0 - 8.2-10.7 Violated in 8 structures by 0.11 A. Peak 10060 from nnoeabs.peaks (2.48, 8.22, 111.97 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.97: HG3 GLU 98 + H SER 97 OK 97 99 100 98 3.8-4.7 7594/7579=77...(9) HD2 ARG 91 - H SER 97 far 0 100 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 10061 from nnoeabs.peaks (2.21, 8.22, 111.97 ppm; 5.08 A): 3 out of 4 assignments used, quality = 1.00: HB2 GLU 95 + H SER 97 OK 98 100 100 98 5.2-5.9 7552/4.6=57...(8) HG2 GLU 98 + H SER 97 OK 97 100 100 98 4.7-6.4 1.8/10060=69...(8) HG2 GLU 99 + H SER 97 OK 62 99 70 90 4.0-6.8 11025/3.6=59...(8) HG2 MET 1 - H SER 97 far 0 98 0 - 9.0-12.9 Violated in 0 structures by 0.00 A. Peak 10062 from nnoeabs.peaks (2.07, 8.22, 111.97 ppm; 4.68 A): 5 out of 8 assignments used, quality = 0.96: HB2 GLU 98 + H SER 97 OK 78 81 100 97 4.6-5.2 4.0/7579=70...(10) QE MET 21 + H SER 97 OK 50 84 85 70 4.4-6.7 8624/10063=27...(9) HB3 GLU 98 + H SER 97 OK 31 79 40 97 5.9-6.4 4.0/7579=70...(9) HB3 GLU 99 + H SER 97 OK 27 68 55 72 4.7-7.2 3.9/7580=54, 4323/3.6=22...(6) HB2 GLU 99 + H SER 97 OK 25 79 45 70 4.5-7.3 3.9/7580=54, 4323/3.6=22...(5) HG12 ILE 93 - H SER 97 far 3 68 5 - 5.9-7.0 HB2 MET 21 - H SER 97 far 0 90 0 - 7.3-9.3 HG3 GLU 104 - H SER 97 far 0 85 0 - 8.0-15.8 Violated in 0 structures by 0.00 A. Peak 10063 from nnoeabs.peaks (1.32, 8.22, 111.97 ppm; 4.73 A): 2 out of 6 assignments used, quality = 0.98: QB ALA 25 + H SER 97 OK 96 97 100 99 4.1-4.8 10078/4.1=69...(13) HG2 LYS 94 + H SER 97 OK 44 97 50 90 5.4-6.6 3.7/7566=60...(10) HB3 LEU 27 - H SER 97 far 0 93 0 - 6.8-7.6 HG LEU 3 - H SER 97 far 0 84 0 - 6.9-8.0 QB ALA 89 - H SER 97 far 0 97 0 - 9.5-10.1 HG2 LYS 90 - H SER 97 far 0 61 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 10064 from nnoeabs.peaks (0.76, 8.22, 111.97 ppm; 3.73 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 27 + H SER 97 OK 96 99 100 97 3.2-4.0 8645/7573=38...(25) QG2 ILE 93 + H SER 97 OK 92 100 100 92 3.4-4.2 3.2/7565=41...(19) QD2 LEU 27 + H SER 97 OK 74 81 100 92 4.1-5.1 10068/3.0=27...(18) QG1 VAL 5 - H SER 97 far 0 75 0 - 6.0-7.2 HG13 ILE 93 - H SER 97 far 0 97 0 - 6.3-7.1 QD1 ILE 93 - H SER 97 far 0 98 0 - 6.3-7.1 QD2 LEU 57 - H SER 97 far 0 61 0 - 7.4-7.9 QG1 VAL 54 - H SER 97 far 0 100 0 - 9.1-10.5 HG3 ARG 81 - H SER 97 far 0 94 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 10065 from nnoeabs.peaks (0.49, 8.22, 111.97 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + H SER 97 OK 95 96 100 100 4.9-5.7 10050/7572=64...(15) QD1 LEU 3 + H SER 97 OK 78 79 100 99 4.2-5.3 10066/3.0=66, ~8090=50...(18) Violated in 1 structures by 0.00 A. Peak 10084 from nnoeabs.peaks (0.47, 7.79, 120.07 ppm; 5.27 A): 1 out of 3 assignments used, quality = 0.91: QD1 LEU 3 + H GLU 99 OK 91 99 100 92 4.9-5.9 10066/7601=62...(8) QD1 LEU 55 - H GLU 99 far 0 61 0 - 7.0-9.8 QD2 LEU 55 - H GLU 99 far 0 70 0 - 7.5-8.8 Violated in 13 structures by 0.26 A. Peak 10085 from nnoeabs.peaks (0.46, 8.14, 107.80 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 3 + H GLY 100 OK 100 100 100 100 3.3-4.1 8075=75, 10089/2.9=74...(18) QD1 LEU 55 - H GLY 100 far 0 92 0 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 10086 from nnoeabs.peaks (0.26, 8.14, 107.80 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + H GLY 100 OK 100 100 100 100 2.8-3.9 2.1/10085=89...(15) Violated in 0 structures by 0.00 A. Peak 10099 from nnoeabs.peaks (4.15, 8.02, 108.03 ppm; 5.00 A): 1 out of 4 assignments used, quality = 0.74: HA GLU 99 + H GLY 101 OK 74 77 100 96 4.3-5.8 3.6/7629=77...(6) HA GLU 98 - H GLY 101 far 7 70 10 - 6.4-8.5 HA GLU 104 - H GLY 101 far 0 82 0 - 6.7-11.1 HA MET 1 - H GLY 101 far 0 100 0 - 8.6-11.5 Violated in 5 structures by 0.10 A. Peak 10103 from nnoeabs.peaks (2.04, 8.02, 108.03 ppm; 5.21 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 99 + H GLY 101 OK 95 100 100 95 2.7-4.9 3.0/10099=72...(10) HB3 GLU 99 + H GLY 101 OK 95 100 100 95 2.6-5.7 3.0/10099=72...(10) HB2 GLU 98 - H GLY 101 far 15 100 15 - 6.2-8.6 HB3 GLU 98 - H GLY 101 far 0 100 0 - 7.2-9.4 HG12 ILE 93 - H GLY 101 far 0 100 0 - 8.8-13.4 HB3 LYS 94 - H GLY 101 far 0 92 0 - 9.3-12.8 Violated in 0 structures by 0.00 A. Peak 10104 from nnoeabs.peaks (0.44, 8.02, 108.03 ppm; 5.26 A): 1 out of 3 assignments used, quality = 0.83: QD1 LEU 3 + H GLY 101 OK 83 84 100 99 4.1-6.2 10089/3.6=66...(14) QD1 LEU 55 - H GLY 101 lone 7 100 40 17 5.4-8.6 10107/3.0=8...(3) HG2 ARG 81 - H GLY 101 far 0 99 0 - 9.0-13.7 Violated in 9 structures by 0.26 A. Peak 10105 from nnoeabs.peaks (0.24, 8.02, 108.03 ppm; 6.37 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 3 + H GLY 101 OK 96 96 100 100 2.8-4.5 2.1/10104=89...(12) Violated in 0 structures by 0.00 A. Peak 10111 from nnoeabs.peaks (1.80, 8.06, 115.27 ppm; 6.50 A): 0 out of 3 assignments used, quality = 0.00: HB2 GLU 104 - H SER 102 lone 1 99 25 3 7.3-9.3 HB VAL 78 - H SER 102 far 0 92 0 - 8.6-12.8 HB ILE 93 - H SER 102 far 0 100 0 - 9.9-16.2 Violated in 20 structures by 1.42 A. Peak 10112 from nnoeabs.peaks (1.59, 8.06, 115.27 ppm; 5.83 A): 2 out of 3 assignments used, quality = 0.95: HB2 LEU 103 + H SER 102 OK 85 99 100 86 3.9-6.5 4.0/7644=78, ~10114=21...(4) HG LEU 103 + H SER 102 OK 64 98 85 78 4.4-8.2 4490/7644=69, ~10114=17...(4) HB2 ARG 79 - H SER 102 lone 3 100 80 4 5.1-10.0 ~10114=2 Violated in 1 structures by 0.00 A. Peak 10113 from nnoeabs.peaks (1.32, 8.06, 115.27 ppm; 5.20 A): 0 out of 3 assignments used, quality = 0.00: HG LEU 3 - H SER 102 far 9 92 10 - 6.6-9.6 QB ALA 25 - H SER 102 far 0 92 0 - 8.9-12.1 HG2 LYS 94 - H SER 102 far 0 92 0 - 9.6-15.8 Violated in 20 structures by 2.41 A. Peak 10146 from nnoeabs.peaks (1.52, 8.48, 122.32 ppm; 4.70 A): 2 out of 8 assignments used, quality = 1.00: HG3 LYS 33 + H VAL 32 OK 94 97 100 97 4.6-5.6 10145/3.0=67...(9) HB ILE 7 + H VAL 32 OK 94 100 95 100 4.8-6.2 8732/4.0=69...(16) HG LEU 6 - H VAL 32 far 5 100 5 - 4.7-7.8 HG2 LYS 33 - H VAL 32 far 4 77 5 - 6.2-6.8 HG3 ARG 30 - H VAL 32 far 0 98 0 - 7.6-8.4 HG12 ILE 56 - H VAL 32 far 0 98 0 - 7.7-10.8 HG3 LYS 66 - H VAL 32 far 0 85 0 - 9.5-12.0 HG LEU 57 - H VAL 32 far 0 95 0 - 9.7-10.8 Violated in 6 structures by 0.02 A. Peak 10147 from nnoeabs.peaks (4.62, 8.48, 122.32 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.98: HA ILE 8 + H VAL 32 OK 98 99 100 99 2.7-3.6 6102/8346=63, 11115=49...(15) HB THR 34 - H VAL 32 far 0 85 0 - 9.7-10.0 Violated in 0 structures by 0.00 A. Peak 10164 from nnoeabs.peaks (4.79, 9.30, 123.65 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.97: HA THR 34 + H LYS 33 OK 97 98 100 99 4.4-4.5 3.0/6530=96, 1523/8768=71 Violated in 0 structures by 0.00 A. Peak 10188 from nnoeabs.peaks (4.07, 7.62, 118.85 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 46 + H GLU 48 OK 98 100 100 98 3.6-4.4 3.6/6780=75...(14) HB2 SER 49 + H GLU 48 OK 79 99 80 99 4.8-6.5 3.9/6795=66...(14) Violated in 0 structures by 0.00 A. Peak 10189 from nnoeabs.peaks (4.25, 7.62, 118.85 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: HA SER 49 + H GLU 48 OK 100 100 100 100 4.4-5.1 9077=90, 2.9/6795=88...(19) Violated in 6 structures by 0.07 A. Peak 10190 from nnoeabs.peaks (4.53, 7.62, 118.85 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.96: HA PHE 45 + H GLU 48 OK 96 98 100 97 3.1-4.1 6760/6780=52...(13) Violated in 0 structures by 0.00 A. Peak 10237 from nnoeabs.peaks (2.61, 7.72, 120.36 ppm; 4.70 A): 2 out of 3 assignments used, quality = 1.00: HB VAL 58 + H LEU 64 OK 99 99 100 100 3.1-3.8 10233/7032=60...(22) HB3 ASP 65 + H LEU 64 OK 71 71 100 99 4.9-5.8 4.0/7047=74, 4.6/7062=55...(15) HB3 TYR 41 - H GLU 37 far 0 27 0 - 8.0-9.2 Violated in 0 structures by 0.00 A. Peak 10238 from nnoeabs.peaks (2.72, 7.72, 120.36 ppm; 4.88 A): 3 out of 3 assignments used, quality = 1.00: HB2 ASP 65 + H LEU 64 OK 99 99 100 100 4.4-5.5 7055/7047=90...(18) HB3 ASP 61 + H LEU 64 OK 98 99 100 99 5.6-6.0 3.0/9470=83, 4.4/7027=36...(18) HE2 LYS 82 + H LEU 64 OK 23 96 25 95 4.1-7.6 12331/4.5=43...(12) Violated in 1 structures by 0.00 A. Peak 10294 from nnoeabs.peaks (7.07, 9.20, 113.18 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.59: HZ3 TRP 92 + H THR 84 OK 59 100 60 99 6.2-7.3 14659/7359=72...(7) Violated in 20 structures by 1.46 A. Peak 10303 from nnoeabs.peaks (7.69, 7.42, 118.87 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: H SER 85 + H ALA 89 OK 100 100 100 100 4.8-5.3 10951/7397=53...(15) H MET 21 - H ALA 89 far 0 99 0 - 8.9-9.8 Violated in 20 structures by 0.59 A. Peak 10304 from nnoeabs.peaks (8.13, 7.42, 118.87 ppm; 4.38 A): 2 out of 3 assignments used, quality = 1.00: H ASP 87 + H ALA 89 OK 100 100 100 100 3.9-4.1 7386/7397=77...(23) H TRP 92 + H ALA 89 OK 100 100 100 100 4.1-4.3 7448/7429=85...(16) H HIS 106 - H ALA 89 far 0 90 0 - 9.3-22.3 Violated in 0 structures by 0.00 A. Peak 10331 from nnoeabs.peaks (4.57, 8.50, 125.64 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 77 + H ARG 79 OK 99 100 100 99 6.3-6.4 7274/4.6=88, 8181/4.3=65...(8) HA HIS 105 - H ARG 79 far 0 90 0 - 8.7-16.1 Violated in 20 structures by 0.79 A. Peak 10371 from nnoeabs.peaks (1.05, 9.31, 126.92 ppm; 4.75 A): 1 out of 4 assignments used, quality = 0.94: HB3 LEU 55 + H LEU 6 OK 94 94 100 100 3.0-5.5 8189/6059=70...(13) HB3 ARG 81 - H LEU 6 far 0 98 0 - 6.6-8.4 QG1 VAL 83 - H LEU 6 far 0 68 0 - 7.8-8.5 HG12 ILE 52 - H LEU 6 far 0 100 0 - 9.8-13.2 Violated in 11 structures by 0.28 A. Peak 10385 from nnoeabs.peaks (4.62, 8.64, 122.61 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.88: HA ASP 11 + H ASN 10 OK 80 88 100 90 4.7-5.0 8353/6119=44...(10) HA ILE 8 + H ASN 10 OK 40 99 45 90 6.1-6.4 6102/4.6=72...(7) HA ASP 11 - H ALA 18 far 0 69 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 10387 from nnoeabs.peaks (4.42, 8.67, 122.72 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.97: HA SER 9 + H ASP 11 OK 97 100 100 97 3.7-4.0 3.0/10388=53...(12) HA MET 21 - H ALA 18 far 0 59 0 - 6.9-7.4 HB THR 84 - H ASP 11 far 0 96 0 - 8.5-10.5 Violated in 8 structures by 0.02 A. Peak 10388 from nnoeabs.peaks (3.93, 8.67, 122.72 ppm; 4.24 A): 1 out of 4 assignments used, quality = 0.99: HB3 SER 9 + H ASP 11 OK 99 100 100 99 2.4-4.1 2.8/8372=73...(16) HA ALA 89 - H ALA 18 far 0 43 0 - 6.3-7.4 HB3 SER 9 - H ALA 18 far 0 64 0 - 8.3-9.7 HB2 SER 85 - H ALA 18 far 0 46 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 10389 from nnoeabs.peaks (0.77, 8.67, 122.72 ppm; 3.81 A): 3 out of 14 assignments used, quality = 0.99: QD1 ILE 15 + H ASP 11 OK 97 99 100 98 2.5-3.1 8356/3.6=50...(20) QD1 ILE 93 + H ALA 18 OK 62 64 100 97 3.9-5.3 10020/2.9=70...(20) HG13 ILE 15 + H ASP 11 OK 23 97 35 69 5.2-6.0 2.1/8439=26...(12) QG2 ILE 7 - H ASP 11 far 4 77 5 - 5.3-5.8 QG2 ILE 7 - H ALA 18 far 2 42 5 - 5.0-6.0 QD1 ILE 15 - H ALA 18 far 0 62 0 - 6.0-6.5 QG2 ILE 93 - H ALA 18 far 0 55 0 - 6.4-7.9 HG13 ILE 93 - H ALA 18 far 0 48 0 - 6.7-8.3 HG13 ILE 15 - H ALA 18 far 0 59 0 - 6.7-7.1 QD2 LEU 57 - H ALA 18 far 0 46 0 - 6.7-8.4 QG2 ILE 8 - H ASP 11 far 0 94 0 - 6.8-7.1 QD1 LEU 27 - H ALA 18 far 0 64 0 - 8.6-10.0 QD1 LEU 6 - H ALA 18 far 0 64 0 - 9.4-11.7 QD2 LEU 57 - H ASP 11 far 0 82 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10390 from nnoeabs.peaks (1.71, 8.67, 122.72 ppm; 4.70 A): 8 out of 22 assignments used, quality = 1.00: HG12 ILE 15 + H ASP 11 OK 84 96 100 88 4.4-5.5 2.1/10389=49...(14) HB ILE 15 + H ASP 11 OK 67 91 95 77 5.3-6.5 3.2/10389=41, ~8448=15...(9) HG12 ILE 15 + H ALA 18 OK 53 58 100 91 5.7-6.0 4.1/642=53, 6233/6242=28...(15) HB ILE 15 + H ALA 18 OK 52 52 100 98 5.5-5.8 3.0/642=65, 652/6242=45...(15) HD3 LYS 90 + H ALA 18 OK 27 60 65 69 4.0-7.9 10433/4.6=20...(13) HD2 LYS 20 + H ALA 18 OK 26 41 95 66 4.4-6.5 5.9/6296=32, 661/6259=15...(11) HG3 LYS 20 + H ALA 18 OK 24 37 95 67 4.1-6.9 4.9/6296=40, 894/3.6=20...(6) HD3 LYS 13 + H ASP 11 OK 23 100 55 42 5.3-7.1 3.0/8371=11, 448/6145=8...(8) HD2 LYS 13 - H ASP 11 poor 19 99 45 43 5.6-6.9 3.0/8371=11, 437/6145=8...(8) HD3 LYS 20 - H ALA 18 poor 17 37 45 - 4.6-6.9 HD2 LYS 90 - H ALA 18 poor 15 41 60 60 4.1-7.3 8487/2.9=10, ~8488=10...(13) HD2 LYS 12 - H ASP 11 far 0 99 0 - 6.4-8.0 HD2 LYS 13 - H ALA 18 far 0 62 0 - 6.4-10.0 HD3 LYS 13 - H ALA 18 far 0 63 0 - 6.4-10.1 HG2 PRO 86 - H ALA 18 far 0 57 0 - 6.8-8.1 HD3 LYS 12 - H ASP 11 far 0 99 0 - 6.9-9.1 HD2 LYS 12 - H ALA 18 far 0 62 0 - 7.5-10.0 HD2 LYS 33 - H ASP 11 far 0 96 0 - 7.7-10.0 HD3 LYS 33 - H ASP 11 far 0 96 0 - 8.2-11.1 HD3 LYS 12 - H ALA 18 far 0 62 0 - 8.2-11.6 HG2 PRO 86 - H ASP 11 far 0 96 0 - 9.3-9.8 HB3 ARG 91 - H ALA 18 far 0 47 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 10397 from nnoeabs.peaks (0.79, 7.55, 122.27 ppm; 4.96 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 15 + H LEU 14 OK 93 93 100 100 5.8-5.9 4.0/6209=78, 4.4/6204=63...(14) QD1 ILE 15 + H LEU 14 OK 75 75 100 100 3.5-4.3 5.0/6209=63, 3.2/8440=49...(19) QG2 ILE 7 + H LEU 14 OK 75 99 85 88 6.2-6.5 6218/6209=35...(12) HG13 ILE 15 + H LEU 14 OK 55 65 85 99 6.3-6.6 4.6/6209=68, 2.1/8437=59...(13) QD1 ILE 93 - H LEU 14 far 0 91 0 - 8.1-9.5 QD1 LEU 57 - H LEU 14 far 0 63 0 - 8.8-11.0 QD2 LEU 57 - H LEU 14 far 0 100 0 - 9.5-10.7 QG2 ILE 8 - H LEU 14 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10416 from nnoeabs.peaks (8.90, 8.02, 118.48 ppm; 5.30 A): 1 out of 2 assignments used, quality = 1.00: H ARG 19 + H GLU 16 OK 100 100 100 100 4.5-4.8 6281/6242=74...(14) H ASP 77 - H ARG 46 poor 12 62 20 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 10427 from nnoeabs.peaks (4.16, 8.06, 118.10 ppm; 4.14 A): 2 out of 5 assignments used, quality = 0.99: HA LYS 13 + H GLU 17 OK 94 100 100 94 3.7-4.7 493/6250=66, 492/4.6=45...(10) HA LYS 13 + H ILE 15 OK 89 93 100 95 4.7-4.9 3.6/6209=56, 492/4.6=45...(14) HB2 SER 59 - H ILE 15 far 0 93 0 - 7.7-9.9 HB3 SER 85 - H GLU 17 far 0 68 0 - 9.0-11.0 HB3 SER 85 - H ILE 15 far 0 58 0 - 9.2-9.8 Violated in 2 structures by 0.01 A. Peak 10441 from nnoeabs.peaks (1.57, 7.68, 118.10 ppm; 5.13 A): 3 out of 6 assignments used, quality = 0.99: HG2 ARG 19 + H MET 21 OK 92 94 100 98 4.6-6.6 4.9/6315=69, 808/6292=56...(14) HB3 LEU 29 + H MET 21 OK 68 79 100 86 5.2-6.6 3.1/10442=24...(17) HG3 LYS 90 + H MET 21 OK 63 95 75 88 4.0-7.2 4.0/8550=54, 1.8/8561=23...(14) HG2 LYS 24 - H MET 21 far 9 93 10 - 5.9-8.3 HD3 LYS 94 - H MET 21 far 0 75 0 - 7.1-9.0 HG LEU 27 - H MET 21 far 0 75 0 - 7.9-9.2 Violated in 4 structures by 0.04 A. Peak 10442 from nnoeabs.peaks (0.65, 7.68, 118.10 ppm; 5.46 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + H MET 21 OK 99 99 100 99 4.4-6.3 10445/6337=73...(16) QD1 LEU 29 + H MET 21 OK 94 100 95 99 4.5-7.0 8672/8496=52...(14) QD1 ILE 7 + H MET 21 OK 55 77 100 72 6.2-6.8 8278/8560=28...(10) QD1 LEU 14 - H MET 21 far 0 82 0 - 7.8-9.2 QD2 LEU 6 - H MET 21 far 0 65 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 10446 from nnoeabs.peaks (4.14, 8.81, 122.15 ppm; 5.28 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 23 + H ALA 22 OK 100 100 100 100 5.0-5.4 3.0/6354=97...(14) HA LYS 24 - H ALA 22 far 6 59 10 - 6.7-7.1 Violated in 8 structures by 0.03 A. Peak 10457 from nnoeabs.peaks (1.95, 8.28, 117.00 ppm; 4.48 A): 4 out of 6 assignments used, quality = 1.00: HB3 LYS 24 + H GLU 23 OK 87 99 100 87 4.3-4.9 4.0/6369=63, 4.4/6395=32...(9) HB2 LYS 24 + H GLU 23 OK 85 99 100 85 4.8-5.9 4.0/6369=63, 4.4/6395=32...(6) HB3 LYS 20 + H GLU 23 OK 79 92 100 86 5.1-5.6 3.0/6358=70, 4.6/6339=42...(5) HB3 ARG 19 + H GLU 23 OK 61 85 90 80 4.8-6.2 3.0/6357=36, 798/6358=24...(8) HB2 LYS 94 - H GLU 23 far 0 73 0 - 8.2-11.9 HB2 GLU 17 - H GLU 23 far 0 98 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 10458 from nnoeabs.peaks (1.60, 8.28, 117.00 ppm; 4.71 A): 3 out of 8 assignments used, quality = 1.00: HB3 LEU 29 + H GLU 23 OK 89 100 100 89 4.0-5.3 3.1/10503=41...(16) HG2 ARG 19 + H GLU 23 OK 82 98 90 93 5.5-7.2 12291/1042=52...(10) HG LEU 27 + H GLU 23 OK 76 100 90 85 5.1-6.5 1206/3.6=36, 8572/3.6=30...(10) HG2 LYS 24 - H GLU 23 far 0 99 0 - 6.4-7.1 HB3 GLU 28 - H GLU 23 far 0 70 0 - 6.9-8.7 HD3 LYS 94 - H GLU 23 far 0 100 0 - 8.0-10.8 HG3 LYS 90 - H GLU 23 far 0 98 0 - 8.2-10.9 HD2 LYS 94 - H GLU 23 far 0 82 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 10489 from nnoeabs.peaks (7.71, 8.24, 116.83 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: H ALA 25 + H LEU 27 OK 100 100 100 100 3.3-3.8 6409/6419=80...(15) H MET 21 - H LEU 27 far 0 75 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 10505 from nnoeabs.peaks (8.94, 9.09, 125.04 ppm; 4.41 A): 1 out of 3 assignments used, quality = 0.93: H VAL 5 + H ARG 30 OK 93 93 100 100 3.9-4.7 8162=87, 8172/6476=67...(19) H LEU 57 - H ARG 30 far 0 99 0 - 6.1-7.0 H ARG 19 - H ARG 30 far 0 63 0 - 6.8-7.5 Violated in 10 structures by 0.09 A. Peak 10513 from nnoeabs.peaks (1.39, 8.48, 122.32 ppm; 5.20 A): 3 out of 4 assignments used, quality = 0.99: HB3 ARG 30 + H VAL 32 OK 84 94 100 89 5.1-6.6 6494/4.6=57, 1330/3.6=33...(10) HG12 ILE 8 + H VAL 32 OK 84 84 100 100 2.9-4.7 4.1/10147=68...(20) HG12 ILE 7 + H VAL 32 OK 57 65 95 92 5.9-6.8 2.9/10146=39...(10) HG LEU 14 - H VAL 32 far 0 59 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 10514 from nnoeabs.peaks (0.71, 8.48, 122.32 ppm; 4.62 A): 3 out of 11 assignments used, quality = 1.00: QD1 ILE 8 + H VAL 32 OK 100 100 100 100 4.0-5.0 12200/6509=75...(18) QD2 LEU 6 + H VAL 32 OK 49 84 90 65 5.0-6.2 3.1/6507=21, 3.1/208=15...(10) QG1 VAL 58 + H VAL 32 OK 46 99 60 76 5.5-6.4 10518/6509=30...(11) QD1 ILE 56 - H VAL 32 far 5 100 5 - 4.8-9.0 QD2 LEU 14 - H VAL 32 far 0 100 0 - 6.4-7.1 HG13 ILE 56 - H VAL 32 far 0 100 0 - 6.5-9.9 QG1 VAL 5 - H VAL 32 far 0 97 0 - 7.2-8.1 QG2 VAL 58 - H VAL 32 far 0 63 0 - 7.9-8.7 QD1 LEU 42 - H VAL 32 far 0 87 0 - 8.4-9.6 QD1 LEU 14 - H VAL 32 far 0 68 0 - 8.5-9.2 QD1 LEU 64 - H VAL 32 far 0 79 0 - 9.8-11.4 Violated in 1 structures by 0.00 A. Peak 10516 from nnoeabs.peaks (7.83, 8.48, 122.32 ppm; 4.96 A): 1 out of 3 assignments used, quality = 0.97: H SER 9 + H VAL 32 OK 97 97 100 100 4.0-5.3 8346=93, 6102/10147=76...(18) HE ARG 30 - H VAL 32 far 3 65 5 - 6.4-9.9 H TYR 41 - H VAL 32 far 0 100 0 - 8.5-9.3 Violated in 1 structures by 0.02 A. Peak 10517 from nnoeabs.peaks (8.82, 8.48, 122.32 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.93: H ILE 8 + H VAL 32 OK 93 93 100 100 4.7-5.2 3.0/10147=91...(20) H SER 59 - H VAL 32 far 0 93 0 - 8.1-8.9 Violated in 0 structures by 0.00 A. Peak 10538 from nnoeabs.peaks (0.82, 8.19, 118.33 ppm; 5.30 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 70 + H ASP 36 OK 87 100 100 87 4.0-5.6 9549/6558=28...(17) QD2 LEU 38 + H ASP 36 OK 87 100 90 97 4.1-7.0 4.5/8772=65, 3.1/8781=34...(15) QD2 LEU 70 + H ASP 36 OK 76 99 100 76 4.6-6.6 9541/3.6=33...(13) QG2 VAL 32 - H ASP 36 far 0 96 0 - 7.3-7.9 QG2 ILE 8 - H ASP 36 far 0 77 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. Peak 10547 from nnoeabs.peaks (3.61, 7.53, 119.20 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + H LEU 38 OK 100 100 100 100 5.2-5.5 3.0/6591=96, 3.6/6616=81...(15) Violated in 18 structures by 0.14 A. Peak 10554 from nnoeabs.peaks (9.18, 7.53, 119.20 ppm; 5.74 A): 1 out of 1 assignment used, quality = 0.99: H GLU 35 + H LEU 38 OK 99 99 100 100 4.6-5.2 3.0/12057=96...(14) Violated in 0 structures by 0.00 A. Peak 10555 from nnoeabs.peaks (9.31, 7.53, 119.20 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: H LYS 33 + H LEU 38 OK 100 100 100 100 4.2-5.0 1406/8932=94...(15) Violated in 0 structures by 0.00 A. Peak 10556 from nnoeabs.peaks (8.20, 8.08, 116.94 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.99: H ASP 36 + H LYS 39 OK 98 99 100 99 4.8-5.4 3.0/8949=70...(20) H GLU 43 + H LYS 39 OK 43 100 45 96 5.6-6.4 6681/3.0=62...(12) H LYS 68 - H LYS 39 far 0 99 0 - 8.2-9.2 Violated in 20 structures by 0.31 A. Peak 10590 from nnoeabs.peaks (2.02, 7.96, 115.96 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.97: QE MET 74 + H LEU 42 OK 91 91 100 100 4.0-5.0 9585/6685=55...(24) HB2 GLU 44 + H LEU 42 OK 70 90 85 92 4.9-7.2 3.9/6702=42, 1880/3.6=42...(10) HB3 GLU 44 - H LEU 42 far 9 90 10 - 5.2-7.2 HB3 GLU 48 - H LEU 42 far 0 85 0 - 9.9-13.6 Violated in 14 structures by 0.15 A. Peak 10591 from nnoeabs.peaks (2.20, 7.96, 115.96 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.95: HG2 GLU 43 + H LEU 42 OK 95 98 100 97 4.6-5.2 6695/6685=74...(11) HG3 GLU 35 - H LEU 42 far 0 100 0 - 8.4-11.4 HG2 GLU 35 - H LEU 42 far 0 100 0 - 8.5-11.1 Violated in 8 structures by 0.04 A. Peak 10610 from nnoeabs.peaks (1.69, 8.19, 117.17 ppm; 4.79 A): 1 out of 8 assignments used, quality = 0.96: HB3 LYS 40 + H GLU 43 OK 96 99 100 97 5.2-5.8 8914/6685=64...(10) HD2 LYS 39 - H GLU 43 far 3 63 5 - 5.8-8.3 HB3 LEU 70 - H GLU 43 far 0 87 0 - 6.5-7.8 HD3 LYS 47 - H GLU 43 far 0 99 0 - 6.6-9.6 HD2 LYS 47 - H GLU 43 far 0 99 0 - 6.8-9.9 HG LEU 70 - H GLU 43 far 0 100 0 - 8.8-10.3 HB ILE 52 - H GLU 43 far 0 91 0 - 9.8-12.0 HD2 LYS 73 - H GLU 43 far 0 87 0 - 9.9-12.2 Violated in 20 structures by 0.62 A. Peak 10614 from nnoeabs.peaks (0.88, 8.02, 118.14 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 76 + H ARG 46 OK 100 100 100 100 3.1-4.4 3452/9630=74...(24) HG13 ILE 7 + H GLU 16 OK 46 63 90 81 5.6-8.2 10118/676=50, 268/660=22...(8) QD1 LEU 2 - H ARG 46 far 0 100 0 - 6.7-8.8 QD1 LEU 38 - H ARG 46 far 0 87 0 - 8.2-10.8 Violated in 0 structures by 0.00 A. Peak 10621 from nnoeabs.peaks (3.94, 7.62, 118.85 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 44 + H GLU 48 OK 99 99 100 100 4.8-6.3 6758/6780=88...(10) HA TYR 41 - H GLU 48 far 0 94 0 - 9.3-11.2 Violated in 14 structures by 0.18 A. Peak 10622 from nnoeabs.peaks (3.87, 7.62, 118.85 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.99: HB3 SER 49 + H GLU 48 OK 99 99 100 100 4.2-5.4 6805/6795=88, 9080=82...(20) HA GLU 43 + H GLU 48 OK 27 96 40 72 6.2-7.7 6757/6780=45...(8) Violated in 0 structures by 0.00 A. Peak 10630 from nnoeabs.peaks (2.31, 8.55, 120.13 ppm; 4.90 A): 2 out of 4 assignments used, quality = 0.98: HG2 GLU 48 + H GLN 50 OK 88 94 95 99 3.6-8.5 1.8/11027=72...(13) HB2 GLU 48 + H GLN 50 OK 80 95 85 100 2.2-7.8 3.0/12314=79...(18) HB2 TYR 4 - H GLN 50 far 0 87 0 - 9.6-12.5 HG3 GLU 44 - H GLN 50 far 0 61 0 - 9.9-14.1 Violated in 4 structures by 0.17 A. Peak 10659 from nnoeabs.peaks (1.53, 8.64, 131.90 ppm; 4.82 A): 3 out of 12 assignments used, quality = 0.98: HG12 ILE 56 + H LEU 55 OK 88 100 90 98 4.1-6.6 2577/4.7=50, 9317/2.9=46...(17) HG LEU 6 + H LEU 55 OK 79 99 85 95 3.4-6.7 209/9294=57...(16) HB2 LEU 3 + H LEU 55 OK 24 94 30 86 5.4-7.5 4.4/9293=55...(9) HG2 ARG 79 - H LEU 55 poor 20 100 20 - 4.6-8.2 HG3 ARG 79 - H LEU 55 far 15 100 15 - 4.6-8.3 HD3 LYS 53 - H LEU 55 far 0 95 0 - 6.5-9.0 HG LEU 57 - H LEU 55 far 0 70 0 - 7.4-8.4 HB3 GLU 28 - H LEU 55 far 0 81 0 - 7.9-9.5 HG3 ARG 30 - H LEU 55 far 0 100 0 - 8.0-10.1 HB3 LEU 103 - H LEU 55 far 0 98 0 - 8.4-13.1 HB ILE 7 - H LEU 55 far 0 98 0 - 8.4-9.4 HG LEU 2 - H LEU 55 far 0 92 0 - 8.9-12.0 Violated in 2 structures by 0.01 A. Peak 10660 from nnoeabs.peaks (2.29, 8.64, 131.90 ppm; 5.50 A): 1 out of 3 assignments used, quality = 1.00: HB2 TYR 4 + H LEU 55 OK 100 100 100 100 3.4-4.4 10204/6902=82...(10) HB2 TYR 41 - H LEU 55 far 0 82 0 - 7.7-10.5 HD3 ARG 81 - H LEU 55 far 0 91 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 10661 from nnoeabs.peaks (2.44, 8.64, 131.90 ppm; 5.79 A): 1 out of 3 assignments used, quality = 0.96: HB3 TYR 4 + H LEU 55 OK 96 96 100 100 3.7-5.0 1.8/10660=88...(10) HG3 GLU 99 - H LEU 55 far 0 100 0 - 9.0-14.3 HG3 MET 1 - H LEU 55 far 0 85 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 10667 from nnoeabs.peaks (0.82, 9.19, 126.37 ppm; 4.59 A): 2 out of 13 assignments used, quality = 0.99: QD1 LEU 57 + H ILE 56 OK 98 100 100 98 2.9-5.5 10212/6920=56...(14) QD2 LEU 57 + H ILE 56 OK 73 79 100 92 2.9-3.8 10217/6920=34...(17) QD2 LEU 103 - H ILE 56 poor 9 100 45 20 4.9-14.5 9272/2544=5, 4500/9698=4...(8) QD2 LEU 38 - H ILE 56 far 5 100 5 - 5.9-8.9 QD1 LEU 38 - H ILE 56 far 0 65 0 - 6.4-8.9 QG2 VAL 32 - H ILE 56 far 0 100 0 - 6.7-7.8 QD2 LEU 64 - H ILE 56 far 0 61 0 - 7.9-8.8 QG2 ILE 7 - H ILE 56 far 0 84 0 - 8.2-8.8 QG2 ILE 8 - H ILE 56 far 0 61 0 - 8.7-9.3 QD1 ILE 76 - H ILE 56 far 0 87 0 - 9.1-10.1 QD1 LEU 70 - H ILE 56 far 0 99 0 - 9.2-11.4 QD2 LEU 70 - H ILE 56 far 0 95 0 - 9.8-11.8 QD2 LEU 2 - H ILE 56 far 0 96 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 10685 from nnoeabs.peaks (8.45, 8.93, 126.55 ppm; 5.59 A): 2 out of 6 assignments used, quality = 1.00: H ILE 7 + H LEU 57 OK 100 100 100 100 3.9-4.6 8237=98, 3.0/9332=97...(26) H VAL 32 + H LEU 57 OK 60 84 80 90 6.3-7.7 10517/8292=40...(16) H THR 80 - H LEU 57 far 0 61 0 - 7.7-8.6 H ALA 67 - H LEU 57 far 0 84 0 - 8.5-9.3 H VAL 54 - H LEU 57 far 0 65 0 - 9.5-10.6 H LEU 29 - H LEU 57 far 0 100 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10693 from nnoeabs.peaks (1.37, 8.93, 126.55 ppm; 4.87 A): 3 out of 8 assignments used, quality = 0.99: HG12 ILE 8 + H LEU 57 OK 96 98 100 98 3.7-5.2 6096/8292=65...(20) QB ALA 67 + H LEU 57 OK 57 61 100 93 5.4-6.3 10677/2592=50...(13) QB ALA 89 + H LEU 57 OK 42 65 100 64 5.0-5.8 3168/4.6=13...(13) HB3 ARG 30 - H LEU 57 far 0 100 0 - 7.2-8.7 HG LEU 14 - H LEU 57 far 0 85 0 - 7.5-8.3 HB2 LYS 82 - H LEU 57 far 0 73 0 - 8.2-9.2 QB ALA 71 - H LEU 57 far 0 65 0 - 8.5-9.4 HG3 LYS 68 - H LEU 57 far 0 84 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 10712 from nnoeabs.peaks (8.75, 8.54, 114.40 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: H ARG 81 + H VAL 58 OK 100 100 100 100 3.0-4.4 10926=100, 11122/6945=71...(24) H LYS 82 + H VAL 58 OK 74 75 100 99 4.6-4.9 3.0/9372=70, 4.5/9771=46...(14) Violated in 0 structures by 0.00 A. Peak 10722 from nnoeabs.peaks (3.92, 7.73, 117.52 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 63 + H ASN 60 OK 100 100 100 100 5.4-6.1 3.0/9413=95, 3.0/9414=92...(14) HB3 SER 9 + H ASN 60 OK 53 100 80 67 4.9-7.9 8349/6967=35...(6) Violated in 4 structures by 0.02 A. Peak 10724 from nnoeabs.peaks (4.70, 8.80, 115.50 ppm; 5.64 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 82 + H SER 59 OK 100 100 100 100 4.5-5.2 10723/3.0=87...(10) Violated in 0 structures by 0.00 A. Peak 10725 from nnoeabs.peaks (1.91, 7.73, 117.52 ppm; 5.81 A): 1 out of 5 assignments used, quality = 0.98: HB ILE 8 + H ASN 60 OK 98 99 100 100 4.5-5.2 9400/6967=91...(9) HB VAL 32 - H ASN 60 far 0 70 0 - 8.5-9.9 HB3 LEU 14 - H ASN 60 far 0 100 0 - 9.5-10.8 HB3 LYS 68 - H ASN 60 far 0 68 0 - 9.7-10.4 HG3 GLU 88 - H ASN 60 far 0 63 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 10735 from nnoeabs.peaks (7.94, 8.40, 122.15 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.95: H ASP 65 + H GLU 62 OK 95 95 100 100 4.6-4.9 7044/3.0=84...(17) H GLU 69 - H GLU 62 far 0 68 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10738 from nnoeabs.peaks (1.80, 8.40, 122.15 ppm; 5.42 A): 1 out of 3 assignments used, quality = 0.94: HB3 GLU 63 + H GLU 62 OK 94 94 100 100 4.9-5.8 3.0/10741=74...(16) HB2 LYS 66 - H GLU 62 far 12 77 15 - 6.1-9.0 HB3 LYS 82 - H GLU 62 far 0 73 0 - 7.5-8.6 Violated in 3 structures by 0.04 A. Peak 10739 from nnoeabs.peaks (1.50, 8.40, 122.15 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.85: HB3 LEU 64 + H GLU 62 OK 68 98 70 99 5.5-7.0 2825/10735=51...(14) HG2 LYS 66 + H GLU 62 OK 54 99 85 64 5.7-8.2 9459/10741=23...(8) HG3 LYS 66 - H GLU 62 far 15 99 15 - 6.0-9.3 HG LEU 64 - H GLU 62 far 4 90 5 - 6.6-7.3 Violated in 20 structures by 0.42 A. Peak 10740 from nnoeabs.peaks (0.70, 8.40, 122.15 ppm; 5.83 A): 3 out of 3 assignments used, quality = 0.99: QG1 VAL 58 + H GLU 62 OK 89 91 100 98 6.0-6.5 10226/10741=35, 10720=34...(15) QG2 VAL 58 + H GLU 62 OK 86 87 100 99 4.5-5.1 9448/3.6=47...(17) QD1 ILE 8 + H GLU 62 OK 28 99 40 72 7.0-8.2 9460/10741=24...(11) Violated in 0 structures by 0.00 A. Peak 10741 from nnoeabs.peaks (3.92, 8.40, 122.15 ppm; 5.13 A): 1 out of 2 assignments used, quality = 0.97: HA GLU 63 + H GLU 62 OK 97 99 100 98 5.2-5.3 3.0/10738=63...(13) HB3 SER 9 - H GLU 62 far 0 100 0 - 9.4-12.5 Violated in 20 structures by 0.12 A. Peak 10749 from nnoeabs.peaks (2.63, 8.38, 119.08 ppm; 5.59 A): 2 out of 4 assignments used, quality = 0.99: HB3 ASP 65 + H GLU 63 OK 97 99 100 99 5.7-6.4 2864/3.6=86...(10) HB VAL 58 + H GLU 63 OK 73 73 100 100 4.1-4.5 10236/2772=70...(19) HB3 ASP 77 - H TYR 4 poor 17 58 30 - 6.8-9.5 HB3 TYR 41 - H TYR 4 far 0 57 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 10766 from nnoeabs.peaks (1.78, 7.92, 118.10 ppm; 4.74 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + H ASP 65 OK 94 100 95 99 4.8-6.3 7032/7047=72...(13) HB2 LYS 66 + H ASP 65 OK 93 99 95 100 4.3-6.3 7069/7057=85...(15) HB3 LYS 82 - H ASP 65 far 0 98 0 - 6.5-8.4 HB ILE 56 - H ASP 65 far 0 97 0 - 7.4-8.4 HB2 GLU 104 - H ASP 65 far 0 73 0 - 9.7-22.7 Violated in 14 structures by 0.06 A. Peak 10767 from nnoeabs.peaks (2.02, 7.92, 118.10 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.98: HB2 GLU 62 + H ASP 65 OK 98 100 100 98 5.5-6.0 3.0/7044=87...(7) HB2 GLU 35 - H ASP 65 far 0 98 0 - 9.1-11.3 Violated in 20 structures by 0.80 A. Peak 10768 from nnoeabs.peaks (2.51, 7.92, 118.10 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.88: HB2 ASP 61 + H ASP 65 OK 88 100 95 93 4.8-6.8 3.0/10736=66...(8) HG3 GLU 63 - H ASP 65 far 10 99 10 - 5.4-7.1 HG3 GLN 72 - H ASP 65 far 0 75 0 - 9.5-10.9 Violated in 14 structures by 0.58 A. Peak 10773 from nnoeabs.peaks (8.20, 7.92, 118.10 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.97: H LYS 68 + H ASP 65 OK 97 97 100 100 4.5-4.7 7100/3.0=76, 7099/3.6=70...(22) Violated in 0 structures by 0.00 A. Peak 10789 from nnoeabs.peaks (4.01, 8.19, 116.17 ppm; 4.72 A): 1 out of 2 assignments used, quality = 0.95: HA GLU 69 + H LYS 68 OK 95 96 100 100 5.1-5.4 3.0/7122=91, 3.6/7116=62...(15) HA LEU 70 - H LYS 68 far 0 99 0 - 6.7-7.1 Violated in 20 structures by 0.52 A. Peak 10805 from nnoeabs.peaks (8.29, 7.90, 119.49 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.81: H ALA 71 + H GLU 69 OK 81 82 100 98 4.1-4.7 7157/7137=65...(20) Violated in 7 structures by 0.03 A. Peak 10819 from nnoeabs.peaks (1.48, 7.96, 119.43 ppm; 4.93 A): 2 out of 7 assignments used, quality = 0.96: HG2 LYS 73 + H LEU 70 OK 95 99 100 96 4.2-6.1 10813/3.0=72...(15) HG LEU 38 + H LEU 70 OK 31 87 65 54 5.2-8.2 10959/3150=32...(6) HB2 LEU 38 - H LEU 70 poor 16 81 50 39 6.1-7.0 1631/4.6=11...(6) HG3 LYS 66 - H LEU 70 far 15 99 15 - 4.7-8.2 HG2 LYS 66 - H LEU 70 far 10 99 10 - 6.3-7.8 HG LEU 64 - H LEU 70 far 0 100 0 - 8.0-9.1 HB3 LEU 64 - H LEU 70 far 0 100 0 - 9.7-10.7 Violated in 7 structures by 0.16 A. Peak 10823 from nnoeabs.peaks (1.86, 8.26, 119.60 ppm; 5.13 A): 6 out of 11 assignments used, quality = 1.00: HB3 LYS 68 + H ALA 71 OK 83 98 100 84 5.8-6.5 4.6/10805=45...(8) HB2 LYS 68 + H ALA 71 OK 76 91 100 83 5.7-6.3 4.6/10805=45...(8) HG LEU 42 + H ALA 71 OK 62 63 100 98 5.3-6.4 2.1/10414=85, ~8924=22...(21) HG2 ARG 46 + H PHE 45 OK 36 42 100 85 3.5-5.5 4.9/6741=67...(8) HB3 LYS 39 + H ALA 71 OK 35 100 70 50 4.9-7.4 10567/10414=15...(8) HG LEU 42 + H PHE 45 OK 29 38 100 76 6.1-6.4 4.3/1906=64...(4) HB3 LYS 66 - H ALA 71 far 0 100 0 - 6.9-8.6 HB VAL 54 - H PHE 45 far 0 53 0 - 7.1-8.4 HB VAL 54 - H ALA 71 far 0 84 0 - 7.6-8.6 HB3 LYS 39 - H PHE 45 far 0 71 0 - 8.6-9.8 HG2 ARG 46 - H ALA 71 far 0 70 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 10826 from nnoeabs.peaks (7.75, 7.91, 115.96 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.99: H MET 74 + H GLN 72 OK 99 99 100 100 3.9-4.2 7213/7196=84...(15) H VAL 78 - H GLN 72 far 0 100 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 10827 from nnoeabs.peaks (8.08, 7.91, 115.96 ppm; 4.75 A): 1 out of 2 assignments used, quality = 0.96: H GLU 75 + H GLN 72 OK 96 100 100 96 4.4-5.1 7231/10826=61...(9) H LYS 39 - H GLN 72 far 0 100 0 - 8.7-9.3 Violated in 6 structures by 0.06 A. Peak 10847 from nnoeabs.peaks (0.77, 7.91, 115.96 ppm; 4.34 A): 2 out of 8 assignments used, quality = 0.88: QG1 VAL 78 + H GLN 72 OK 77 87 100 89 4.7-5.5 10658/3.6=59...(9) QD2 LEU 70 + H GLN 72 OK 46 61 95 80 4.9-6.2 4.0/9554=28...(11) QD2 LEU 42 - H GLN 72 poor 20 100 20 - 5.5-6.9 QD1 ILE 76 - H GLN 72 far 0 75 0 - 5.8-6.5 QG1 VAL 54 - H GLN 72 far 0 99 0 - 8.2-10.2 QD1 LEU 64 - H GLN 72 far 0 81 0 - 8.2-9.8 QD1 LEU 6 - H GLN 72 far 0 100 0 - 8.5-11.5 QG2 ILE 52 - H GLN 72 far 0 99 0 - 9.5-13.6 Violated in 19 structures by 0.29 A. Peak 10855 from nnoeabs.peaks (8.10, 7.84, 119.03 ppm; 4.81 A): 1 out of 2 assignments used, quality = 0.78: H GLU 75 + H LYS 73 OK 78 81 100 97 3.7-4.0 4.6/7213=67...(11) H LYS 39 - H LYS 73 far 0 91 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 10856 from nnoeabs.peaks (8.25, 7.84, 119.03 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.97: H ALA 71 + H LYS 73 OK 97 97 100 100 4.2-4.4 7168/7196=86...(12) Violated in 0 structures by 0.00 A. Peak 10857 from nnoeabs.peaks (4.02, 7.75, 115.79 ppm; 4.36 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 70 + H MET 74 OK 98 100 100 98 3.9-4.9 10810/7213=59...(14) HA GLU 75 + H MET 74 OK 92 93 100 99 4.3-4.9 2.9/7231=77, 3.5/9583=53...(15) HA GLU 69 - H MET 74 far 0 85 0 - 6.9-7.4 HB2 SER 49 - H MET 74 far 0 61 0 - 9.2-15.9 Violated in 0 structures by 0.00 A. Peak 10858 from nnoeabs.peaks (3.86, 7.75, 115.79 ppm; 4.31 A): 1 out of 5 assignments used, quality = 0.93: HA ALA 71 + H MET 74 OK 93 93 100 100 3.3-3.7 10828=65, 3.6/10826=51...(24) HA GLU 43 - H MET 74 far 0 94 0 - 6.8-7.9 HA ALA 67 - H MET 74 far 0 99 0 - 7.9-9.0 HB3 SER 49 - H MET 74 far 0 99 0 - 8.7-16.0 HA LYS 40 - H MET 74 far 0 100 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 10864 from nnoeabs.peaks (2.19, 7.75, 115.79 ppm; 4.30 A): 3 out of 7 assignments used, quality = 0.98: HG3 GLU 75 + H MET 74 OK 87 99 100 89 4.3-5.4 5.0/7231=45, 4.0/9625=35...(11) HB2 GLN 72 + H MET 74 OK 81 90 95 96 5.2-5.8 7198/7213=57...(9) HG2 GLU 75 + H MET 74 OK 21 98 25 87 4.6-6.0 5.0/7231=45, 4.0/9625=35...(10) HG2 GLU 43 - H MET 74 far 0 100 0 - 5.9-8.8 HB3 GLU 75 - H MET 74 far 0 100 0 - 6.1-6.5 HG3 GLU 35 - H MET 74 far 0 99 0 - 8.8-12.2 HG2 GLU 35 - H MET 74 far 0 99 0 - 9.0-12.9 Violated in 0 structures by 0.00 A. Peak 10897 from nnoeabs.peaks (0.70, 8.89, 126.14 ppm; 5.42 A): 2 out of 6 assignments used, quality = 0.99: QD1 ILE 52 + H ASP 77 OK 92 100 100 93 3.2-6.4 10640/7264=40...(16) QG2 VAL 78 + H ASP 77 OK 88 88 100 100 5.5-5.8 4.0/7273=72, 8181/3.0=59...(14) QD1 LEU 42 - H ASP 77 poor 20 99 20 - 6.7-8.3 QD1 ILE 56 - H ASP 77 far 0 99 0 - 7.4-10.1 QD2 LEU 6 - H ASP 77 far 0 98 0 - 9.3-10.3 HG13 ILE 56 - H ASP 77 far 0 96 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 10898 from nnoeabs.peaks (0.88, 7.75, 122.84 ppm; 5.05 A): 1 out of 4 assignments used, quality = 1.00: QG2 ILE 76 + H VAL 78 OK 100 100 100 100 3.7-4.4 9676/7274=79...(18) QD1 LEU 103 - H VAL 78 far 15 98 15 - 5.1-14.7 QD1 LEU 38 - H VAL 78 far 0 95 0 - 7.9-10.3 QD1 LEU 2 - H VAL 78 far 0 100 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 10899 from nnoeabs.peaks (1.66, 7.75, 122.84 ppm; 5.55 A): 3 out of 8 assignments used, quality = 1.00: HB ILE 76 + H VAL 78 OK 97 98 100 100 3.7-4.4 2.1/10898=88...(13) HB3 ARG 79 + H VAL 78 OK 92 100 100 92 5.1-6.9 7290/4.6=75...(8) HB3 LYS 53 + H VAL 78 OK 53 81 80 82 5.9-8.5 ~11102=51, 4.4/11116=46...(4) HD2 LYS 68 - H VAL 78 far 0 100 0 - 7.1-11.2 HD3 LYS 68 - H VAL 78 far 0 100 0 - 7.4-10.8 HG2 LYS 68 - H VAL 78 far 0 96 0 - 7.5-10.2 HB ILE 52 - H VAL 78 far 0 98 0 - 8.5-10.1 HB3 LEU 6 - H VAL 78 far 0 99 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 10919 from nnoeabs.peaks (1.38, 8.42, 118.08 ppm; 5.40 A): 1 out of 5 assignments used, quality = 0.60: HG3 LYS 68 + H THR 80 OK 60 79 100 76 3.7-5.9 12321/7307=56...(5) QB ALA 71 - H THR 80 lone 7 71 100 10 4.6-5.7 9553/9715=6, 10834/7300=2 HB2 LYS 82 - H THR 80 far 0 68 0 - 8.2-9.2 HB2 LEU 70 - H THR 80 far 0 99 0 - 8.7-9.7 HG12 ILE 8 - H THR 80 far 0 96 0 - 8.9-11.1 Violated in 8 structures by 0.08 A. Peak 10920 from nnoeabs.peaks (4.38, 8.42, 118.08 ppm; 6.18 A): 1 out of 3 assignments used, quality = 0.92: HA ARG 81 + H THR 80 OK 92 92 100 100 5.3-5.5 3.0/7308=95, ~7311=79...(14) HA HIS 106 - H THR 80 far 4 85 5 - 7.4-17.3 HA SER 102 - H THR 80 far 0 100 0 - 7.9-14.7 Violated in 0 structures by 0.00 A. Peak 10921 from nnoeabs.peaks (1.76, 8.76, 122.84 ppm; 4.15 A): 2 out of 6 assignments used, quality = 1.00: HB ILE 56 + H ARG 81 OK 100 100 100 100 2.4-3.8 10293/7311=69...(21) HD2 ARG 81 + H ARG 81 OK 63 63 100 100 4.2-4.6 3.4/7316=61, 3.4/7315=48...(15) HB3 LYS 82 - H ARG 81 far 0 100 0 - 6.1-6.8 HB3 GLU 63 - H ARG 81 far 0 96 0 - 6.8-8.6 HB VAL 78 - H ARG 81 far 0 94 0 - 7.4-8.5 HB2 LYS 66 - H ARG 81 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10926 from nnoeabs.peaks (8.54, 8.76, 122.84 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.99: H VAL 58 + H ARG 81 OK 99 100 100 99 3.0-4.4 6945/11122=68, 10712=53...(24) Violated in 4 structures by 0.04 A. Peak 10939 from nnoeabs.peaks (0.86, 8.72, 124.67 ppm; 3.99 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 64 + H LYS 82 OK 100 100 100 100 2.8-4.3 2.1/7328=69...(16) QD1 LEU 57 + H LYS 82 OK 51 65 100 78 4.6-5.4 9745/7324=21...(13) QD2 LEU 103 - H LYS 82 far 3 63 5 - 5.2-17.6 QD1 LEU 103 - H LYS 82 far 0 100 0 - 5.8-16.4 HG13 ILE 8 - H LYS 82 far 0 87 0 - 9.0-11.6 QD1 LEU 38 - H LYS 82 far 0 100 0 - 9.3-11.8 HG13 ILE 7 - H LYS 82 far 0 77 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 10951 from nnoeabs.peaks (7.57, 7.69, 115.56 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: H GLU 88 + H SER 85 OK 100 100 100 100 4.0-4.5 7397/10303=75...(17) H LEU 14 - H SER 85 far 0 97 0 - 7.3-8.6 Violated in 0 structures by 0.00 A. Peak 10963 from nnoeabs.peaks (8.04, 8.13, 115.38 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.99: H LYS 90 + H ASP 87 OK 99 100 100 100 4.6-4.8 9951/2.9=75, 9950/3.5=54...(22) H GLU 17 - H ASP 87 far 0 87 0 - 7.3-9.0 H ILE 15 - H ASP 87 far 0 68 0 - 8.5-9.1 H GLU 16 - H ASP 87 far 0 88 0 - 9.1-10.3 H LYS 13 - H ASP 87 far 0 65 0 - 9.6-10.5 Violated in 16 structures by 0.10 A. Peak 10975 from nnoeabs.peaks (2.50, 7.42, 118.87 ppm; 4.81 A): 3 out of 4 assignments used, quality = 1.00: HB2 ASP 87 + H ALA 89 OK 98 99 100 98 4.6-5.5 4.6/7397=68, 3.0/9924=68...(15) HB3 ASP 87 + H ALA 89 OK 98 99 100 98 4.9-5.5 4.6/7397=68, 3.0/9924=68...(14) HD2 ARG 91 + H ALA 89 OK 21 93 25 89 6.0-6.8 4062/7429=58...(11) HG3 GLU 95 - H ALA 89 far 0 92 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 10976 from nnoeabs.peaks (1.24, 7.42, 118.87 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.83: QB ALA 18 + H ALA 89 OK 83 95 100 87 4.4-5.6 ~9940=37, 12012/8402=33...(11) QG2 THR 84 - H ALA 89 far 5 100 5 - 6.0-8.3 Violated in 9 structures by 0.15 A. Peak 10977 from nnoeabs.peaks (8.39, 8.05, 114.83 ppm; 5.35 A): 1 out of 2 assignments used, quality = 0.87: H ILE 93 + H LYS 90 OK 87 87 100 100 4.5-4.9 4.7/7453=74, 3922/3.0=71...(12) H GLU 95 - H LYS 90 far 0 82 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 10980 from nnoeabs.peaks (8.26, 7.47, 119.03 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: H LYS 94 + H ARG 91 OK 100 100 100 100 4.8-5.4 7473/7448=79, 10033=75...(13) Violated in 14 structures by 0.12 A. Peak 10981 from nnoeabs.peaks (6.89, 7.47, 119.03 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.89: HD1 TRP 92 + H ARG 91 OK 89 90 100 100 4.1-4.8 7466/7448=72...(18) Violated in 0 structures by 0.00 A. Peak 10983 from nnoeabs.peaks (4.80, 7.47, 119.03 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.97: HA TRP 92 + H ARG 91 OK 97 97 100 100 5.1-5.3 2.9/7448=97, 3.6/7449=70...(12) HA VAL 83 - H ARG 91 far 0 99 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 10985 from nnoeabs.peaks (7.00, 7.00, 84.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 91 + HE ARG 91 OK 100 100 - 100 Peak 10986 from nnoeabs.peaks (2.67, 7.00, 84.68 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: HD3 ARG 91 + HE ARG 91 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 10987 from nnoeabs.peaks (2.49, 7.00, 84.68 ppm; 4.91 A): 3 out of 4 assignments used, quality = 1.00: HD2 ARG 91 + HE ARG 91 OK 100 100 100 100 2.3-2.9 2.9=100 HB3 ASP 87 + HE ARG 91 OK 76 100 100 76 2.3-4.7 4050/4.0=23, 4059/4.0=21...(10) HB2 ASP 87 + HE ARG 91 OK 74 100 100 74 2.6-6.4 4059/4.0=21, 4050/4.0=20...(10) HG3 GLU 95 - HE ARG 91 far 0 70 0 - 7.0-12.4 Violated in 0 structures by 0.00 A. Peak 10988 from nnoeabs.peaks (1.46, 7.00, 84.68 ppm; 5.24 A): 2 out of 4 assignments used, quality = 1.00: HG3 ARG 91 + HE ARG 91 OK 98 98 100 100 2.5-3.8 4.0=100 HB2 ARG 91 + HE ARG 91 OK 90 90 100 100 2.1-5.2 4.6=100 HG LEU 57 - HE ARG 91 far 0 63 0 - 9.0-12.2 HG2 LYS 20 - HE ARG 91 far 0 100 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 10989 from nnoeabs.peaks (1.08, 7.00, 84.68 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: HG2 ARG 91 + HE ARG 91 OK 100 100 100 100 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 10990 from nnoeabs.peaks (2.10, 7.47, 119.03 ppm; 4.75 A): 3 out of 6 assignments used, quality = 1.00: QE MET 21 + H ARG 91 OK 100 100 100 100 4.8-5.6 8539=78, 8543/3.6=69...(18) HB3 GLU 88 + H ARG 91 OK 89 92 100 97 5.7-6.1 4.3/7429=77, 3.0/7428=42...(8) HB3 PRO 86 + H ARG 91 OK 86 100 100 87 5.8-6.2 4.9/9963=46...(11) HG3 GLU 104 - H ARG 91 far 10 100 10 - 5.3-20.1 HB VAL 83 - H ARG 91 far 0 96 0 - 7.0-7.6 HB2 PRO 86 - H ARG 91 far 0 90 0 - 7.2-7.5 Violated in 9 structures by 0.02 A. Peak 10991 from nnoeabs.peaks (1.33, 7.47, 119.03 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 89 + H ARG 91 OK 100 100 100 100 4.2-4.4 7407/7429=87...(16) HG2 LYS 94 - H ARG 91 far 0 100 0 - 5.7-8.9 HG LEU 14 - H ARG 91 far 0 97 0 - 6.6-8.3 QB ALA 25 - H ARG 91 far 0 100 0 - 8.2-9.4 Violated in 20 structures by 0.18 A. Peak 10993 from nnoeabs.peaks (1.00, 8.14, 118.10 ppm; 5.39 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 83 + H TRP 92 OK 98 98 100 100 4.5-5.1 9796/7466=83...(15) QG2 VAL 83 + H TRP 92 OK 60 68 100 90 5.8-6.8 9825/3904=32...(14) HG LEU 55 - H TRP 92 far 0 70 0 - 7.1-8.2 HB3 LEU 55 - H TRP 92 far 0 79 0 - 7.9-9.1 Violated in 0 structures by 0.00 A. Peak 10994 from nnoeabs.peaks (1.34, 8.14, 118.10 ppm; 5.43 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 89 + H TRP 92 OK 100 100 100 100 4.6-4.7 3910/7453=91...(14) HG2 LYS 94 + H TRP 92 OK 59 100 70 84 5.5-8.6 4208/7473=65...(6) HG3 LYS 94 + H TRP 92 OK 35 63 70 79 4.3-8.0 4.9/7473=64...(7) HG LEU 14 - H TRP 92 far 0 100 0 - 7.6-9.3 QB ALA 25 - H TRP 92 far 0 100 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 11006 from nnoeabs.peaks (4.03, 8.26, 121.69 ppm; 5.58 A): 1 out of 2 assignments used, quality = 1.00: HA GLU 95 + H LYS 94 OK 100 100 100 100 5.3-5.5 3.0/7528=98...(11) HA GLU 17 - H LYS 94 far 0 81 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 11007 from nnoeabs.peaks (2.19, 8.26, 121.69 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 95 + H LYS 94 OK 98 99 100 100 4.5-5.5 7539/7528=91...(9) HB3 GLU 95 + H LYS 94 OK 67 68 100 100 5.9-6.5 4.0/7528=85, 4.6/7522=79...(8) HG2 GLU 98 - H LYS 94 far 0 90 0 - 7.0-8.4 HG2 GLU 99 - H LYS 94 far 0 81 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 11011 from nnoeabs.peaks (0.50, 8.26, 121.69 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 55 + H LYS 94 OK 100 100 100 100 4.7-5.5 9262/3.6=95...(13) Violated in 0 structures by 0.00 A. Peak 11020 from nnoeabs.peaks (1.35, 7.66, 120.59 ppm; 5.14 A): 3 out of 4 assignments used, quality = 1.00: QB ALA 25 + H GLU 98 OK 98 99 100 99 4.0-5.5 10073/4.5=64...(10) HG2 LYS 94 + H GLU 98 OK 71 99 90 79 4.4-6.9 3.7/7582=49...(5) HG3 LYS 94 + H GLU 98 OK 33 71 75 62 5.7-7.3 3.7/7582=49...(5) HB3 LEU 27 - H GLU 98 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 11021 from nnoeabs.peaks (0.74, 7.66, 120.59 ppm; 4.90 A): 3 out of 6 assignments used, quality = 0.99: QG2 ILE 93 + H GLU 98 OK 83 100 100 83 5.4-6.1 12249/7582=33...(10) QD2 LEU 27 + H GLU 98 OK 77 96 100 81 4.7-5.9 10068/3.6=41...(5) QD1 LEU 27 + H GLU 98 OK 72 88 100 81 4.7-5.6 8641/3.6=34, 8642/4.5=28...(7) QG1 VAL 5 - H GLU 98 far 0 93 0 - 8.1-9.4 QD1 ILE 93 - H GLU 98 far 0 87 0 - 8.4-9.0 HG13 ILE 93 - H GLU 98 far 0 100 0 - 8.9-9.5 Violated in 0 structures by 0.00 A. Peak 11036 from nnoeabs.peaks (3.17, 7.45, 83.22 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HE ARG 19 OK 100 100 100 100 2.3-2.9 2.9=100 * HD2 ARG 19 + HE ARG 19 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 11037 from nnoeabs.peaks (2.31, 5.83, 83.71 ppm; 5.44 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HE ARG 81 OK 100 100 100 100 2.3-2.9 2.9=100 HG2 GLU 95 - HE ARG 81 far 0 63 0 - 7.0-11.2 Violated in 0 structures by 0.00 A. Peak 11038 from nnoeabs.peaks (3.31, 7.47, 84.20 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: HD2 ARG 46 + HE ARG 46 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 11040 from nnoeabs.peaks (3.19, 7.47, 84.20 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: HD3 ARG 46 + HE ARG 46 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 ASP 77 - HE ARG 46 far 0 96 0 - 9.4-14.7 Violated in 0 structures by 0.00 A. Peak 11041 from nnoeabs.peaks (1.98, 7.47, 84.20 ppm; 4.46 A): 4 out of 9 assignments used, quality = 1.00: HB2 ARG 46 + HE ARG 46 OK 100 100 100 100 1.9-4.8 4.5=94, ~2105=34...(19) HB3 ARG 46 + HE ARG 46 OK 96 96 100 100 1.9-4.8 4.5=94, ~2105=34...(19) HB3 MET 74 + HE ARG 46 OK 82 98 95 88 3.6-6.0 ~12326=30, ~12327=28...(12) QE MET 74 + HE ARG 46 OK 59 84 85 83 3.6-7.0 9608/2.9=54, 9607/2.9=46...(7) HB2 LYS 47 - HE ARG 46 poor 20 100 20 - 5.2-8.4 HB2 GLU 44 - HE ARG 46 far 0 85 0 - 7.1-10.3 HB3 GLU 44 - HE ARG 46 far 0 85 0 - 7.3-10.5 HB2 LYS 73 - HE ARG 46 far 0 94 0 - 7.9-10.2 HB3 LYS 73 - HE ARG 46 far 0 93 0 - 8.0-10.8 Violated in 0 structures by 0.00 A. Peak 11042 from nnoeabs.peaks (1.81, 7.47, 84.20 ppm; 4.59 A): 2 out of 4 assignments used, quality = 1.00: HG2 ARG 46 + HE ARG 46 OK 94 94 100 100 2.3-3.9 3.6=100 HG3 ARG 46 + HE ARG 46 OK 92 92 100 100 2.5-3.9 3.6=100 HB2 LEU 42 - HE ARG 46 poor 5 100 20 26 5.8-8.6 2117/2.9=9, 8916/11041=4...(7) HB2 LYS 39 - HE ARG 46 far 0 99 0 - 8.1-11.8 Violated in 0 structures by 0.00 A. Peak 11043 from nnoeabs.peaks (7.47, 7.47, 84.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 46 + HE ARG 46 OK 100 100 - 100 Peak 11044 from nnoeabs.peaks (1.89, 7.45, 83.22 ppm; 4.83 A): 2 out of 7 assignments used, quality = 1.00: HB2 ARG 19 + HE ARG 19 OK 100 100 100 100 2.8-4.8 4.8=100 HB3 ARG 19 + HE ARG 19 OK 68 68 100 100 2.9-4.5 4.8=100 HB2 LYS 20 - HE ARG 19 far 5 100 5 - 5.7-9.8 HB2 LYS 12 - HE ARG 19 far 4 77 5 - 6.0-11.9 HB VAL 5 - HE ARG 19 far 0 71 0 - 6.6-10.3 HB3 LYS 12 - HE ARG 19 far 0 81 0 - 7.6-13.3 HB3 LEU 14 - HE ARG 19 far 0 99 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 11045 from nnoeabs.peaks (1.76, 7.45, 83.22 ppm; 5.15 A): 1 out of 5 assignments used, quality = 1.00: HG3 ARG 19 + HE ARG 19 OK 100 100 100 100 2.1-4.0 3.6=100 HB ILE 15 - HE ARG 19 far 10 70 15 - 4.5-9.3 HB2 GLU 28 - HE ARG 19 far 0 91 0 - 6.7-12.7 HD3 LYS 33 - HE ARG 19 far 0 59 0 - 8.3-13.6 HD2 LYS 33 - HE ARG 19 far 0 59 0 - 8.4-14.1 Violated in 0 structures by 0.00 A. Peak 11046 from nnoeabs.peaks (1.60, 7.45, 83.22 ppm; 4.89 A): 2 out of 6 assignments used, quality = 0.99: HG2 ARG 19 + HE ARG 19 OK 98 98 100 100 2.1-3.9 3.6=100 HB3 LEU 29 + HE ARG 19 OK 43 100 50 86 3.3-8.2 3.1/11049=29...(11) HB3 GLU 28 - HE ARG 19 far 10 68 15 - 5.2-11.4 HB2 ARG 30 - HE ARG 19 lone 7 100 40 17 4.9-10.0 1306/11049=7...(4) HG3 LYS 12 - HE ARG 19 far 0 100 0 - 8.5-13.9 HG LEU 27 - HE ARG 19 far 0 100 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 11047 from nnoeabs.peaks (1.94, 7.45, 83.22 ppm; 5.17 A): 1 out of 7 assignments used, quality = 1.00: HB3 ARG 19 + HE ARG 19 OK 100 100 100 100 2.9-4.5 4.8=100 HB3 LYS 20 - HE ARG 19 far 0 100 0 - 6.8-10.2 HB2 GLU 17 - HE ARG 19 far 0 100 0 - 8.3-11.9 HB3 LEU 14 - HE ARG 19 far 0 71 0 - 9.0-13.2 HB2 LYS 24 - HE ARG 19 far 0 82 0 - 9.7-13.2 HB VAL 32 - HE ARG 19 far 0 100 0 - 9.9-14.9 HB3 LYS 24 - HE ARG 19 far 0 82 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 11048 from nnoeabs.peaks (0.81, 7.45, 83.22 ppm; 4.96 A): 2 out of 8 assignments used, quality = 0.97: QG2 ILE 15 + HE ARG 19 OK 96 100 100 96 2.4-6.1 8519/3.6=43, 8521/2.9=41...(9) QG2 ILE 7 + HE ARG 19 OK 24 99 40 60 4.6-8.3 8519/3.6=25, 8514/4.8=14...(7) QD1 LEU 6 - HE ARG 19 far 3 61 5 - 6.4-11.4 QD1 ILE 93 - HE ARG 19 far 0 59 0 - 6.5-9.2 QG2 VAL 32 - HE ARG 19 far 0 88 0 - 7.5-11.3 QD2 LEU 57 - HE ARG 19 far 0 98 0 - 8.5-11.8 QD2 LEU 38 - HE ARG 19 far 0 97 0 - 9.7-14.8 QG2 ILE 8 - HE ARG 19 far 0 90 0 - 9.8-14.0 Violated in 10 structures by 0.23 A. Peak 11049 from nnoeabs.peaks (0.64, 7.45, 83.22 ppm; 5.39 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 29 + HE ARG 19 OK 100 100 100 100 3.1-6.8 8673/3.6=87, 8686/2.9=45...(17) QD1 LEU 29 + HE ARG 19 OK 96 98 100 98 3.1-6.7 10499/3.6=55...(17) QD1 ILE 7 - HE ARG 19 poor 18 92 20 - 6.1-8.7 QD1 LEU 14 - HE ARG 19 far 0 63 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 11050 from nnoeabs.peaks (4.04, 7.45, 83.22 ppm; 5.89 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 16 + HE ARG 19 OK 99 100 100 99 2.7-6.6 8530/11048=60...(13) HA LYS 20 + HE ARG 19 OK 62 99 65 97 4.7-8.3 798/4.8=40, 8503/3.6=33...(13) HA GLU 17 - HE ARG 19 far 0 99 0 - 7.5-10.2 Violated in 3 structures by 0.01 A. Peak 11051 from nnoeabs.peaks (7.45, 7.45, 83.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 19 + HE ARG 19 OK 100 100 - 100 Peak 11052 from nnoeabs.peaks (3.09, 7.79, 84.20 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HE ARG 30 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 11053 from nnoeabs.peaks (2.68, 7.79, 84.20 ppm; 4.58 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 30 + HE ARG 30 OK 100 100 100 100 2.3-2.9 2.9=100 HB3 TYR 41 + HE ARG 30 OK 43 59 80 92 1.9-7.6 2.5/11054=30...(14) Violated in 0 structures by 0.00 A. Peak 11054 from nnoeabs.peaks (6.84, 7.79, 84.20 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + HE ARG 30 OK 97 98 100 99 3.0-6.0 8897/2.9=46, 8906/5.0=41...(17) QD TYR 41 + HE ARG 30 OK 95 95 100 99 2.6-5.6 8709/2.9=40, 8710/2.9=39...(17) Violated in 0 structures by 0.00 A. Peak 11055 from nnoeabs.peaks (1.53, 7.79, 84.20 ppm; 5.14 A): 3 out of 8 assignments used, quality = 1.00: HG3 ARG 30 + HE ARG 30 OK 100 100 100 100 2.2-4.0 4.0=100 HG LEU 6 + HE ARG 30 OK 32 100 35 90 5.7-8.8 ~8722=54, ~8723=28...(10) HB3 GLU 28 + HE ARG 30 OK 23 69 80 42 3.4-7.7 1343/4.0=18, 1361/2.9=13...(6) HB ILE 7 - HE ARG 30 far 0 100 0 - 7.2-11.1 HG3 LYS 33 - HE ARG 30 far 0 85 0 - 8.1-11.9 HG12 ILE 56 - HE ARG 30 far 0 100 0 - 8.4-13.3 HG2 LYS 33 - HE ARG 30 far 0 93 0 - 8.8-13.1 HG LEU 2 - HE ARG 30 far 0 97 0 - 9.4-17.4 Violated in 0 structures by 0.00 A. Peak 11056 from nnoeabs.peaks (1.31, 7.79, 84.20 ppm; 5.16 A): 1 out of 6 assignments used, quality = 0.93: HG2 ARG 30 + HE ARG 30 OK 93 93 100 100 2.2-4.0 4.0=100 HB3 LEU 42 - HE ARG 30 far 0 99 0 - 8.2-13.9 HB3 LEU 27 - HE ARG 30 far 0 75 0 - 8.4-12.5 QB ALA 67 - HE ARG 30 far 0 87 0 - 8.5-11.7 HG2 LYS 39 - HE ARG 30 far 0 73 0 - 9.8-16.6 HB3 LEU 2 - HE ARG 30 far 0 92 0 - 9.9-17.1 Violated in 0 structures by 0.00 A. Peak 11057 from nnoeabs.peaks (7.80, 7.79, 84.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HE ARG 30 + HE ARG 30 OK 98 98 - 100 Peak 11058 from nnoeabs.peaks (1.72, 5.83, 83.71 ppm; 4.79 A): 1 out of 2 assignments used, quality = 0.99: HD2 ARG 81 + HE ARG 81 OK 99 99 100 100 2.3-2.9 2.9=100 HB3 ARG 91 - HE ARG 81 far 0 67 0 - 9.2-12.1 Violated in 0 structures by 0.00 A. Peak 11059 from nnoeabs.peaks (0.73, 5.83, 83.71 ppm; 5.52 A): 2 out of 11 assignments used, quality = 1.00: HG3 ARG 81 + HE ARG 81 OK 99 99 100 100 2.1-3.4 4.0=100 QD1 LEU 64 + HE ARG 81 OK 92 98 100 93 5.3-6.6 3633/2.9=44, 3624/2.9=44...(8) QD1 ILE 56 - HE ARG 81 far 0 88 0 - 7.5-10.7 QG2 VAL 78 - HE ARG 81 far 0 99 0 - 7.8-10.4 QG1 VAL 58 - HE ARG 81 far 0 99 0 - 8.3-9.5 QG1 VAL 5 - HE ARG 81 far 0 100 0 - 8.3-10.0 HG13 ILE 93 - HE ARG 81 far 0 98 0 - 8.6-12.5 QD1 ILE 93 - HE ARG 81 far 0 59 0 - 9.0-11.4 QG2 ILE 93 - HE ARG 81 far 0 92 0 - 9.6-12.1 QG1 VAL 78 - HE ARG 81 far 0 96 0 - 9.8-12.6 QG1 VAL 54 - HE ARG 81 far 0 75 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 11060 from nnoeabs.peaks (0.44, 5.83, 83.71 ppm; 5.65 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 81 + HE ARG 81 OK 99 99 100 100 2.3-4.0 4.0=100 QD1 LEU 55 + HE ARG 81 OK 98 100 100 98 4.1-5.7 9253/2.9=76, 3614/4.0=43...(7) Violated in 0 structures by 0.00 A. Peak 11061 from nnoeabs.peaks (5.84, 5.83, 83.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 81 + HE ARG 81 OK 100 100 - 100 Peak 11097 from nnoeabs.peaks (3.06, 8.15, 125.33 ppm; 4.32 A): 2 out of 6 assignments used, quality = 1.00: HB3 HIS 106 + H HIS 106 OK 99 99 100 100 2.3-3.7 4.0=100 * HB3 HIS 105 + H HIS 106 OK 97 100 100 97 2.2-4.5 4.7=80, 4552/3.6=76...(4) HD3 ARG 79 - H HIS 106 far 0 99 0 - 6.8-14.3 HD2 ARG 79 - H HIS 106 far 0 100 0 - 7.5-14.7 HB2 TRP 92 - H HIS 106 far 0 65 0 - 8.0-17.5 HB2 PHE 96 - H HIS 106 far 0 70 0 - 9.7-19.1 Violated in 0 structures by 0.00 A. Peak 11098 from nnoeabs.peaks (8.37, 8.47, 123.25 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.99: H TYR 4 + H LYS 53 OK 99 100 100 100 3.2-4.3 6037/9182=57, 8122=48...(21) Violated in 0 structures by 0.00 A. Peak 11100 from nnoeabs.peaks (8.36, 8.49, 120.76 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: H TYR 4 + H VAL 54 OK 100 100 100 100 3.8-4.4 10203/3.0=75...(20) Violated in 0 structures by 0.00 A. Peak 11101 from nnoeabs.peaks (5.20, 8.49, 120.76 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.96: HA VAL 78 + H VAL 54 OK 96 100 100 97 2.2-2.9 10348/6896=51, 3477=47...(21) Violated in 0 structures by 0.00 A. Peak 11106 from nnoeabs.peaks (8.91, 8.49, 120.76 ppm; 6.30 A): 2 out of 3 assignments used, quality = 1.00: H VAL 5 + H VAL 54 OK 96 99 100 98 6.9-7.6 4.6/11100=77...(8) H ASP 77 + H VAL 54 OK 94 94 100 100 5.0-6.5 3.9/9242=85...(11) H LEU 57 - H VAL 54 far 0 90 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 11107 from nnoeabs.peaks (9.19, 9.31, 126.92 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: H ILE 56 + H LEU 6 OK 100 100 100 100 4.1-4.6 11108=100, 3.0/8216=92...(21) Violated in 0 structures by 0.00 A. Peak 11108 from nnoeabs.peaks (9.32, 9.19, 126.37 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: H LEU 6 + H ILE 56 OK 100 100 100 100 4.1-4.6 8216/3.0=85, 11107=79...(21) Violated in 0 structures by 0.00 A. Peak 11112 from nnoeabs.peaks (8.55, 8.80, 128.92 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: H VAL 58 + H ILE 8 OK 100 100 100 100 4.2-4.5 3.0/8298=94...(12) Violated in 0 structures by 0.00 A. Peak 11114 from nnoeabs.peaks (4.57, 8.48, 122.32 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.71: HA LYS 33 + H VAL 32 OK 71 75 100 94 4.7-5.3 ~6515=53, ~1394=53...(9) HB THR 34 - H VAL 32 far 0 77 0 - 9.7-10.0 Violated in 7 structures by 0.04 A. Peak 11116 from nnoeabs.peaks (7.75, 8.49, 120.76 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: H VAL 78 + H VAL 54 OK 100 100 100 100 4.6-5.1 3.0/11101=100...(14) H SER 49 - H VAL 54 far 0 77 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 11118 from nnoeabs.peaks (4.66, 8.50, 125.64 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 55 + H ARG 79 OK 96 98 100 98 2.3-3.1 11117=53, 6915/9697=44...(19) Violated in 0 structures by 0.00 A. Peak 11119 from nnoeabs.peaks (9.20, 8.42, 118.08 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.96: H ILE 56 + H THR 80 OK 96 96 100 100 4.4-4.9 9701/2.9=94...(15) Violated in 0 structures by 0.00 A. Peak 11122 from nnoeabs.peaks (5.40, 8.76, 122.84 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.97: HA LEU 57 + H ARG 81 OK 97 99 100 97 2.9-3.8 6945/10926=48, 9334=33...(25) Violated in 4 structures by 0.03 A. Peak 11124 from nnoeabs.peaks (7.79, 7.84, 122.56 ppm; 2.90 A): 0 out of 2 assignments used, quality = 0.00: H GLU 28 - H LEU 3 far 0 100 0 - 4.6-6.0 H GLU 99 - H LEU 3 far 0 100 0 - 9.9-11.6 Violated in 20 structures by 2.55 A. Peak 11125 from nnoeabs.peaks (8.49, 8.53, 118.16 ppm; 3.43 A): 0 out of 3 assignments used, quality = 0.00: H LEU 2 - H ASN 51 far 0 93 0 - 5.8-7.6 H LYS 53 - H ASN 51 far 0 88 0 - 6.5-7.4 H VAL 54 - H ASN 51 far 0 100 0 - 9.4-10.2 Violated in 20 structures by 2.51 A. Peak 11127 from nnoeabs.peaks (8.65, 8.76, 122.84 ppm; 4.35 A): 0 out of 1 assignment used, quality = 0.00: H LEU 55 - H ARG 81 far 0 97 0 - 7.4-8.6 Violated in 20 structures by 3.77 A. Peak 12269 from nnoeabs.peaks (3.00, 7.55, 122.27 ppm; 4.30 A): 3 out of 5 assignments used, quality = 1.00: HB3 ASP 11 + H LEU 14 OK 100 100 100 100 2.3-2.6 8379=52, 1.8/8377=50...(23) HE2 LYS 13 + H LEU 14 OK 58 61 100 94 4.4-4.9 3.8/6191=47, 3.8/6192=33...(18) HB2 SER 9 + H LEU 14 OK 51 100 55 94 5.2-7.3 8324/626=33...(18) HE2 LYS 12 - H LEU 14 far 0 99 0 - 7.3-9.6 HE3 LYS 12 - H LEU 14 far 0 71 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 12276 from nnoeabs.peaks (0.75, 7.84, 122.56 ppm; 4.59 A): 2 out of 10 assignments used, quality = 0.98: QD2 LEU 27 + H LEU 3 OK 90 91 100 99 2.4-3.9 10132/4.0=61...(13) QD1 LEU 27 + H LEU 3 OK 85 94 95 95 4.2-6.1 10135/6028=39...(12) QG2 ILE 52 - H LEU 3 poor 20 81 30 82 5.0-6.9 12274/4.6=29...(12) QG1 VAL 54 - H LEU 3 far 0 99 0 - 6.9-7.9 QG2 ILE 93 - H LEU 3 far 0 100 0 - 7.6-8.8 QG1 VAL 5 - H LEU 3 far 0 87 0 - 8.4-9.0 QG1 VAL 78 - H LEU 3 far 0 100 0 - 8.8-10.1 QD1 LEU 6 - H LEU 3 far 0 92 0 - 9.1-11.5 QD2 LEU 42 - H LEU 3 far 0 96 0 - 9.5-11.5 QD1 ILE 93 - H LEU 3 far 0 93 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 12286 from nnoeabs.peaks (2.12, 7.80, 119.34 ppm; 4.28 A): 4 out of 7 assignments used, quality = 1.00: HB2 LEU 64 + H LYS 66 OK 98 100 100 98 4.6-5.4 7049/7057=77...(10) HG2 GLU 69 + H LYS 66 OK 76 100 85 90 4.2-7.2 2882/3.0=26...(22) HB3 GLU 62 + H LYS 66 OK 61 75 90 90 5.1-5.9 3.0/7060=77...(9) HB2 GLU 69 + H LYS 66 OK 52 100 60 86 4.9-6.5 3094/3.0=37...(17) HB3 GLU 69 - H LYS 66 far 5 100 5 - 4.9-7.8 HB3 GLU 35 - H LYS 66 far 0 59 0 - 6.1-8.8 HG2 GLU 104 - H LYS 66 far 0 81 0 - 9.8-22.4 Violated in 1 structures by 0.00 A. Peak 12287 from nnoeabs.peaks (2.26, 7.80, 119.34 ppm; 5.08 A): 3 out of 3 assignments used, quality = 1.00: HG2 GLU 62 + H LYS 66 OK 94 100 100 94 4.9-6.6 4.0/7060=80...(10) HG3 GLU 62 + H LYS 66 OK 93 100 100 94 4.0-5.8 4.0/7060=80...(9) HG2 GLU 63 + H LYS 66 OK 56 65 100 85 5.6-6.1 3.8/7061=76...(6) Violated in 0 structures by 0.00 A. Peak 12294 from nnoeabs.peaks (4.33, 7.71, 119.26 ppm; 4.33 A): 1 out of 2 assignments used, quality = 0.75: HA ASN 26 + H ALA 25 OK 75 75 100 100 4.6-4.9 3.0/6409=84...(12) HA GLU 28 - H ALA 25 far 0 96 0 - 7.1-8.1 Violated in 20 structures by 0.40 A. Peak 12303 from nnoeabs.peaks (2.01, 8.19, 117.17 ppm; 3.51 A): 2 out of 6 assignments used, quality = 1.00: QE MET 74 + H GLU 43 OK 100 100 100 100 3.1-4.0 9585=82, 10280/6696=45...(24) HB2 GLU 44 + H GLU 43 OK 57 100 65 88 4.6-6.4 3.9/6704=43, 4.7/6698=29...(9) HB2 ARG 46 - H GLU 43 far 11 73 15 - 4.5-7.1 HB3 GLU 44 - H GLU 43 far 10 100 10 - 4.6-6.4 HB2 LYS 47 - H GLU 43 far 0 61 0 - 7.0-10.3 HB2 GLU 37 - H GLU 43 far 0 79 0 - 8.5-9.8 Violated in 9 structures by 0.09 A. Peak 12304 from nnoeabs.peaks (1.85, 7.44, 111.53 ppm; 6.14 A): 2 out of 5 assignments used, quality = 0.99: HB2 LYS 68 + HE22 GLN 72 OK 94 99 95 100 3.3-7.9 ~9563=59, ~12325=42...(21) HB3 LYS 68 + HE22 GLN 72 OK 82 87 95 100 4.3-7.7 9563/3.5=45, ~12325=42...(21) HB2 GLU 104 - HE22 GLN 72 far 3 61 5 - 7.5-20.1 HB3 GLU 104 - HE22 GLN 72 far 0 88 0 - 8.7-21.2 HB3 LYS 66 - HE22 GLN 72 far 0 97 0 - 9.8-12.5 Violated in 2 structures by 0.04 A. Peak 12339 from nnoeabs.peaks (4.43, 7.47, 116.94 ppm; 5.10 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 48 + H LYS 47 OK 99 100 100 99 4.9-5.5 3.0/6780=96, 4.1/9029=41...(9) HA GLN 50 - H LYS 47 far 0 70 0 - 7.2-10.1 HA ILE 76 - H LYS 47 far 0 100 0 - 7.3-8.9 HA MET 74 - H LYS 47 far 0 79 0 - 7.9-10.1 Violated in 17 structures by 0.28 A. Peak 2 from cnoeabs.peaks (4.16, 4.16, 54.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 1 + HA MET 1 OK 100 100 - 100 Peak 3 from cnoeabs.peaks (1.94, 4.16, 54.51 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 1 + HA MET 1 OK 100 100 100 100 2.2-3.0 3.0=100 QE MET 1 + HA MET 1 OK 62 68 100 92 3.7-4.4 3.3/5=46, 37=36...(16) Violated in 0 structures by 0.00 A. Peak 4 from cnoeabs.peaks (2.00, 4.16, 54.51 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * HB3 MET 1 + HA MET 1 OK 100 100 100 100 2.2-2.9 3.0=100 QE MET 1 + HA MET 1 OK 79 84 100 94 3.7-4.4 37=43, 3.3/5=42...(16) HB2 GLN 50 - HA MET 1 far 0 91 0 - 5.3-9.5 Violated in 0 structures by 0.00 A. Peak 5 from cnoeabs.peaks (2.20, 4.16, 54.51 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.99: * HG2 MET 1 + HA MET 1 OK 99 100 100 99 2.6-3.8 4.2=91, 3.3/37=51...(12) HB3 GLN 50 - HA MET 1 far 4 87 5 - 5.1-9.5 Violated in 0 structures by 0.00 A. Peak 6 from cnoeabs.peaks (2.42, 4.16, 54.51 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: * HG3 MET 1 + HA MET 1 OK 100 100 100 100 2.4-3.6 4.2=100 HG2 GLN 50 - HA MET 1 poor 12 94 35 36 4.7-10.3 9117/9130=9, 9122/8001=9...(6) HG3 GLN 50 - HA MET 1 far 5 98 5 - 6.0-10.9 HG3 GLU 48 - HA MET 1 far 0 99 0 - 6.7-11.1 Violated in 0 structures by 0.00 A. Peak 7 from cnoeabs.peaks (1.98, 4.16, 54.51 ppm; 3.48 A): 3 out of 3 assignments used, quality = 1.00: * QE MET 1 + HA MET 1 OK 96 100 100 96 3.7-4.4 37=52, 3.3/5=41...(16) HB3 MET 1 + HA MET 1 OK 84 84 100 100 2.2-2.9 3.0=100 HB2 MET 1 + HA MET 1 OK 68 68 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 8 from cnoeabs.peaks (8.51, 4.16, 54.51 ppm; 3.50 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 2 + HA MET 1 OK 99 100 100 99 2.1-2.6 3.6=94, 3.0/8002=28...(18) H ASN 51 - HA MET 1 far 0 85 0 - 5.2-8.1 H GLN 50 - HA MET 1 far 0 59 0 - 6.5-9.0 H VAL 54 - HA MET 1 far 0 93 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 9 from cnoeabs.peaks (4.16, 1.94, 32.61 ppm; 3.08 A): 5 out of 14 assignments used, quality = 1.00: * HA MET 1 + HB2 MET 1 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 47 + HB3 LYS 47 OK 70 70 100 100 2.6-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 54 54 100 100 2.3-2.6 3.0=100 HA LYS 73 + HB2 LYS 73 OK 53 53 100 100 3.0-3.0 3.0=100 HA LYS 47 + HB2 LYS 47 OK 50 50 100 100 2.4-3.0 3.0=100 HA GLN 72 - HB2 LYS 73 far 0 57 0 - 5.6-6.0 HA GLU 104 - HB2 LYS 94 far 0 27 0 - 6.4-18.7 HA GLN 72 - HB3 LYS 73 far 0 59 0 - 6.6-6.6 HA GLU 98 - HB2 MET 1 far 0 77 0 - 6.8-11.4 HA GLU 98 - HB2 LYS 94 far 0 28 0 - 7.1-8.7 HA GLU 23 - HB3 LYS 20 far 0 53 0 - 7.2-7.6 HA GLU 99 - HB2 MET 1 far 0 70 0 - 8.0-11.4 HA GLU 99 - HB2 LYS 94 far 0 25 0 - 9.2-11.0 HA GLU 23 - HB2 LYS 94 far 0 42 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 10 from cnoeabs.peaks (1.94, 1.94, 32.61 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB2 MET 1 + HB2 MET 1 OK 100 100 - 100 HB3 LYS 47 + HB3 LYS 47 OK 68 68 - 100 HB3 LYS 20 + HB3 LYS 20 OK 54 54 - 100 HB3 LYS 73 + HB3 LYS 73 OK 53 53 - 100 HB2 LYS 73 + HB2 LYS 73 OK 51 51 - 100 HB2 LYS 47 + HB2 LYS 47 OK 38 38 - 100 HB2 LYS 94 + HB2 LYS 94 OK 37 37 - 100 Peak 11 from cnoeabs.peaks (2.00, 1.94, 32.61 ppm; 2.40 A): 4 out of 32 assignments used, quality = 1.00: * HB3 MET 1 + HB2 MET 1 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 1 + HB2 MET 1 OK 47 84 100 57 1.8-2.7 4.2=18, 37/3.0=13...(8) HB2 LYS 47 + HB3 LYS 47 OK 46 46 100 100 1.8-1.8 1.8=100 HB3 LYS 94 + HB2 LYS 94 OK 36 36 100 100 1.8-1.8 1.8=100 QE MET 74 - HB2 LYS 73 poor 13 58 50 43 2.7-4.6 3366/4.6=10...(15) QE MET 74 - HB3 LYS 73 far 3 59 5 - 3.8-5.5 HB2 LYS 24 - HB3 LYS 20 far 1 25 5 - 3.8-5.2 HB3 LYS 24 - HB3 LYS 20 far 0 25 0 - 4.2-5.8 HB3 MET 74 - HB2 LYS 73 far 0 26 0 - 4.4-5.8 HB2 ARG 46 - HB3 LYS 47 far 0 54 0 - 4.6-7.4 HB3 GLU 44 - HB2 LYS 47 far 0 54 0 - 4.9-8.3 HB2 GLU 44 - HB2 LYS 47 far 0 54 0 - 5.0-8.5 HB3 GLU 44 - HB3 LYS 47 far 0 76 0 - 5.3-7.5 HB2 ARG 46 - HB2 LYS 47 far 0 37 0 - 5.4-7.4 HB3 MET 74 - HB3 LYS 73 far 0 27 0 - 5.4-6.8 HB3 GLU 17 - HB3 LYS 20 far 0 55 0 - 5.7-7.7 HB2 GLU 44 - HB3 LYS 47 far 0 76 0 - 5.8-7.7 HG12 ILE 93 - HB2 LYS 94 far 0 24 0 - 7.0-8.4 HB2 GLN 50 - HB2 MET 1 far 0 91 0 - 7.0-10.7 QE MET 74 - HB2 LYS 47 far 0 54 0 - 7.7-11.7 HB2 GLN 50 - HB3 LYS 47 far 0 63 0 - 7.9-11.3 HB2 ARG 46 - HB2 LYS 73 far 0 40 0 - 8.0-10.9 HB3 GLU 99 - HB2 LYS 94 far 0 24 0 - 8.1-11.2 HB2 GLN 50 - HB2 LYS 47 far 0 44 0 - 8.4-11.4 HB3 MET 74 - HB2 LYS 47 far 0 25 0 - 8.5-12.2 HB2 ARG 46 - HB3 LYS 73 far 0 41 0 - 8.7-11.8 HB3 GLU 99 - HB2 MET 1 far 0 68 0 - 8.8-12.9 HG12 ILE 93 - HB3 LYS 20 far 0 31 0 - 8.8-11.1 QE MET 74 - HB3 LYS 47 far 0 76 0 - 8.8-10.8 HB3 MET 74 - HB3 LYS 47 far 0 37 0 - 9.3-11.3 HB2 GLU 35 - HB2 LYS 73 far 0 57 0 - 9.5-11.1 HB3 GLU 17 - HB2 LYS 94 far 0 44 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 12 from cnoeabs.peaks (2.20, 1.94, 32.61 ppm; 3.41 A): 1 out of 28 assignments used, quality = 1.00: * HG2 MET 1 + HB2 MET 1 OK 100 100 100 100 2.3-2.9 3.0=100 HB2 GLU 95 - HB2 LYS 94 poor 13 44 30 - 3.8-6.3 HB3 GLN 72 - HB2 LYS 73 far 1 30 5 - 4.9-6.4 HG2 GLU 98 - HB2 LYS 94 far 0 38 0 - 5.1-7.1 HG2 GLU 75 - HB3 LYS 73 far 0 43 0 - 5.4-8.0 HG3 GLU 75 - HB3 LYS 73 far 0 45 0 - 5.4-6.4 HB3 GLN 72 - HB3 LYS 73 far 0 31 0 - 5.4-7.5 HB2 GLN 72 - HB2 LYS 73 far 0 32 0 - 5.7-6.5 HG2 GLU 75 - HB2 LYS 73 far 0 42 0 - 5.7-8.1 HG3 GLU 75 - HB2 LYS 73 far 0 44 0 - 5.8-6.5 HB3 GLU 16 - HB3 LYS 20 far 0 33 0 - 6.3-8.2 HG2 GLU 43 - HB2 LYS 73 far 0 55 0 - 6.3-9.2 HB2 GLN 72 - HB3 LYS 73 far 0 33 0 - 6.4-6.8 HG2 GLU 99 - HB2 LYS 94 far 0 34 0 - 6.4-11.4 HG3 GLU 35 - HB2 LYS 73 far 0 58 0 - 7.1-9.8 HG2 GLU 43 - HB2 LYS 47 far 0 52 0 - 7.5-11.2 HG2 GLU 43 - HB3 LYS 73 far 0 56 0 - 7.6-10.3 HG2 GLU 35 - HB2 LYS 73 far 0 58 0 - 7.6-11.0 HB3 GLN 50 - HB2 MET 1 far 0 87 0 - 7.8-11.0 HB3 GLN 50 - HB3 LYS 47 far 0 60 0 - 8.1-11.3 HB3 GLU 75 - HB3 LYS 73 far 0 57 0 - 8.1-9.1 HB3 GLU 75 - HB2 LYS 73 far 0 56 0 - 8.2-8.8 HG3 GLU 35 - HB3 LYS 73 far 0 59 0 - 8.3-10.6 HB3 GLN 50 - HB2 LYS 47 far 0 41 0 - 8.6-11.1 HG2 GLU 43 - HB3 LYS 47 far 0 73 0 - 8.8-10.4 HG2 GLU 35 - HB3 LYS 73 far 0 59 0 - 8.9-12.0 HG2 GLU 98 - HB2 MET 1 far 0 95 0 - 9.0-14.1 HG2 GLU 99 - HB2 MET 1 far 0 88 0 - 9.3-14.1 Violated in 0 structures by 0.00 A. Peak 13 from cnoeabs.peaks (2.42, 1.94, 32.61 ppm; 3.76 A): 2 out of 19 assignments used, quality = 1.00: * HG3 MET 1 + HB2 MET 1 OK 100 100 100 100 2.8-3.0 3.0=100 HG3 GLU 48 + HB3 LYS 47 OK 32 73 75 59 3.8-7.3 6794/6783=42, 760=12...(6) HG3 MET 21 - HB3 LYS 20 poor 19 48 65 61 4.2-7.7 5.1/6325=22, 3.9/957=13...(18) HG3 GLU 48 - HB2 LYS 47 poor 18 51 35 - 3.7-7.1 HB3 MET 21 - HB3 LYS 20 poor 16 47 35 - 4.6-6.0 HG2 GLN 72 - HB2 LYS 73 far 9 57 15 - 3.9-7.2 HG2 GLN 72 - HB3 LYS 73 far 6 58 10 - 4.8-8.0 HG3 MET 21 - HB2 LYS 94 far 2 38 5 - 4.5-8.2 HB3 MET 21 - HB2 LYS 94 far 0 37 0 - 6.2-9.0 HG2 GLN 50 - HB2 MET 1 far 0 94 0 - 6.6-12.0 HG3 GLU 99 - HB2 LYS 94 far 0 36 0 - 6.8-11.6 HG3 GLU 17 - HB3 LYS 20 far 0 53 0 - 6.9-8.9 HG3 GLN 50 - HB2 LYS 47 far 0 50 0 - 7.3-11.5 HG3 GLN 50 - HB2 MET 1 far 0 98 0 - 7.3-12.1 HG2 GLN 50 - HB3 LYS 47 far 0 67 0 - 7.8-11.6 HG3 GLN 50 - HB3 LYS 47 far 0 71 0 - 7.9-11.3 HG2 GLN 50 - HB2 LYS 47 far 0 47 0 - 8.0-11.6 HG3 GLU 99 - HB2 MET 1 far 0 92 0 - 8.1-14.5 HG3 GLU 48 - HB2 MET 1 far 0 99 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 14 from cnoeabs.peaks (1.98, 1.94, 32.61 ppm; diagonal): 4 out of 4 assignments used, quality = 0.96: HB2 MET 1 + HB2 MET 1 OK 68 68 - 100 HB2 LYS 47 + HB2 LYS 47 OK 53 53 - 100 HB3 LYS 73 + HB3 LYS 73 OK 49 49 - 100 HB2 LYS 73 + HB2 LYS 73 OK 49 49 - 100 Reference assignment not found: QE MET 1 - HB2 MET 1 Peak 15 from cnoeabs.peaks (8.51, 1.94, 32.61 ppm; 5.46 A): 1 out of 8 assignments used, quality = 1.00: * H LEU 2 + HB2 MET 1 OK 100 100 100 100 3.5-4.2 4.6=100 H ASN 51 - HB2 MET 1 poor 18 85 25 85 6.7-8.6 ~8003=48, 36/3.0=28...(7) H GLN 50 - HB3 LYS 47 far 0 38 0 - 7.0-9.1 H GLN 50 - HB2 LYS 47 far 0 26 0 - 7.2-9.4 H GLN 50 - HB2 MET 1 far 0 59 0 - 8.4-10.3 H ASN 51 - HB3 LYS 47 far 0 58 0 - 9.5-11.8 H VAL 54 - HB2 MET 1 far 0 93 0 - 9.7-10.6 H ALA 67 - HB2 LYS 73 far 0 39 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 16 from cnoeabs.peaks (4.16, 2.00, 32.61 ppm; 3.54 A): 1 out of 6 assignments used, quality = 1.00: * HA MET 1 + HB3 MET 1 OK 100 100 100 100 2.2-2.9 3.0=100 HA GLU 98 - HB3 LYS 94 far 0 27 0 - 6.1-9.4 HA GLU 104 - HB3 LYS 94 far 0 26 0 - 7.4-17.6 HA GLU 98 - HB3 MET 1 far 0 77 0 - 7.9-12.4 HA GLU 99 - HB3 LYS 94 far 0 24 0 - 8.4-11.0 HA GLU 99 - HB3 MET 1 far 0 70 0 - 8.5-12.4 Violated in 0 structures by 0.00 A. Peak 17 from cnoeabs.peaks (1.94, 2.00, 32.61 ppm; 2.40 A): 3 out of 6 assignments used, quality = 1.00: * HB2 MET 1 + HB3 MET 1 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 94 + HB3 LYS 94 OK 36 36 100 100 1.8-1.8 1.8=100 QE MET 1 + HB3 MET 1 OK 29 68 100 44 1.8-2.6 4.2=18, 31/3.0=10...(7) HB3 LYS 24 - HB3 LYS 94 far 0 34 0 - 7.6-9.5 HB2 GLU 17 - HB3 LYS 94 far 0 43 0 - 9.0-13.5 HB2 LYS 24 - HB3 LYS 94 far 0 34 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 18 from cnoeabs.peaks (2.00, 2.00, 32.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 1 + HB3 MET 1 OK 100 100 - 100 HB3 LYS 94 + HB3 LYS 94 OK 35 35 - 100 Peak 19 from cnoeabs.peaks (2.20, 2.00, 32.61 ppm; 3.46 A): 1 out of 6 assignments used, quality = 1.00: * HG2 MET 1 + HB3 MET 1 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 GLU 98 - HB3 LYS 94 poor 15 37 40 - 4.3-7.7 HB2 GLU 95 - HB3 LYS 94 far 2 42 5 - 4.2-5.7 HG2 GLU 99 - HB3 LYS 94 far 0 33 0 - 6.5-10.4 HB3 GLN 50 - HB3 MET 1 far 0 87 0 - 6.5-10.9 HG2 GLU 99 - HB3 MET 1 far 0 88 0 - 8.7-14.8 Violated in 0 structures by 0.00 A. Peak 20 from cnoeabs.peaks (2.42, 2.00, 32.61 ppm; 3.70 A): 1 out of 8 assignments used, quality = 1.00: * HG3 MET 1 + HB3 MET 1 OK 100 100 100 100 2.2-2.6 3.0=100 HG3 MET 21 - HB3 LYS 94 far 0 37 0 - 5.2-8.1 HG2 GLN 50 - HB3 MET 1 far 0 94 0 - 5.6-11.1 HB3 MET 21 - HB3 LYS 94 far 0 36 0 - 5.8-8.5 HG3 GLU 99 - HB3 LYS 94 far 0 35 0 - 6.1-10.6 HG3 GLN 50 - HB3 MET 1 far 0 98 0 - 6.6-11.3 HG3 GLU 48 - HB3 MET 1 far 0 99 0 - 7.8-12.9 HG3 GLU 99 - HB3 MET 1 far 0 92 0 - 9.4-15.2 Violated in 0 structures by 0.00 A. Peak 21 from cnoeabs.peaks (1.98, 2.00, 32.61 ppm; diagonal): 1 out of 1 assignment used, quality = 0.84: HB3 MET 1 + HB3 MET 1 OK 84 84 - 100 Reference assignment not found: QE MET 1 - HB3 MET 1 Peak 22 from cnoeabs.peaks (8.51, 2.00, 32.61 ppm; 5.52 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 2 + HB3 MET 1 OK 100 100 100 100 2.5-4.5 4.6=100 H ASN 51 + HB3 MET 1 OK 49 85 60 96 5.0-8.4 ~8003=49, 4.0/9111=31...(15) H GLN 50 - HB3 MET 1 far 0 59 0 - 7.2-10.2 H VAL 54 - HB3 MET 1 far 0 93 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 23 from cnoeabs.peaks (4.16, 2.20, 30.51 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 1 + HG2 MET 1 OK 100 100 100 100 2.6-3.8 4.2=100 HA GLU 98 - HG2 MET 1 far 0 77 0 - 7.6-11.6 HA GLU 99 - HG2 MET 1 far 0 70 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 24 from cnoeabs.peaks (1.94, 2.20, 30.51 ppm; 3.43 A): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 1 + HG2 MET 1 OK 100 100 100 100 2.3-2.9 3.0=100 QE MET 1 + HG2 MET 1 OK 68 68 100 100 2.6-3.4 3.3=100 Violated in 0 structures by 0.00 A. Peak 25 from cnoeabs.peaks (2.00, 2.20, 30.51 ppm; 3.17 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 1 + HG2 MET 1 OK 100 100 100 100 2.8-3.0 3.0=100 QE MET 1 + HG2 MET 1 OK 82 84 100 98 2.6-3.4 3.3=86, 32/1.8=30...(18) HB2 GLN 50 - HG2 MET 1 far 0 91 0 - 6.8-11.9 HB3 GLU 99 - HG2 MET 1 far 0 68 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 26 from cnoeabs.peaks (2.20, 2.20, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 1 + HG2 MET 1 OK 100 100 - 100 Peak 27 from cnoeabs.peaks (2.42, 2.20, 30.51 ppm; 2.70 A): 1 out of 5 assignments used, quality = 1.00: * HG3 MET 1 + HG2 MET 1 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 50 - HG2 MET 1 far 0 94 0 - 5.8-12.2 HG3 GLN 50 - HG2 MET 1 far 0 98 0 - 7.2-13.0 HG3 GLU 48 - HG2 MET 1 far 0 99 0 - 7.6-11.7 HG3 GLU 99 - HG2 MET 1 far 0 92 0 - 8.1-13.0 Violated in 0 structures by 0.00 A. Peak 28 from cnoeabs.peaks (1.98, 2.20, 30.51 ppm; 3.18 A): 3 out of 3 assignments used, quality = 1.00: * QE MET 1 + HG2 MET 1 OK 99 100 100 99 2.6-3.4 3.3=87, 8026/8018=28...(19) HB3 MET 1 + HG2 MET 1 OK 84 84 100 100 2.8-3.0 3.0=100 HB2 MET 1 + HG2 MET 1 OK 68 68 100 100 2.3-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 29 from cnoeabs.peaks (8.51, 2.20, 30.51 ppm; 4.93 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 2 + HG2 MET 1 OK 100 100 100 100 2.0-4.1 6006=100, 8/5=75...(13) H ASN 51 + HG2 MET 1 OK 25 85 35 84 5.3-9.0 ~8032=39, 36/1.8=28...(10) H GLN 50 - HG2 MET 1 far 0 59 0 - 7.1-10.4 H VAL 54 - HG2 MET 1 far 0 93 0 - 7.5-10.9 Violated in 0 structures by 0.00 A. Peak 30 from cnoeabs.peaks (4.16, 2.42, 30.51 ppm; 4.64 A): 1 out of 3 assignments used, quality = 1.00: * HA MET 1 + HG3 MET 1 OK 100 100 100 100 2.4-3.6 4.2=100 HA GLU 98 - HG3 MET 1 far 0 77 0 - 7.9-11.9 HA GLU 99 - HG3 MET 1 far 0 70 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 31 from cnoeabs.peaks (1.94, 2.42, 30.51 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 1 + HG3 MET 1 OK 100 100 100 100 2.8-3.0 3.0=100 QE MET 1 + HG3 MET 1 OK 67 68 100 100 2.5-3.4 3.3=100 Violated in 0 structures by 0.00 A. Peak 32 from cnoeabs.peaks (2.00, 2.42, 30.51 ppm; 3.30 A): 2 out of 4 assignments used, quality = 1.00: * HB3 MET 1 + HG3 MET 1 OK 100 100 100 100 2.2-2.6 3.0=100 QE MET 1 + HG3 MET 1 OK 84 84 100 100 2.5-3.4 3.3=97, 25/1.8=33...(22) HB2 GLN 50 - HG3 MET 1 far 0 91 0 - 6.8-10.4 HB3 GLU 99 - HG3 MET 1 far 0 68 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 33 from cnoeabs.peaks (2.20, 2.42, 30.51 ppm; 2.60 A): 1 out of 3 assignments used, quality = 1.00: * HG2 MET 1 + HG3 MET 1 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLN 50 - HG3 MET 1 far 0 87 0 - 6.1-10.5 HG2 GLU 99 - HG3 MET 1 far 0 88 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 34 from cnoeabs.peaks (2.42, 2.42, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 1 + HG3 MET 1 OK 100 100 - 100 Peak 35 from cnoeabs.peaks (1.98, 2.42, 30.51 ppm; 3.23 A): 3 out of 3 assignments used, quality = 1.00: * QE MET 1 + HG3 MET 1 OK 99 100 100 99 2.5-3.4 3.3=91, 8026/8022=30...(24) HB3 MET 1 + HG3 MET 1 OK 84 84 100 100 2.2-2.6 3.0=100 HB2 MET 1 + HG3 MET 1 OK 68 68 100 100 2.8-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 36 from cnoeabs.peaks (8.51, 2.42, 30.51 ppm; 5.26 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 2 + HG3 MET 1 OK 100 100 100 100 1.9-3.9 6006/1.8=88, 8/4.2=80...(15) H ASN 51 + HG3 MET 1 OK 63 85 80 92 5.2-8.1 ~8032=46, 4.0/10633=28...(14) H GLN 50 - HG3 MET 1 far 0 59 0 - 7.0-9.2 H VAL 54 - HG3 MET 1 far 0 93 0 - 7.0-9.4 Violated in 0 structures by 0.00 A. Peak 37 from cnoeabs.peaks (4.16, 1.98, 16.19 ppm; 4.31 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 1 + QE MET 1 OK 100 100 100 100 3.7-4.4 5/3.3=63, 5.3=54...(17) HA GLU 98 - QE MET 1 poor 15 77 20 - 5.3-10.1 HA GLU 99 - QE MET 1 far 10 70 15 - 5.4-9.1 HA GLU 104 - QE MET 1 far 0 75 0 - 9.1-14.7 Violated in 4 structures by 0.01 A. Peak 38 from cnoeabs.peaks (1.94, 1.98, 16.19 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: QE MET 1 + QE MET 1 OK 68 68 - 100 Reference assignment not found: HB2 MET 1 - QE MET 1 Peak 39 from cnoeabs.peaks (2.00, 1.98, 16.19 ppm; diagonal): 1 out of 1 assignment used, quality = 0.84: QE MET 1 + QE MET 1 OK 84 84 - 100 Reference assignment not found: HB3 MET 1 - QE MET 1 Peak 40 from cnoeabs.peaks (2.20, 1.98, 16.19 ppm; 4.21 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 1 + QE MET 1 OK 100 100 100 100 2.6-3.4 3.3=100 HG2 GLU 99 - QE MET 1 far 4 88 5 - 5.6-11.0 HB3 GLN 50 - QE MET 1 far 0 87 0 - 6.6-9.8 HG2 GLU 98 - QE MET 1 far 0 95 0 - 7.5-12.3 Violated in 0 structures by 0.00 A. Peak 41 from cnoeabs.peaks (2.42, 1.98, 16.19 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * HG3 MET 1 + QE MET 1 OK 100 100 100 100 2.5-3.4 3.3=100 HG3 GLU 99 - QE MET 1 far 5 92 5 - 4.9-11.2 HG2 GLN 50 - QE MET 1 far 0 94 0 - 5.9-10.6 HG3 GLN 50 - QE MET 1 far 0 98 0 - 6.3-10.8 HG3 GLU 48 - QE MET 1 far 0 99 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 42 from cnoeabs.peaks (1.98, 1.98, 16.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 1 + QE MET 1 OK 100 100 - 100 Peak 43 from cnoeabs.peaks (8.51, 1.98, 16.19 ppm; 4.90 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 2 + QE MET 1 OK 100 100 100 100 3.1-5.1 8/37=70, 6006/3.3=63...(23) H ASN 51 + QE MET 1 OK 64 85 75 100 4.8-7.3 3.0/8032=81, 4.0/8030=65...(15) H VAL 54 - QE MET 1 far 9 93 10 - 6.2-7.7 H GLN 50 - QE MET 1 far 0 59 0 - 6.7-9.0 H ARG 79 - QE MET 1 far 0 99 0 - 9.2-11.0 Violated in 1 structures by 0.00 A. Peak 44 from cnoeabs.peaks (8.51, 4.46, 54.47 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HA LEU 2 OK 100 100 100 100 2.7-2.9 3.0=100 H GLN 50 - HA LEU 2 far 0 59 0 - 7.8-10.7 H ASN 51 - HA LEU 2 far 0 85 0 - 8.0-10.0 H VAL 54 - HA LEU 2 far 0 93 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 45 from cnoeabs.peaks (4.46, 4.46, 54.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 2 + HA LEU 2 OK 100 100 - 100 Peak 46 from cnoeabs.peaks (1.70, 4.46, 54.47 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 2 + HA LEU 2 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 52 + HA LEU 2 OK 30 75 40 100 5.0-6.7 78/77=29, 3.0/8045=28...(30) HB3 LYS 53 - HA LEU 2 far 5 96 5 - 5.2-8.6 Violated in 0 structures by 0.00 A. Peak 47 from cnoeabs.peaks (1.33, 4.46, 54.47 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 2 + HA LEU 2 OK 100 100 100 100 2.3-2.5 3.0=100 HG LEU 3 + HA LEU 2 OK 65 70 100 93 3.4-4.3 2.1/8050=41, 5.0/6018=33...(15) HB3 LEU 27 - HA LEU 2 far 0 99 0 - 6.1-7.9 QB ALA 25 - HA LEU 2 far 0 100 0 - 7.2-9.0 Violated in 0 structures by 0.00 A. Peak 48 from cnoeabs.peaks (1.51, 4.46, 54.47 ppm; 4.11 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 2 + HA LEU 2 OK 100 100 100 100 2.5-4.3 3.7=100 HB2 LEU 3 + HA LEU 2 OK 54 61 90 98 4.3-5.6 4.0/6018=61, 3.1/8050=48...(15) HD3 LYS 53 - HA LEU 2 far 0 63 0 - 7.2-9.9 Violated in 0 structures by 0.00 A. Peak 49 from cnoeabs.peaks (0.81, 4.46, 54.47 ppm; 3.33 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 2 + HA LEU 2 OK 100 100 100 100 2.2-4.1 77=100, 83/6018=41...(13) QG2 ILE 52 - HA LEU 2 far 0 77 0 - 5.1-6.9 Violated in 19 structures by 0.19 A. Peak 50 from cnoeabs.peaks (0.88, 4.46, 54.47 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + HA LEU 2 OK 100 100 100 100 3.3-4.1 4.0=100 QG2 ILE 76 - HA LEU 2 far 0 100 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 51 from cnoeabs.peaks (7.84, 4.46, 54.47 ppm; 3.07 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + HA LEU 2 OK 100 100 100 100 2.2-2.5 6018=100, 83/77=33...(11) H ASN 26 - HA LEU 2 far 0 100 0 - 8.6-10.8 Violated in 0 structures by 0.00 A. Peak 52 from cnoeabs.peaks (8.51, 1.70, 43.59 ppm; 4.57 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.4-3.6 4.0=100 H GLN 50 - HB2 LEU 2 poor 12 59 20 - 5.2-9.6 H ASN 51 - HB2 LEU 2 far 0 85 0 - 6.3-9.4 H VAL 54 - HB2 LEU 2 far 0 93 0 - 6.7-10.4 Violated in 0 structures by 0.00 A. Peak 53 from cnoeabs.peaks (4.46, 1.70, 43.59 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 48 - HB2 LEU 2 far 0 68 0 - 7.6-10.7 HA ILE 76 - HB2 LEU 2 far 0 68 0 - 8.8-13.4 Violated in 0 structures by 0.00 A. Peak 54 from cnoeabs.peaks (1.70, 1.70, 43.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 2 + HB2 LEU 2 OK 100 100 - 100 Peak 55 from cnoeabs.peaks (1.33, 1.70, 43.59 ppm; 2.85 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 2 + HB2 LEU 2 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 3 - HB2 LEU 2 far 0 70 0 - 5.0-6.0 HB3 LEU 27 - HB2 LEU 2 far 0 99 0 - 6.7-9.2 QB ALA 25 - HB2 LEU 2 far 0 100 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 56 from cnoeabs.peaks (1.51, 1.70, 43.59 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 3 - HB2 LEU 2 far 0 61 0 - 5.6-7.5 HD3 LYS 53 - HB2 LEU 2 far 0 63 0 - 6.3-10.8 Violated in 0 structures by 0.00 A. Peak 57 from cnoeabs.peaks (0.81, 1.70, 43.59 ppm; 3.68 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.3-3.2 3.1=100 QG2 ILE 52 + HB2 LEU 2 OK 65 77 85 100 3.6-5.9 3.2/8051=42...(47) QD1 ILE 76 - HB2 LEU 2 far 0 99 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 58 from cnoeabs.peaks (0.88, 1.70, 43.59 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + HB2 LEU 2 OK 100 100 100 100 2.1-2.5 3.1=100 QG2 ILE 76 - HB2 LEU 2 far 0 100 0 - 6.0-9.8 Violated in 0 structures by 0.00 A. Peak 59 from cnoeabs.peaks (7.84, 1.70, 43.59 ppm; 4.68 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + HB2 LEU 2 OK 100 100 100 100 2.9-4.2 4.6=100 H ASN 26 - HB2 LEU 2 far 0 100 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 60 from cnoeabs.peaks (8.51, 1.33, 43.59 ppm; 4.78 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.5-3.8 4.0=100 H GLN 50 - HB3 LEU 2 far 0 59 0 - 6.5-10.4 H ASN 51 - HB3 LEU 2 far 0 85 0 - 7.1-10.3 H VAL 54 - HB3 LEU 2 far 0 93 0 - 7.7-10.5 Violated in 0 structures by 0.00 A. Peak 61 from cnoeabs.peaks (4.46, 1.33, 43.59 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.3-2.5 3.0=100 HA GLU 48 - HB3 LEU 2 far 0 68 0 - 8.2-11.6 HA ILE 76 - HB3 LEU 2 far 0 68 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 62 from cnoeabs.peaks (1.70, 1.33, 43.59 ppm; 2.85 A): 2 out of 3 assignments used, quality = 1.00: * HB2 LEU 2 + HB3 LEU 2 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 52 + HB3 LEU 2 OK 32 75 45 96 3.4-6.2 3.0/8047=18, 3.0/8052=18...(40) HB3 LYS 53 - HB3 LEU 2 far 0 96 0 - 5.6-9.3 Violated in 0 structures by 0.00 A. Peak 63 from cnoeabs.peaks (1.33, 1.33, 43.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 2 + HB3 LEU 2 OK 100 100 - 100 Peak 64 from cnoeabs.peaks (1.51, 1.33, 43.59 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HG LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 3 - HB3 LEU 2 far 0 61 0 - 4.9-6.8 HD3 LYS 53 - HB3 LEU 2 far 0 63 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 65 from cnoeabs.peaks (0.81, 1.33, 43.59 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * QD2 LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 ILE 52 + HB3 LEU 2 OK 50 77 65 99 4.0-5.7 3.2/8047=30, 3.2/8052=29...(50) QD1 ILE 76 - HB3 LEU 2 far 0 99 0 - 8.8-12.3 QD1 LEU 6 - HB3 LEU 2 far 0 61 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 66 from cnoeabs.peaks (0.88, 1.33, 43.59 ppm; 3.53 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + HB3 LEU 2 OK 100 100 100 100 2.2-3.2 3.1=100 QG2 ILE 76 - HB3 LEU 2 far 0 100 0 - 6.6-10.0 Violated in 0 structures by 0.00 A. Peak 67 from cnoeabs.peaks (7.84, 1.33, 43.59 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 3 + HB3 LEU 2 OK 99 100 100 99 2.2-4.1 6018/3.0=79, 4.6=69...(13) H ASN 26 - HB3 LEU 2 far 0 100 0 - 9.2-11.7 Violated in 1 structures by 0.00 A. Peak 68 from cnoeabs.peaks (8.51, 1.51, 26.80 ppm; 4.11 A): 4 out of 18 assignments used, quality = 1.00: * H LEU 2 + HG LEU 2 OK 99 100 100 99 3.0-4.0 6012=88, ~77=43, ~49=42...(12) H ARG 79 + HG2 ARG 79 OK 81 81 100 100 2.7-5.1 4.7=69, 7289/3.0=64...(21) H ARG 79 + HG3 ARG 79 OK 79 79 100 100 2.0-5.1 4.7=69, 7289/3.0=64...(21) H THR 31 + HG3 ARG 30 OK 51 51 100 100 4.0-4.6 6493/2.9=67, 6496=65...(13) H GLN 50 - HG LEU 2 poor 15 59 25 - 5.5-8.6 H VAL 54 - HG2 ARG 79 poor 15 74 20 - 3.5-7.7 H VAL 54 - HG3 ARG 79 poor 14 71 20 - 3.9-8.1 H ASN 51 - HG LEU 2 far 4 85 5 - 5.2-8.9 H THR 31 - HG LEU 6 far 4 82 5 - 4.5-7.6 H VAL 32 - HG LEU 6 far 3 62 5 - 4.7-7.8 H ARG 79 - HG LEU 6 far 0 84 0 - 5.8-9.2 H VAL 54 - HG LEU 6 far 0 76 0 - 6.4-10.4 H VAL 54 - HG LEU 2 far 0 93 0 - 7.0-10.3 H VAL 32 - HG3 ARG 30 far 0 37 0 - 7.6-8.4 H VAL 58 - HG2 ARG 79 far 0 54 0 - 8.2-11.7 H VAL 58 - HG LEU 6 far 0 55 0 - 8.6-10.0 H ALA 67 - HG LEU 6 far 0 62 0 - 8.6-10.4 H VAL 58 - HG3 ARG 79 far 0 52 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 69 from cnoeabs.peaks (4.46, 1.51, 26.80 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 2 + HG LEU 2 OK 100 100 100 100 2.5-4.3 3.7=100 HA GLU 48 - HG LEU 2 far 0 68 0 - 6.8-9.3 HA ILE 76 - HG2 ARG 79 far 0 50 0 - 9.1-12.6 HA ILE 76 - HG LEU 2 far 0 68 0 - 9.3-12.3 Violated in 0 structures by 0.00 A. Peak 70 from cnoeabs.peaks (1.70, 1.51, 26.80 ppm; 3.04 A): 2 out of 17 assignments used, quality = 1.00: * HB2 LEU 2 + HG LEU 2 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 52 + HG LEU 2 OK 66 75 90 97 1.8-5.4 86/2.1=23, 78/2.1=22...(40) HB3 LYS 53 - HG2 ARG 79 far 4 77 5 - 4.4-8.2 HD2 ARG 81 - HG3 ARG 79 far 3 65 5 - 4.4-8.5 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 4.7-9.0 HD2 ARG 81 - HG2 ARG 79 far 0 67 0 - 4.7-9.1 HB3 LYS 53 - HG LEU 2 far 0 96 0 - 6.2-9.5 HD3 LYS 33 - HG LEU 6 far 0 71 0 - 7.5-11.9 HB3 LYS 40 - HG LEU 6 far 0 77 0 - 8.2-10.3 HB3 LYS 53 - HG LEU 6 far 0 79 0 - 8.5-12.1 HD2 LYS 33 - HG LEU 6 far 0 71 0 - 8.8-13.4 HB3 LEU 70 - HG LEU 6 far 0 81 0 - 8.9-11.5 HG12 ILE 15 - HG LEU 6 far 0 85 0 - 9.0-11.7 HD3 LYS 33 - HG3 ARG 30 far 0 43 0 - 9.1-11.4 HG LEU 70 - HG LEU 6 far 0 86 0 - 9.2-11.4 HB3 LYS 40 - HG3 ARG 30 far 0 47 0 - 9.3-11.1 HB ILE 52 - HG LEU 6 far 0 59 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 71 from cnoeabs.peaks (1.33, 1.51, 26.80 ppm; 2.98 A): 3 out of 30 assignments used, quality = 1.00: * HB3 LEU 2 + HG LEU 2 OK 99 100 100 99 2.4-3.0 3.0=99 HB3 ARG 30 + HG3 ARG 30 OK 27 27 100 100 2.7-2.9 2.9=100 HG2 ARG 30 + HG3 ARG 30 OK 26 26 100 100 1.8-1.8 1.8=100 HB3 ARG 30 - HG LEU 6 poor 19 47 40 - 3.4-5.9 HG2 ARG 30 - HG LEU 6 far 0 45 0 - 4.7-6.2 HG LEU 3 - HG LEU 2 far 0 70 0 - 4.7-7.1 QB ALA 67 - HG LEU 6 far 0 86 0 - 4.9-6.5 HG12 ILE 8 - HG LEU 6 far 0 60 0 - 5.6-7.2 HB3 LEU 42 - HG LEU 6 far 0 60 0 - 5.7-8.7 HG3 LYS 68 - HG3 ARG 79 far 0 75 0 - 7.3-11.0 HB3 LEU 27 - HG LEU 2 far 0 99 0 - 7.3-9.6 QB ALA 67 - HG2 ARG 79 far 0 84 0 - 7.5-10.4 HB3 LEU 27 - HG3 ARG 30 far 0 52 0 - 7.6-9.4 HG3 LYS 68 - HG2 ARG 79 far 0 77 0 - 7.6-10.7 QB ALA 67 - HG3 ARG 79 far 0 82 0 - 7.7-9.6 HB2 LEU 70 - HG LEU 6 far 0 50 0 - 8.0-10.2 HB3 LEU 27 - HG LEU 6 far 0 83 0 - 8.1-10.3 HB2 LYS 82 - HG2 ARG 79 far 0 81 0 - 8.9-12.6 QB ALA 89 - HG LEU 6 far 0 86 0 - 9.0-10.3 HG LEU 3 - HG2 ARG 79 far 0 52 0 - 9.1-12.8 HG LEU 3 - HG3 ARG 79 far 0 50 0 - 9.2-12.9 HG12 ILE 8 - HG3 ARG 30 far 0 36 0 - 9.3-10.8 HG2 LYS 39 - HG LEU 6 far 0 82 0 - 9.5-12.4 HB2 LYS 82 - HG3 ARG 79 far 0 79 0 - 9.5-12.5 HG3 LYS 40 - HG LEU 6 far 0 67 0 - 9.6-12.0 QB ALA 89 - HG2 ARG 79 far 0 83 0 - 9.7-11.7 QB ALA 67 - HG3 ARG 30 far 0 55 0 - 9.7-11.4 QB ALA 25 - HG LEU 2 far 0 100 0 - 9.8-11.0 HB3 LEU 42 - HG3 ARG 79 far 0 57 0 - 9.8-13.3 HG3 LYS 40 - HG3 ARG 30 far 0 40 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 72 from cnoeabs.peaks (1.51, 1.51, 26.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG LEU 2 + HG LEU 2 OK 100 100 - 100 HG LEU 6 + HG LEU 6 OK 84 84 - 100 HG2 ARG 79 + HG2 ARG 79 OK 74 74 - 100 HG3 ARG 79 + HG3 ARG 79 OK 70 70 - 100 HG3 ARG 30 + HG3 ARG 30 OK 50 50 - 100 Peak 73 from cnoeabs.peaks (0.81, 1.51, 26.80 ppm; 2.97 A): 6 out of 46 assignments used, quality = 1.00: * QD2 LEU 2 + HG LEU 2 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 52 + HG LEU 2 OK 51 77 70 95 1.8-6.1 2.1/70=24, 89/2.1=21...(30) QD1 LEU 6 + HG LEU 6 OK 47 47 100 100 2.1-2.1 2.1=100 QD2 LEU 103 + HG2 ARG 79 OK 36 75 80 60 2.3-10.6 4501=17, 2.1/4493=11...(18) QD2 LEU 103 + HG3 ARG 79 OK 27 73 65 58 1.9-11.9 4501=13, 4501/1.8=12...(17) QG2 VAL 32 + HG LEU 6 OK 25 71 45 77 2.5-4.8 10160/3.0=28...(14) QD2 LEU 38 - HG LEU 6 far 8 81 10 - 3.2-7.8 QD1 LEU 6 - HG3 ARG 30 poor 7 27 25 - 3.9-6.0 QD2 LEU 57 - HG2 ARG 79 far 0 79 0 - 4.9-7.7 QG2 ILE 7 - HG LEU 6 far 0 84 0 - 5.1-7.2 QD1 LEU 57 - HG3 ARG 79 far 0 71 0 - 5.2-7.9 QD2 LEU 57 - HG LEU 6 far 0 82 0 - 5.3-7.0 QD2 LEU 57 - HG3 ARG 79 far 0 77 0 - 5.7-7.5 QD1 LEU 57 - HG2 ARG 79 far 0 74 0 - 5.9-8.2 QG2 VAL 32 - HG3 ARG 30 far 0 43 0 - 6.0-6.7 QD1 ILE 76 - HG LEU 6 far 0 85 0 - 6.5-9.0 QG2 ILE 8 - HG LEU 6 far 0 72 0 - 6.5-8.7 QG2 ILE 7 - HG3 ARG 30 far 0 52 0 - 6.6-7.4 QG2 ILE 15 - HG3 ARG 30 far 0 55 0 - 6.8-8.0 QG2 ILE 15 - HG LEU 6 far 0 87 0 - 7.1-9.4 QD1 LEU 70 - HG LEU 6 far 0 85 0 - 7.1-10.9 QD1 LEU 57 - HG LEU 6 far 0 76 0 - 7.3-9.1 QG2 ILE 52 - HG3 ARG 79 far 0 57 0 - 7.4-13.2 QD1 ILE 93 - HG LEU 6 far 0 45 0 - 7.5-9.3 QG2 ILE 52 - HG2 ARG 79 far 0 58 0 - 7.6-13.2 QD2 LEU 38 - HG3 ARG 30 far 0 50 0 - 7.8-11.0 QD2 LEU 57 - HG3 ARG 30 far 0 51 0 - 7.8-10.3 QD1 ILE 93 - HG3 ARG 30 far 0 26 0 - 7.8-8.8 QG2 ILE 52 - HG LEU 6 far 0 60 0 - 8.1-12.3 QD1 ILE 76 - HG LEU 2 far 0 99 0 - 8.1-11.1 QD1 LEU 6 - HG2 ARG 79 far 0 45 0 - 8.1-12.3 QD2 LEU 2 - HG LEU 6 far 0 87 0 - 8.1-12.3 QD2 LEU 70 - HG LEU 6 far 0 87 0 - 8.6-11.3 QD1 ILE 93 - HG2 ARG 79 far 0 44 0 - 8.6-11.3 QD2 LEU 103 - HG LEU 6 far 0 77 0 - 8.7-18.0 QD1 ILE 76 - HG2 ARG 79 far 0 82 0 - 8.9-11.6 QD1 ILE 76 - HG3 ARG 79 far 0 80 0 - 8.9-11.7 QD1 LEU 6 - HG3 ARG 79 far 0 44 0 - 8.9-11.7 QD2 LEU 38 - HG3 ARG 79 far 0 76 0 - 8.9-13.3 QD2 LEU 38 - HG2 ARG 79 far 0 78 0 - 8.9-13.6 QD1 ILE 93 - HG3 ARG 79 far 0 42 0 - 9.1-11.3 QD2 LEU 2 - HG3 ARG 30 far 0 55 0 - 9.1-12.8 QG2 VAL 32 - HG2 ARG 79 far 0 69 0 - 9.8-12.8 QD1 ILE 76 - HG3 ARG 30 far 0 53 0 - 9.8-11.6 QD1 LEU 6 - HG LEU 2 far 0 61 0 - 9.9-13.5 QD2 LEU 2 - HG2 ARG 79 far 0 84 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 74 from cnoeabs.peaks (0.88, 1.51, 26.80 ppm; 3.25 A): 3 out of 22 assignments used, quality = 1.00: * QD1 LEU 2 + HG LEU 2 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 103 + HG2 ARG 79 OK 32 75 65 66 2.0-10.6 2.1/4501=14, 2.1/4493=13...(20) QD1 LEU 103 + HG3 ARG 79 OK 28 73 60 64 2.2-11.9 4509=13, 2.1/4493=13...(19) QG1 VAL 32 - HG LEU 6 far 3 68 5 - 4.7-7.0 QD1 LEU 38 - HG LEU 6 lone 3 72 45 9 3.3-7.5 10231/3.0=3, 10549/8231=1 HG13 ILE 8 - HG LEU 6 far 0 86 0 - 5.0-7.9 QG2 ILE 76 - HG LEU 2 far 0 100 0 - 6.2-9.0 QG2 ILE 76 - HG LEU 6 far 0 87 0 - 6.9-9.4 QG2 ILE 76 - HG2 ARG 79 far 0 84 0 - 7.0-9.9 QG2 ILE 76 - HG3 ARG 79 far 0 82 0 - 7.3-10.1 QD2 LEU 64 - HG2 ARG 79 far 0 72 0 - 7.5-11.0 QG1 VAL 32 - HG3 ARG 30 far 0 41 0 - 7.7-8.5 QD2 LEU 64 - HG3 ARG 79 far 0 70 0 - 7.8-11.0 QD1 LEU 38 - HG3 ARG 30 far 0 44 0 - 7.9-11.0 HG13 ILE 7 - HG LEU 6 far 0 83 0 - 7.9-9.8 QD1 LEU 38 - HG3 ARG 79 far 0 68 0 - 9.0-12.1 QD1 LEU 103 - HG LEU 6 far 0 77 0 - 9.1-18.4 HG13 ILE 8 - HG3 ARG 30 far 0 54 0 - 9.4-11.2 QD1 LEU 38 - HG2 ARG 79 far 0 70 0 - 9.5-12.5 HG13 ILE 7 - HG3 ARG 30 far 0 52 0 - 9.7-10.6 QD1 LEU 2 - HG3 ARG 30 far 0 55 0 - 9.7-13.6 QD1 LEU 2 - HG LEU 6 far 0 87 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 75 from cnoeabs.peaks (7.84, 1.51, 26.80 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 3 + HG LEU 2 OK 100 100 100 100 3.7-4.8 83/2.1=96, 6018/3.7=91...(13) H TYR 41 - HG LEU 6 poor 18 73 30 84 6.0-8.1 8870/2.1=34, 8869/2.1=31...(9) H TYR 41 - HG3 ARG 30 far 0 45 0 - 8.0-9.8 H SER 9 - HG LEU 6 far 0 55 0 - 8.3-10.8 Violated in 0 structures by 0.00 A. Peak 76 from cnoeabs.peaks (8.51, 0.81, 23.49 ppm; 5.29 A): 3 out of 9 assignments used, quality = 1.00: * H LEU 2 + QD2 LEU 2 OK 100 100 100 100 1.7-4.3 4.7=100 H ASN 51 + QD2 LEU 2 OK 75 85 90 98 2.8-6.9 5.7/9121=33, 4.6/8058=31...(23) H GLN 50 + QD2 LEU 2 OK 48 59 85 95 3.6-7.8 4.0/8058=35...(20) H VAL 54 - QD2 LEU 103 poor 17 49 35 - 5.8-11.6 H ARG 79 - QD2 LEU 103 poor 13 55 70 34 4.1-13.4 ~3498=10, 4.7/73=10...(6) H VAL 54 - QD2 LEU 2 poor 9 93 25 40 5.1-9.0 4.7/6870=19, 3.6/9199=8...(8) H VAL 58 - QD2 LEU 103 far 0 34 0 - 7.3-18.7 H ARG 79 - QD2 LEU 2 far 0 99 0 - 8.1-12.5 H ALA 67 - QD2 LEU 103 far 0 39 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 77 from cnoeabs.peaks (4.46, 0.81, 23.49 ppm; 3.19 A): 1 out of 4 assignments used, quality = 0.97: * HA LEU 2 + QD2 LEU 2 OK 97 100 100 97 2.2-4.1 49=88, 6018/83=38...(13) HA GLU 48 - QD2 LEU 2 far 0 68 0 - 4.8-8.4 HA ILE 76 - QD2 LEU 2 far 0 68 0 - 7.8-10.8 HA ILE 76 - QD2 LEU 103 far 0 32 0 - 7.9-15.9 Violated in 19 structures by 0.32 A. Peak 78 from cnoeabs.peaks (1.70, 0.81, 23.49 ppm; 3.35 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 2 + QD2 LEU 2 OK 100 100 100 100 2.3-3.2 3.1=100 HB ILE 52 + QD2 LEU 2 OK 71 75 95 99 1.7-5.2 3.0/12040=40, 70/2.1=29...(45) HB3 LYS 53 - QD2 LEU 2 poor 19 96 20 - 4.6-8.3 HD2 ARG 81 - QD2 LEU 103 poor 9 44 20 - 3.5-15.3 HB3 LYS 53 - QD2 LEU 103 far 0 51 0 - 5.2-10.0 HD3 LYS 47 - QD2 LEU 2 far 0 92 0 - 6.8-12.7 HB3 ARG 91 - QD2 LEU 103 far 0 49 0 - 7.1-15.0 HD2 LYS 47 - QD2 LEU 2 far 0 91 0 - 8.1-13.4 Violated in 0 structures by 0.00 A. Peak 79 from cnoeabs.peaks (1.33, 0.81, 23.49 ppm; 3.21 A): 2 out of 16 assignments used, quality = 1.00: * HB3 LEU 2 + QD2 LEU 2 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 3 + QD2 LEU 2 OK 27 70 65 60 3.8-6.6 5.0/83=22, 47/77=16...(14) HG3 LYS 68 - QD2 LEU 103 far 0 51 0 - 5.3-18.8 HB3 LEU 27 - QD2 LEU 2 far 0 99 0 - 5.5-8.6 HB2 LYS 82 - QD2 LEU 103 far 0 55 0 - 6.8-19.4 QB ALA 89 - QD2 LEU 103 far 0 56 0 - 6.9-15.6 HG2 LYS 94 - QD2 LEU 103 far 0 56 0 - 7.2-15.1 HG LEU 3 - QD2 LEU 103 far 0 33 0 - 7.4-12.8 QB ALA 25 - QD2 LEU 103 far 0 56 0 - 7.6-12.4 QB ALA 67 - QD2 LEU 103 far 0 57 0 - 7.6-16.4 QB ALA 25 - QD2 LEU 2 far 0 100 0 - 7.8-9.9 HB3 LEU 42 - QD2 LEU 2 far 0 77 0 - 8.0-12.1 HB3 LEU 27 - QD2 LEU 103 far 0 54 0 - 8.3-14.5 HG2 ARG 30 - QD2 LEU 2 far 0 59 0 - 8.4-12.3 HB3 LEU 42 - QD2 LEU 103 far 0 37 0 - 9.6-18.4 HB3 ARG 30 - QD2 LEU 2 far 0 61 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 80 from cnoeabs.peaks (1.51, 0.81, 23.49 ppm; 3.00 A): 3 out of 20 assignments used, quality = 1.00: * HG LEU 2 + QD2 LEU 2 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 103 + QD2 LEU 103 OK 55 56 100 99 2.0-3.2 3.1=89, 4493/2.1=39...(19) HG2 ARG 79 + QD2 LEU 103 OK 23 49 80 60 2.3-10.6 73=13, 4493/2.1=11...(19) HG3 ARG 79 - QD2 LEU 103 poor 18 48 65 57 1.9-11.9 4493/2.1=11, 73=10...(18) HB2 LEU 3 - QD2 LEU 2 far 6 61 10 - 4.4-7.4 HD3 LYS 53 - QD2 LEU 103 far 0 30 0 - 5.2-10.2 HD3 LYS 53 - QD2 LEU 2 far 0 63 0 - 5.4-9.2 HG LEU 57 - QD2 LEU 103 far 0 52 0 - 5.6-16.0 HG12 ILE 56 - QD2 LEU 103 far 0 51 0 - 6.2-15.5 HG LEU 64 - QD2 LEU 103 far 0 32 0 - 6.7-19.8 HB2 ARG 91 - QD2 LEU 103 far 0 39 0 - 6.9-15.7 HB2 LEU 3 - QD2 LEU 103 far 0 28 0 - 7.0-13.4 HG2 LYS 47 - QD2 LEU 2 far 0 87 0 - 7.4-12.0 HB3 LEU 64 - QD2 LEU 103 far 0 43 0 - 7.7-20.0 HG LEU 6 - QD2 LEU 2 far 0 99 0 - 8.1-12.3 HG LEU 6 - QD2 LEU 103 far 0 55 0 - 8.7-18.0 HG3 ARG 30 - QD2 LEU 2 far 0 96 0 - 9.1-12.8 HG12 ILE 56 - QD2 LEU 2 far 0 96 0 - 9.2-13.6 HB ILE 7 - QD2 LEU 103 far 0 56 0 - 9.8-19.5 HG2 ARG 79 - QD2 LEU 2 far 0 93 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 81 from cnoeabs.peaks (0.81, 0.81, 23.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 2 + QD2 LEU 2 OK 100 100 - 100 QD2 LEU 103 + QD2 LEU 103 OK 49 49 - 100 Peak 82 from cnoeabs.peaks (0.88, 0.81, 23.49 ppm; 2.83 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 2 + QD2 LEU 2 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 103 + QD2 LEU 103 OK 49 49 100 100 1.9-2.1 2.1=100 QG2 ILE 76 - QD2 LEU 2 far 0 100 0 - 5.2-8.2 QD2 LEU 64 - QD2 LEU 103 far 0 48 0 - 5.8-16.8 QG2 ILE 76 - QD2 LEU 103 far 0 57 0 - 6.7-12.8 QD1 LEU 38 - QD2 LEU 103 far 0 46 0 - 9.3-17.2 Violated in 0 structures by 0.00 A. Peak 83 from cnoeabs.peaks (7.84, 0.81, 23.49 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 3 + QD2 LEU 2 OK 100 100 100 100 2.6-4.6 6022=87, 6018/77=72...(12) H LEU 3 - QD2 LEU 103 far 0 57 0 - 9.3-14.6 H ASN 26 - QD2 LEU 2 far 0 100 0 - 9.3-11.6 H LYS 73 - QD2 LEU 103 far 0 57 0 - 9.7-20.6 Violated in 15 structures by 0.27 A. Peak 84 from cnoeabs.peaks (8.51, 0.88, 24.80 ppm; 4.64 A): 3 out of 8 assignments used, quality = 1.00: * H LEU 2 + QD1 LEU 2 OK 100 100 100 100 1.7-3.8 4.7=97, 6012/2.1=82...(18) H ASN 51 + QD1 LEU 2 OK 84 85 100 99 3.9-5.9 4.0/10631=43...(24) H GLN 50 + QD1 LEU 2 OK 59 59 100 99 3.3-5.6 4.0/10629=49...(21) H ARG 79 - QD1 LEU 103 poor 16 62 25 - 4.6-13.6 H VAL 54 - QD1 LEU 2 far 0 93 0 - 6.9-8.5 H VAL 54 - QD1 LEU 103 far 0 55 0 - 7.1-12.3 H VAL 58 - QD1 LEU 103 far 0 39 0 - 7.1-18.0 H ALA 67 - QD1 LEU 103 far 0 44 0 - 8.9-21.1 Violated in 0 structures by 0.00 A. Peak 85 from cnoeabs.peaks (4.46, 0.88, 24.80 ppm; 4.24 A): 2 out of 4 assignments used, quality = 1.00: * HA LEU 2 + QD1 LEU 2 OK 100 100 100 100 3.3-4.1 4.0=100 HA GLU 48 + QD1 LEU 2 OK 44 68 70 94 4.9-6.9 3.0/9038=49...(17) HA ILE 76 - QD1 LEU 2 far 0 68 0 - 7.9-9.7 HA ILE 76 - QD1 LEU 103 far 0 36 0 - 9.4-17.1 Violated in 0 structures by 0.00 A. Peak 86 from cnoeabs.peaks (1.70, 0.88, 24.80 ppm; 3.30 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 2 + QD1 LEU 2 OK 100 100 100 100 2.1-2.5 3.1=100 HB ILE 52 + QD1 LEU 2 OK 75 75 100 99 1.9-3.9 3.0/12039=49, 70/2.1=28...(42) HD2 ARG 81 - QD1 LEU 103 lone 3 50 45 14 3.8-14.1 ~9746=4, 1.8/8055=3...(5) HB3 LYS 53 - QD1 LEU 2 far 0 96 0 - 5.2-7.9 HB3 ARG 91 - QD1 LEU 103 far 0 55 0 - 6.0-15.2 HB3 LYS 53 - QD1 LEU 103 far 0 58 0 - 6.6-10.4 HD3 LYS 47 - QD1 LEU 2 far 0 92 0 - 7.2-11.0 HD2 LYS 47 - QD1 LEU 2 far 0 91 0 - 8.6-11.8 HD3 LYS 90 - QD1 LEU 103 far 0 64 0 - 9.4-19.3 HD2 LYS 90 - QD1 LEU 103 far 0 33 0 - 9.9-18.8 Violated in 0 structures by 0.00 A. Peak 87 from cnoeabs.peaks (1.33, 0.88, 24.80 ppm; 3.28 A): 1 out of 17 assignments used, quality = 1.00: * HB3 LEU 2 + QD1 LEU 2 OK 100 100 100 100 2.2-3.2 3.1=100 HG3 LYS 68 - QD1 LEU 103 far 6 58 10 - 3.7-18.5 HG LEU 3 - QD1 LEU 2 far 0 70 0 - 4.8-6.0 QB ALA 89 - QD1 LEU 103 far 0 64 0 - 6.2-14.9 QB ALA 67 - QD1 LEU 103 far 0 64 0 - 7.0-16.3 HG2 LYS 94 - QD1 LEU 103 far 0 64 0 - 7.3-16.8 HB3 LEU 27 - QD1 LEU 2 far 0 99 0 - 7.6-9.3 HB2 LYS 82 - QD1 LEU 103 far 0 62 0 - 7.6-18.1 QB ALA 25 - QD1 LEU 103 far 0 64 0 - 8.1-13.6 HG LEU 3 - QD1 LEU 103 far 0 38 0 - 8.5-13.6 HB3 LEU 42 - QD1 LEU 2 far 0 77 0 - 8.8-11.4 QB ALA 25 - QD1 LEU 2 far 0 100 0 - 9.2-10.3 HG2 ARG 30 - QD1 LEU 2 far 0 59 0 - 9.3-12.6 HB2 LEU 70 - QD1 LEU 103 far 0 35 0 - 9.7-21.6 HG LEU 14 - QD1 LEU 103 far 0 57 0 - 9.7-19.7 HB3 LEU 27 - QD1 LEU 103 far 0 61 0 - 9.9-14.9 HG12 ILE 8 - QD1 LEU 103 far 0 43 0 - 9.9-20.4 Violated in 0 structures by 0.00 A. Peak 88 from cnoeabs.peaks (1.51, 0.88, 24.80 ppm; 2.96 A): 2 out of 18 assignments used, quality = 1.00: * HG LEU 2 + QD1 LEU 2 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 103 + QD1 LEU 103 OK 62 63 100 99 2.0-3.2 3.1=86, 4493/2.1=39...(20) HG3 ARG 79 - QD1 LEU 103 poor 16 54 50 60 2.2-11.9 74=13, 1.8/74=12...(18) HG2 ARG 79 - QD1 LEU 103 poor 15 55 45 62 2.0-10.6 74=15, 4501/2.1=12...(19) HG LEU 57 - QD1 LEU 103 far 0 59 0 - 5.4-15.3 HB2 ARG 91 - QD1 LEU 103 far 0 44 0 - 5.6-14.9 HD3 LYS 53 - QD1 LEU 2 far 0 63 0 - 5.9-9.0 HD3 LYS 53 - QD1 LEU 103 far 0 34 0 - 6.0-10.7 HB2 LEU 3 - QD1 LEU 2 far 0 61 0 - 6.3-7.5 HG LEU 64 - QD1 LEU 103 far 0 36 0 - 6.5-18.9 HG12 ILE 56 - QD1 LEU 103 far 0 58 0 - 6.7-15.5 HG2 LYS 47 - QD1 LEU 2 far 0 87 0 - 7.4-10.8 HB2 LEU 3 - QD1 LEU 103 far 0 33 0 - 7.8-14.2 HB3 LEU 64 - QD1 LEU 103 far 0 49 0 - 8.3-19.1 HG LEU 6 - QD1 LEU 103 far 0 62 0 - 9.1-18.4 HB ILE 7 - QD1 LEU 103 far 0 63 0 - 9.5-19.3 HG3 ARG 30 - QD1 LEU 2 far 0 96 0 - 9.7-13.6 HG LEU 6 - QD1 LEU 2 far 0 99 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 89 from cnoeabs.peaks (0.81, 0.88, 24.80 ppm; 2.78 A): 3 out of 15 assignments used, quality = 1.00: * QD2 LEU 2 + QD1 LEU 2 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 ILE 52 + QD1 LEU 2 OK 74 77 100 96 1.6-3.7 3.2/12039=32, 2.1/86=19...(44) QD2 LEU 103 + QD1 LEU 103 OK 56 56 100 100 1.9-2.1 2.1=100 QD1 LEU 57 - QD1 LEU 103 far 8 55 15 - 3.2-11.9 QD2 LEU 57 - QD1 LEU 103 far 6 60 10 - 3.8-12.8 QD1 ILE 93 - QD1 LEU 103 far 0 31 0 - 5.9-13.2 QD1 ILE 76 - QD1 LEU 2 far 0 99 0 - 6.5-8.8 QD1 LEU 6 - QD1 LEU 103 far 0 33 0 - 8.5-16.8 QD1 LEU 6 - QD1 LEU 2 far 0 61 0 - 8.7-11.9 QD1 ILE 76 - QD1 LEU 103 far 0 63 0 - 8.9-16.1 QG2 ILE 52 - QD1 LEU 103 far 0 43 0 - 9.1-13.5 QD2 LEU 70 - QD1 LEU 103 far 0 65 0 - 9.1-20.3 QD2 LEU 38 - QD1 LEU 103 far 0 59 0 - 9.1-18.9 QG2 ILE 7 - QD1 LEU 103 far 0 62 0 - 9.3-17.7 QG2 VAL 32 - QD1 LEU 103 far 0 51 0 - 9.5-18.2 Violated in 0 structures by 0.00 A. Peak 90 from cnoeabs.peaks (0.88, 0.88, 24.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 2 + QD1 LEU 2 OK 100 100 - 100 QD1 LEU 103 + QD1 LEU 103 OK 56 56 - 100 Peak 91 from cnoeabs.peaks (7.84, 0.88, 24.80 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + QD1 LEU 2 OK 100 100 100 100 4.4-4.9 5.0=100 H LYS 73 - QD1 LEU 103 far 0 65 0 - 9.4-21.1 Violated in 0 structures by 0.00 A. Peak 92 from cnoeabs.peaks (7.84, 5.13, 53.57 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + HA LEU 3 OK 100 100 100 100 2.9-2.9 3.0=100 H ASN 26 - HA LEU 3 far 0 100 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 93 from cnoeabs.peaks (5.13, 5.13, 53.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 3 + HA LEU 3 OK 100 100 - 100 Peak 94 from cnoeabs.peaks (1.55, 5.13, 53.57 ppm; 4.07 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 3 + HA LEU 3 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 2 + HA LEU 3 OK 40 61 70 94 3.6-6.6 ~83=37, ~6022=35, ~67=28...(18) HD3 LYS 53 - HA LEU 3 far 15 100 15 - 5.2-6.4 HG3 ARG 79 - HA LEU 3 far 0 94 0 - 7.8-12.0 HG2 ARG 79 - HA LEU 3 far 0 93 0 - 7.9-12.0 HB3 GLU 28 - HA LEU 3 far 0 99 0 - 8.2-9.4 HG LEU 6 - HA LEU 3 far 0 81 0 - 8.6-11.9 HG12 ILE 56 - HA LEU 3 far 0 90 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 95 from cnoeabs.peaks (1.15, 5.13, 53.57 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 3 + HA LEU 3 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 29 - HA LEU 3 far 0 99 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 96 from cnoeabs.peaks (1.30, 5.13, 53.57 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 3 + HA LEU 3 OK 100 100 100 100 2.5-2.8 3.7=100 HB3 LEU 2 + HA LEU 3 OK 69 70 100 99 4.4-5.7 67/3.0=42, ~6018=38...(20) HG2 ARG 30 - HA LEU 3 far 0 100 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 97 from cnoeabs.peaks (0.26, 5.13, 53.57 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HA LEU 3 OK 100 100 100 100 2.4-3.4 125=81, 6037/99=46...(23) Violated in 0 structures by 0.00 A. Peak 98 from cnoeabs.peaks (0.46, 5.13, 53.57 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 3 + HA LEU 3 OK 100 100 100 100 3.6-3.9 3.9=100 QD1 LEU 55 - HA LEU 3 far 0 82 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 99 from cnoeabs.peaks (8.36, 5.13, 53.57 ppm; 3.22 A): 1 out of 1 assignment used, quality = 0.99: * H TYR 4 + HA LEU 3 OK 99 100 100 99 2.2-2.5 3.6=73, 6035/3.0=36...(24) Violated in 0 structures by 0.00 A. Peak 100 from cnoeabs.peaks (7.84, 1.55, 44.04 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + HB2 LEU 3 OK 100 100 100 100 2.7-3.9 4.0=100 H ASN 26 - HB2 LEU 3 far 0 100 0 - 6.0-8.9 Violated in 0 structures by 0.00 A. Peak 101 from cnoeabs.peaks (5.13, 1.55, 44.04 ppm; 4.21 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HB2 LEU 3 OK 100 100 100 100 2.5-3.0 3.0=100 HA TYR 4 + HB2 LEU 3 OK 96 96 100 99 4.3-4.9 3.0/6034=48, 8135=48...(21) HA VAL 54 + HB2 LEU 3 OK 24 75 35 91 5.0-6.8 10203/4.4=30...(26) HA VAL 5 - HB2 LEU 3 far 0 90 0 - 6.1-7.9 Violated in 0 structures by 0.00 A. Peak 102 from cnoeabs.peaks (1.55, 1.55, 44.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 3 + HB2 LEU 3 OK 100 100 - 100 Peak 103 from cnoeabs.peaks (1.15, 1.55, 44.04 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 3 + HB2 LEU 3 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 29 - HB2 LEU 3 far 0 99 0 - 8.5-10.8 Violated in 0 structures by 0.00 A. Peak 104 from cnoeabs.peaks (1.30, 1.55, 44.04 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 3 + HB2 LEU 3 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 2 - HB2 LEU 3 poor 19 70 30 92 4.9-6.8 3.0/8081=29, 67/4.0=24...(19) Violated in 0 structures by 0.00 A. Peak 105 from cnoeabs.peaks (0.26, 1.55, 44.04 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HB2 LEU 3 OK 100 100 100 100 2.0-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 106 from cnoeabs.peaks (0.46, 1.55, 44.04 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 3 + HB2 LEU 3 OK 100 100 100 100 1.9-3.0 3.1=100 QD1 LEU 55 - HB2 LEU 3 far 0 82 0 - 6.8-9.1 Violated in 0 structures by 0.00 A. Peak 107 from cnoeabs.peaks (8.36, 1.55, 44.04 ppm; 5.13 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + HB2 LEU 3 OK 100 100 100 100 2.9-4.2 4.4=100 H GLU 95 - HB2 LEU 3 far 0 100 0 - 9.3-10.8 H ILE 93 - HB2 LEU 3 far 0 100 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 108 from cnoeabs.peaks (7.84, 1.15, 44.04 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + HB3 LEU 3 OK 100 100 100 100 2.8-3.9 4.0=100 H ASN 26 - HB3 LEU 3 far 0 100 0 - 7.1-9.9 Violated in 0 structures by 0.00 A. Peak 109 from cnoeabs.peaks (5.13, 1.15, 44.04 ppm; 4.18 A): 3 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HB3 LEU 3 OK 100 100 100 100 2.4-3.0 3.0=100 HA TYR 4 + HB3 LEU 3 OK 95 96 100 99 4.3-4.9 3.0/6035=62, 8135/1.8=37...(20) HA VAL 54 + HB3 LEU 3 OK 47 75 70 89 4.3-6.7 10203/6035=31...(21) HA VAL 5 - HB3 LEU 3 far 0 90 0 - 6.0-8.1 Violated in 0 structures by 0.00 A. Peak 110 from cnoeabs.peaks (1.55, 1.15, 44.04 ppm; 3.21 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 3 + HB3 LEU 3 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 53 - HB3 LEU 3 far 5 100 5 - 4.6-8.8 HG LEU 2 - HB3 LEU 3 far 0 61 0 - 5.8-8.4 HG3 ARG 79 - HB3 LEU 3 far 0 94 0 - 7.6-13.2 HG2 ARG 79 - HB3 LEU 3 far 0 93 0 - 7.7-12.5 HB3 GLU 28 - HB3 LEU 3 far 0 99 0 - 8.1-9.7 HG LEU 103 - HB3 LEU 3 far 0 79 0 - 8.5-16.1 HG LEU 6 - HB3 LEU 3 far 0 81 0 - 8.6-12.2 HB3 LEU 103 - HB3 LEU 3 far 0 77 0 - 9.2-15.9 HB2 LEU 103 - HB3 LEU 3 far 0 73 0 - 9.5-15.0 HG12 ILE 56 - HB3 LEU 3 far 0 90 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 111 from cnoeabs.peaks (1.15, 1.15, 44.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 3 + HB3 LEU 3 OK 100 100 - 100 Peak 112 from cnoeabs.peaks (1.30, 1.15, 44.04 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 3 + HB3 LEU 3 OK 100 100 100 100 2.7-3.0 3.0=100 HB3 LEU 2 - HB3 LEU 3 far 3 70 5 - 5.3-7.5 Violated in 0 structures by 0.00 A. Peak 113 from cnoeabs.peaks (0.26, 1.15, 44.04 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HB3 LEU 3 OK 100 100 100 100 1.9-3.1 3.1=100 Violated in 0 structures by 0.00 A. Peak 114 from cnoeabs.peaks (0.46, 1.15, 44.04 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 3 + HB3 LEU 3 OK 100 100 100 100 2.0-3.1 3.1=100 QD1 LEU 55 - HB3 LEU 3 far 0 82 0 - 6.2-9.1 Violated in 0 structures by 0.00 A. Peak 115 from cnoeabs.peaks (8.36, 1.15, 44.04 ppm; 4.96 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + HB3 LEU 3 OK 100 100 100 100 2.4-4.2 4.4=100 H GLU 95 - HB3 LEU 3 far 0 100 0 - 9.2-11.2 H ILE 93 - HB3 LEU 3 far 0 100 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 116 from cnoeabs.peaks (7.84, 1.30, 27.70 ppm; 3.94 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + HG LEU 3 OK 100 100 100 100 3.1-3.7 132/2.1=67, 6027=60...(15) H ASN 26 - HG LEU 3 far 0 100 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 117 from cnoeabs.peaks (5.13, 1.30, 27.70 ppm; 4.04 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 3 + HG LEU 3 OK 100 100 100 100 2.5-2.8 3.7=100 HA VAL 54 - HG LEU 3 far 0 75 0 - 6.2-7.1 HA TYR 4 - HG LEU 3 far 0 96 0 - 6.5-6.6 HA VAL 5 - HG LEU 3 far 0 90 0 - 8.7-9.1 Violated in 0 structures by 0.00 A. Peak 118 from cnoeabs.peaks (1.55, 1.30, 27.70 ppm; 3.45 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 3 + HG LEU 3 OK 100 100 100 100 2.6-3.0 3.0=100 HG LEU 2 - HG LEU 3 poor 17 61 45 62 4.7-7.1 3.7/8084=28, 6025/116=14...(10) HD3 LYS 53 - HG LEU 3 far 0 100 0 - 5.0-6.4 HG2 ARG 79 - HG LEU 3 far 0 93 0 - 9.1-12.8 HB2 LEU 103 - HG LEU 3 far 0 73 0 - 9.2-13.8 HG3 ARG 79 - HG LEU 3 far 0 94 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 119 from cnoeabs.peaks (1.15, 1.30, 27.70 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 3 + HG LEU 3 OK 100 100 100 100 2.7-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 120 from cnoeabs.peaks (1.30, 1.30, 27.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 3 + HG LEU 3 OK 100 100 - 100 Peak 121 from cnoeabs.peaks (0.26, 1.30, 27.70 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + HG LEU 3 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 122 from cnoeabs.peaks (0.46, 1.30, 27.70 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 3 + HG LEU 3 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 55 - HG LEU 3 far 0 82 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 123 from cnoeabs.peaks (8.36, 1.30, 27.70 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 4 + HG LEU 3 OK 100 100 100 100 4.4-4.8 6037/2.1=95, 99/3.7=86...(22) Violated in 0 structures by 0.00 A. Peak 124 from cnoeabs.peaks (7.84, 0.26, 24.15 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + QD2 LEU 3 OK 100 100 100 100 4.3-4.7 6028=100, 116/2.1=86...(10) H ASN 26 - QD2 LEU 3 far 0 100 0 - 7.3-9.8 Violated in 7 structures by 0.02 A. Peak 125 from cnoeabs.peaks (5.13, 0.26, 24.15 ppm; 3.32 A): 2 out of 4 assignments used, quality = 0.99: * HA LEU 3 + QD2 LEU 3 OK 99 100 100 99 2.4-3.4 97=81, 99/6037=40...(23) HA VAL 54 + QD2 LEU 3 OK 23 75 40 76 4.5-5.5 10203/6037=20...(16) HA TYR 4 - QD2 LEU 3 far 0 96 0 - 5.3-6.0 HA VAL 5 - QD2 LEU 3 far 0 90 0 - 6.2-7.1 Violated in 1 structures by 0.00 A. Peak 126 from cnoeabs.peaks (1.55, 0.26, 24.15 ppm; 3.60 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 3 + QD2 LEU 3 OK 100 100 100 100 2.0-3.1 3.1=100 HD3 LYS 53 + QD2 LEU 3 OK 95 100 95 100 2.7-5.2 1.8/9192=56...(22) HG LEU 2 - QD2 LEU 3 far 0 61 0 - 5.3-7.7 HG3 ARG 79 - QD2 LEU 3 far 0 94 0 - 6.1-9.1 HG2 ARG 79 - QD2 LEU 3 far 0 93 0 - 6.1-9.0 HB3 LEU 103 - QD2 LEU 3 far 0 77 0 - 6.3-11.0 HG LEU 103 - QD2 LEU 3 far 0 79 0 - 6.5-11.5 HB2 LEU 103 - QD2 LEU 3 far 0 73 0 - 6.5-9.8 HG LEU 6 - QD2 LEU 3 far 0 81 0 - 8.3-11.7 HG12 ILE 56 - QD2 LEU 3 far 0 90 0 - 8.4-10.8 HB3 GLU 28 - QD2 LEU 3 far 0 99 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 127 from cnoeabs.peaks (1.15, 0.26, 24.15 ppm; 3.69 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 3 + QD2 LEU 3 OK 100 100 100 100 1.9-3.1 3.1=100 HB2 LEU 29 - QD2 LEU 3 far 0 99 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 128 from cnoeabs.peaks (1.30, 0.26, 24.15 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 3 + QD2 LEU 3 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 2 - QD2 LEU 3 far 0 70 0 - 5.8-6.8 Violated in 0 structures by 0.00 A. Peak 129 from cnoeabs.peaks (0.26, 0.26, 24.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + QD2 LEU 3 OK 100 100 - 100 Peak 130 from cnoeabs.peaks (0.46, 0.26, 24.15 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 3 + QD2 LEU 3 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 LEU 55 - QD2 LEU 3 far 0 82 0 - 5.4-6.3 HG2 ARG 81 - QD2 LEU 3 far 0 68 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 131 from cnoeabs.peaks (8.36, 0.26, 24.15 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + QD2 LEU 3 OK 100 100 100 100 3.2-4.0 6037=100, 99/97=69...(20) H GLU 95 - QD2 LEU 3 far 0 100 0 - 7.4-8.5 H ILE 93 - QD2 LEU 3 far 0 100 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 132 from cnoeabs.peaks (7.84, 0.46, 24.71 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 3 + QD1 LEU 3 OK 100 100 100 100 2.6-4.0 6029=90, 116/2.1=75...(14) H ASN 26 - QD1 LEU 3 far 5 100 5 - 5.6-8.1 Violated in 0 structures by 0.00 A. Peak 133 from cnoeabs.peaks (5.13, 0.46, 24.71 ppm; 4.16 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 3 + QD1 LEU 3 OK 100 100 100 100 3.6-3.9 3.9=100 HA TYR 4 - QD1 LEU 3 far 5 96 5 - 5.6-6.2 HA VAL 54 - QD1 LEU 3 far 0 75 0 - 6.5-7.2 HA VAL 5 - QD1 LEU 3 far 0 90 0 - 7.6-8.3 Violated in 0 structures by 0.00 A. Peak 134 from cnoeabs.peaks (1.55, 0.46, 24.71 ppm; 3.55 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 3 + QD1 LEU 3 OK 100 100 100 100 1.9-3.0 3.1=100 HG LEU 2 - QD1 LEU 3 far 0 61 0 - 5.2-7.3 HD3 LYS 53 - QD1 LEU 3 far 0 100 0 - 5.3-7.1 HB2 LEU 103 - QD1 LEU 3 far 0 73 0 - 7.0-12.2 HB3 LEU 103 - QD1 LEU 3 far 0 77 0 - 7.8-13.4 HG LEU 103 - QD1 LEU 3 far 0 79 0 - 8.0-14.0 HG3 ARG 79 - QD1 LEU 3 far 0 94 0 - 8.1-11.4 HG2 ARG 79 - QD1 LEU 3 far 0 93 0 - 8.6-11.5 HB3 GLU 28 - QD1 LEU 3 far 0 99 0 - 8.9-9.8 HG2 LYS 24 - QD1 LEU 3 far 0 71 0 - 9.1-11.3 HG LEU 6 - QD1 LEU 3 far 0 81 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 135 from cnoeabs.peaks (1.15, 0.46, 24.71 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 3 + QD1 LEU 3 OK 100 100 100 100 2.0-3.1 3.1=100 HB2 LEU 29 - QD1 LEU 3 far 0 99 0 - 8.7-10.8 Violated in 0 structures by 0.00 A. Peak 136 from cnoeabs.peaks (1.30, 0.46, 24.71 ppm; 3.29 A): 1 out of 2 assignments used, quality = 1.00: * HG LEU 3 + QD1 LEU 3 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 2 - QD1 LEU 3 far 0 70 0 - 4.8-5.8 Violated in 0 structures by 0.00 A. Peak 137 from cnoeabs.peaks (0.26, 0.46, 24.71 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 3 + QD1 LEU 3 OK 100 100 100 100 1.9-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 138 from cnoeabs.peaks (0.46, 0.46, 24.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 3 + QD1 LEU 3 OK 100 100 - 100 Peak 139 from cnoeabs.peaks (8.36, 0.46, 24.71 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: * H TYR 4 + QD1 LEU 3 OK 100 100 100 100 4.7-5.2 5.0=100 H GLU 95 - QD1 LEU 3 far 0 100 0 - 7.7-8.9 H ILE 93 - QD1 LEU 3 far 0 100 0 - 9.0-10.2 Violated in 3 structures by 0.01 A. Peak 140 from cnoeabs.peaks (8.36, 5.14, 56.58 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 4 + HA TYR 4 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 141 from cnoeabs.peaks (5.14, 5.14, 56.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 4 + HA TYR 4 OK 100 100 - 100 Peak 142 from cnoeabs.peaks (2.29, 5.14, 56.58 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 4 + HA TYR 4 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 GLU 23 - HA TYR 4 far 0 91 0 - 7.2-11.0 HB2 TYR 41 - HA TYR 4 far 0 88 0 - 8.9-10.8 HB2 GLU 48 - HA TYR 4 far 0 100 0 - 9.6-12.7 Violated in 0 structures by 0.00 A. Peak 143 from cnoeabs.peaks (2.46, 5.14, 56.58 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 4 + HA TYR 4 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 GLU 23 - HA TYR 4 far 0 73 0 - 8.5-10.3 HG3 GLU 48 - HA TYR 4 far 0 79 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 144 from cnoeabs.peaks (6.43, 5.14, 56.58 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 4 + HA TYR 4 OK 100 100 100 100 2.1-3.1 3.7=100 QE TYR 4 + HA TYR 4 OK 92 98 100 94 4.4-4.7 5.7=38, 8126/3.0=31...(15) Violated in 0 structures by 0.00 A. Peak 146 from cnoeabs.peaks (8.92, 5.14, 56.58 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 5 + HA TYR 4 OK 98 100 100 98 2.3-2.5 3.6=72, 6049/3.0=38...(21) H LEU 57 - HA TYR 4 far 0 99 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 147 from cnoeabs.peaks (8.36, 2.29, 43.84 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 4 + HB2 TYR 4 OK 100 100 100 100 2.5-2.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 148 from cnoeabs.peaks (5.14, 2.29, 43.84 ppm; 3.92 A): 4 out of 4 assignments used, quality = 1.00: * HA TYR 4 + HB2 TYR 4 OK 100 100 100 100 3.0-3.0 3.0=100 HA VAL 54 + HB2 TYR 4 OK 95 96 100 100 1.9-2.8 3.2/9239=57, 10204=52...(29) HA LEU 3 + HB2 TYR 4 OK 86 96 100 89 4.3-4.6 99/3.8=55, 8062/2.5=18...(18) HA VAL 5 + HB2 TYR 4 OK 62 63 100 98 4.5-4.9 3.0/6048=51, ~6049=38...(20) Violated in 0 structures by 0.00 A. Peak 149 from cnoeabs.peaks (2.29, 2.29, 43.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 4 + HB2 TYR 4 OK 100 100 - 100 Peak 150 from cnoeabs.peaks (2.46, 2.29, 43.84 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TYR 4 + HB2 TYR 4 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 48 - HB2 TYR 4 far 0 79 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 151 from cnoeabs.peaks (6.43, 2.29, 43.84 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 4 + HB2 TYR 4 OK 100 100 100 100 2.3-2.6 2.5=100 QE TYR 4 + HB2 TYR 4 OK 92 98 100 94 4.4-4.5 4.4=66, 158/1.8=36...(15) Violated in 0 structures by 0.00 A. Peak 153 from cnoeabs.peaks (8.92, 2.29, 43.84 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + HB2 TYR 4 OK 100 100 100 100 3.4-3.9 4.6=100 H ASP 77 - HB2 TYR 4 far 0 79 0 - 7.4-8.5 H LEU 57 - HB2 TYR 4 far 0 99 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 154 from cnoeabs.peaks (8.36, 2.46, 43.84 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 4 + HB3 TYR 4 OK 100 100 100 100 3.7-3.9 3.8=100 Violated in 0 structures by 0.00 A. Peak 155 from cnoeabs.peaks (5.14, 2.46, 43.84 ppm; 3.84 A): 3 out of 5 assignments used, quality = 1.00: * HA TYR 4 + HB3 TYR 4 OK 100 100 100 100 2.4-2.6 3.0=100 HA VAL 54 + HB3 TYR 4 OK 95 96 100 99 3.1-4.0 10204/1.8=47...(27) HA VAL 5 + HB3 TYR 4 OK 61 63 100 96 4.1-4.5 3.0/6049=57, ~6048=33...(18) HA LEU 3 - HB3 TYR 4 far 0 96 0 - 5.6-5.7 HA ILE 7 - HB3 TYR 4 far 0 98 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 156 from cnoeabs.peaks (2.29, 2.46, 43.84 ppm; 3.27 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 4 + HB3 TYR 4 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 TYR 41 - HB3 TYR 4 far 0 88 0 - 6.5-8.5 HG2 GLU 23 - HB3 TYR 4 far 0 91 0 - 8.4-12.9 HB2 GLU 48 - HB3 TYR 4 far 0 100 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 157 from cnoeabs.peaks (2.46, 2.46, 43.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 4 + HB3 TYR 4 OK 100 100 - 100 Peak 158 from cnoeabs.peaks (6.43, 2.46, 43.84 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 4 + HB3 TYR 4 OK 100 100 100 100 2.3-2.8 2.5=100 QE TYR 4 + HB3 TYR 4 OK 90 98 100 92 4.4-4.5 4.4=63, 151/1.8=35...(13) Violated in 0 structures by 0.00 A. Peak 160 from cnoeabs.peaks (8.92, 2.46, 43.84 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + HB3 TYR 4 OK 100 100 100 100 2.2-2.8 6049=100, 146/3.0=85...(17) H LEU 57 - HB3 TYR 4 far 0 99 0 - 8.8-9.7 H ASP 77 - HB3 TYR 4 far 0 79 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 161 from cnoeabs.peaks (8.92, 5.11, 59.85 ppm; 4.33 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 5 + HA VAL 5 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 57 + HA VAL 5 OK 65 99 70 95 5.4-6.2 9333/6059=60, 173/3.2=31...(19) H ARG 19 - HA VAL 5 far 0 94 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 162 from cnoeabs.peaks (5.11, 5.11, 59.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 5 + HA VAL 5 OK 100 100 - 100 Peak 163 from cnoeabs.peaks (1.86, 5.11, 59.85 ppm; 4.33 A): 2 out of 7 assignments used, quality = 1.00: * HB VAL 5 + HA VAL 5 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 54 + HA VAL 5 OK 44 87 55 91 4.7-6.4 4.5/9295=53...(10) HB3 LEU 57 - HA VAL 5 far 0 63 0 - 6.2-7.1 HB2 LYS 53 - HA VAL 5 far 0 92 0 - 6.8-8.1 HG LEU 42 - HA VAL 5 far 0 68 0 - 8.4-11.0 HB2 ARG 19 - HA VAL 5 far 0 75 0 - 9.7-11.5 HB ILE 8 - HA VAL 5 far 0 70 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 164 from cnoeabs.peaks (0.73, 5.11, 59.85 ppm; 3.41 A): 4 out of 17 assignments used, quality = 1.00: * QG1 VAL 5 + HA VAL 5 OK 100 100 100 100 2.2-2.5 3.2=100 QG1 VAL 54 + HA VAL 5 OK 57 68 100 85 2.8-3.8 4.1/9295=36, 2.1/8193=22...(17) QD2 LEU 6 + HA VAL 5 OK 45 57 95 83 3.3-5.2 4.6/6059=35, 3.1/8220=15...(20) QD1 ILE 56 + HA VAL 5 OK 39 93 80 53 3.3-6.4 5.0/9301=15...(11) HG13 ILE 56 - HA VAL 5 far 10 98 10 - 4.6-7.1 HG13 ILE 93 - HA VAL 5 far 5 95 5 - 4.8-6.5 QG2 ILE 93 - HA VAL 5 far 0 87 0 - 5.1-6.1 QD2 LEU 27 - HA VAL 5 far 0 100 0 - 5.6-6.9 QG1 VAL 78 - HA VAL 5 far 0 93 0 - 6.6-7.5 QG2 VAL 78 - HA VAL 5 far 0 100 0 - 6.7-8.2 QD1 ILE 8 - HA VAL 5 far 0 95 0 - 7.1-8.5 QD1 ILE 52 - HA VAL 5 far 0 73 0 - 7.7-9.4 QD1 LEU 42 - HA VAL 5 far 0 61 0 - 8.1-9.5 QG1 VAL 58 - HA VAL 5 far 0 100 0 - 8.1-8.8 HG3 ARG 81 - HA VAL 5 far 0 98 0 - 8.5-10.4 QD2 LEU 14 - HA VAL 5 far 0 94 0 - 9.1-9.6 QD1 LEU 64 - HA VAL 5 far 0 96 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 165 from cnoeabs.peaks (0.95, 5.11, 59.85 ppm; 3.56 A): 2 out of 6 assignments used, quality = 1.00: * QG2 VAL 5 + HA VAL 5 OK 100 100 100 100 2.3-2.5 3.2=100 HG LEU 55 + HA VAL 5 OK 92 94 100 98 3.5-4.8 3.0/8189=45, 4.7/9295=33...(26) QG2 THR 80 - HA VAL 5 far 0 70 0 - 7.4-8.1 QG2 VAL 83 - HA VAL 5 far 0 95 0 - 8.5-9.1 HB2 ARG 81 - HA VAL 5 far 0 97 0 - 8.6-10.9 QG1 VAL 32 - HA VAL 5 far 0 57 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 166 from cnoeabs.peaks (9.31, 5.11, 59.85 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HA VAL 5 OK 100 100 100 100 2.2-2.3 6059=100, 178/3.2=42...(23) Violated in 0 structures by 0.00 A. Peak 167 from cnoeabs.peaks (8.92, 1.86, 33.82 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + HB VAL 5 OK 100 100 100 100 2.8-3.0 6053=100, 6055/2.1=76...(20) H LEU 57 - HB VAL 5 far 0 99 0 - 6.5-7.4 H ARG 19 - HB VAL 5 far 0 94 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 168 from cnoeabs.peaks (5.11, 1.86, 33.82 ppm; 4.33 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 5 + HB VAL 5 OK 100 100 100 100 3.0-3.0 3.0=100 HA TYR 4 + HB VAL 5 OK 58 63 100 91 4.4-4.8 3.6/6053=68, 8140/2.1=37...(13) HA ILE 7 - HB VAL 5 far 0 85 0 - 6.9-7.5 HA LEU 3 - HB VAL 5 far 0 90 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 169 from cnoeabs.peaks (1.86, 1.86, 33.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 5 + HB VAL 5 OK 100 100 - 100 Peak 170 from cnoeabs.peaks (0.73, 1.86, 33.82 ppm; 3.23 A): 3 out of 14 assignments used, quality = 1.00: * QG1 VAL 5 + HB VAL 5 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 93 + HB VAL 5 OK 73 87 100 84 3.8-4.4 10322/2.1=41, ~8176=17...(21) QD2 LEU 6 + HB VAL 5 OK 35 57 95 64 4.3-6.6 10232/8715=12, 164/3.0=9...(17) HG13 ILE 93 - HB VAL 5 poor 19 95 30 68 3.1-5.5 ~10198=25, ~10322=20...(13) QG1 VAL 54 - HB VAL 5 far 0 68 0 - 5.0-6.0 QD2 LEU 27 - HB VAL 5 far 0 100 0 - 5.0-6.0 QD1 ILE 56 - HB VAL 5 far 0 93 0 - 5.5-8.7 HG13 ILE 56 - HB VAL 5 far 0 98 0 - 7.2-9.7 QD1 ILE 8 - HB VAL 5 far 0 95 0 - 8.1-9.9 QD2 LEU 14 - HB VAL 5 far 0 94 0 - 8.3-8.9 QD1 ILE 52 - HB VAL 5 far 0 73 0 - 9.0-10.9 QG1 VAL 78 - HB VAL 5 far 0 93 0 - 9.1-9.9 QG2 VAL 78 - HB VAL 5 far 0 100 0 - 9.3-10.7 QG1 VAL 58 - HB VAL 5 far 0 100 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 171 from cnoeabs.peaks (0.95, 1.86, 33.82 ppm; 3.28 A): 1 out of 6 assignments used, quality = 1.00: * QG2 VAL 5 + HB VAL 5 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 55 - HB VAL 5 far 0 94 0 - 5.3-6.5 QG2 VAL 83 - HB VAL 5 far 0 95 0 - 8.5-9.3 QG2 THR 80 - HB VAL 5 far 0 70 0 - 9.5-10.2 HB2 ARG 81 - HB VAL 5 far 0 97 0 - 9.6-12.4 QG1 VAL 32 - HB VAL 5 far 0 57 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 172 from cnoeabs.peaks (9.31, 1.86, 33.82 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HB VAL 5 OK 100 100 100 100 3.6-4.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 173 from cnoeabs.peaks (8.92, 0.73, 20.80 ppm; 4.11 A): 2 out of 6 assignments used, quality = 1.00: * H VAL 5 + QG1 VAL 5 OK 100 100 100 100 3.9-4.0 4.0=100 H LEU 57 + QG1 VAL 5 OK 93 99 100 95 3.6-4.5 9333/178=48, 6934=24...(22) H ASP 77 - QG2 VAL 78 poor 11 53 20 - 5.5-5.8 H ARG 19 - QG1 VAL 5 far 5 94 5 - 5.4-6.4 H LEU 57 - QG2 VAL 78 far 0 72 0 - 7.1-8.2 H VAL 5 - QG2 VAL 78 far 0 76 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 174 from cnoeabs.peaks (5.11, 0.73, 20.80 ppm; 3.43 A): 2 out of 8 assignments used, quality = 1.00: * HA VAL 5 + QG1 VAL 5 OK 100 100 100 100 2.2-2.5 3.2=100 HA ILE 7 + QG1 VAL 5 OK 50 85 90 65 4.3-5.1 9332/173=15...(16) HA TYR 4 - QG1 VAL 5 far 0 63 0 - 5.4-5.4 HA VAL 5 - QG2 VAL 78 far 0 76 0 - 6.7-8.2 HA LEU 3 - QG1 VAL 5 far 0 90 0 - 7.5-7.9 HA LEU 3 - QG2 VAL 78 far 0 62 0 - 8.7-9.4 HA ILE 7 - QG2 VAL 78 far 0 58 0 - 8.8-9.8 HA TYR 4 - QG2 VAL 78 far 0 41 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 175 from cnoeabs.peaks (1.86, 0.73, 20.80 ppm; 3.03 A): 3 out of 22 assignments used, quality = 1.00: * HB VAL 5 + QG1 VAL 5 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 54 + QG2 VAL 78 OK 50 59 95 89 3.6-5.0 11104/2.1=28...(20) HB3 LEU 57 + QG1 VAL 5 OK 38 63 100 60 3.6-4.4 3.9/173=12, 1.8/8194=11...(20) HB2 LYS 68 - QG2 VAL 78 poor 8 61 35 36 3.8-6.4 3.0/8509=8, 1.8/10567=7...(11) HB3 LYS 68 - QG2 VAL 78 far 0 73 0 - 4.9-6.3 HG LEU 42 - QG2 VAL 78 far 0 44 0 - 4.9-6.4 HB VAL 54 - QG1 VAL 5 far 0 87 0 - 6.2-7.8 HB2 ARG 19 - QG1 VAL 5 far 0 75 0 - 6.2-7.9 HB3 LYS 90 - QG1 VAL 5 far 0 82 0 - 6.5-7.8 HB3 LYS 39 - QG2 VAL 78 far 0 76 0 - 7.3-9.4 HB2 LYS 53 - QG1 VAL 5 far 0 92 0 - 7.4-8.6 HB ILE 8 - QG1 VAL 5 far 0 70 0 - 7.6-8.9 HB2 LYS 53 - QG2 VAL 78 far 0 64 0 - 7.7-8.7 HG2 ARG 46 - QG2 VAL 78 far 0 42 0 - 7.9-10.2 HB3 LYS 66 - QG2 VAL 78 far 0 76 0 - 8.0-9.3 HG LEU 42 - QG1 VAL 5 far 0 68 0 - 8.7-10.9 HB3 LEU 57 - QG2 VAL 78 far 0 41 0 - 9.0-10.1 HB2 LYS 20 - QG1 VAL 5 far 0 81 0 - 9.0-10.2 HB3 GLU 104 - QG2 VAL 78 far 0 74 0 - 9.1-14.4 HB ILE 8 - QG2 VAL 78 far 0 45 0 - 9.1-10.2 HB3 GLU 104 - QG1 VAL 5 far 0 99 0 - 9.1-15.4 HB VAL 5 - QG2 VAL 78 far 0 76 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 176 from cnoeabs.peaks (0.73, 0.73, 20.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 5 + QG1 VAL 5 OK 100 100 - 100 QG2 VAL 78 + QG2 VAL 78 OK 75 75 - 100 Peak 177 from cnoeabs.peaks (0.95, 0.73, 20.80 ppm; 2.84 A): 2 out of 12 assignments used, quality = 1.00: * QG2 VAL 5 + QG1 VAL 5 OK 100 100 100 100 2.0-2.1 2.1=100 HG LEU 55 + QG1 VAL 5 OK 87 94 100 93 2.4-3.5 2.1/8195=43, ~8197=17...(25) QG2 THR 80 - QG2 VAL 78 poor 18 45 100 40 2.9-4.3 3.2/8179=7, 9733=7...(13) QG2 VAL 83 - QG1 VAL 5 far 0 95 0 - 5.6-6.2 HB2 ARG 81 - QG1 VAL 5 far 0 97 0 - 6.0-8.3 HG LEU 55 - QG2 VAL 78 far 0 66 0 - 6.3-7.2 QG2 THR 80 - QG1 VAL 5 far 0 70 0 - 6.6-7.3 QG2 VAL 5 - QG2 VAL 78 far 0 76 0 - 7.2-8.7 QG1 VAL 32 - QG2 VAL 78 far 0 37 0 - 7.3-8.4 QG1 VAL 32 - QG1 VAL 5 far 0 57 0 - 7.9-8.7 HB2 ARG 81 - QG2 VAL 78 far 0 70 0 - 8.2-9.0 QG2 VAL 83 - QG2 VAL 78 far 0 67 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 178 from cnoeabs.peaks (9.31, 0.73, 20.80 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 6 + QG1 VAL 5 OK 99 100 100 99 1.8-2.4 4.1=67, 6059/3.2=64...(23) H LEU 6 - QG2 VAL 78 far 0 76 0 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 179 from cnoeabs.peaks (8.92, 0.95, 22.19 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 5 + QG2 VAL 5 OK 100 100 100 100 2.6-3.1 6055=100, 6053/2.1=76...(17) H LEU 57 - QG2 VAL 5 far 0 99 0 - 6.0-7.0 H ARG 19 - QG2 VAL 5 far 0 94 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 180 from cnoeabs.peaks (5.11, 0.95, 22.19 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * HA VAL 5 + QG2 VAL 5 OK 100 100 100 100 2.3-2.5 3.2=100 HA TYR 4 + QG2 VAL 5 OK 50 63 100 79 3.1-3.5 3.6/6055=45, 8140=25...(15) HA LEU 3 - QG2 VAL 5 far 0 90 0 - 5.2-5.6 HA ILE 7 - QG2 VAL 5 far 0 85 0 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 181 from cnoeabs.peaks (1.86, 0.95, 22.19 ppm; 3.13 A): 1 out of 9 assignments used, quality = 1.00: * HB VAL 5 + QG2 VAL 5 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LYS 53 - QG2 VAL 5 far 0 92 0 - 5.2-6.4 HB VAL 54 - QG2 VAL 5 far 0 87 0 - 5.8-7.1 HB3 LEU 57 - QG2 VAL 5 far 0 63 0 - 6.0-6.9 HB3 LYS 90 - QG2 VAL 5 far 0 82 0 - 7.4-8.4 HB2 ARG 19 - QG2 VAL 5 far 0 75 0 - 7.9-9.0 HB3 GLU 104 - QG2 VAL 5 far 0 99 0 - 9.3-15.2 HG LEU 42 - QG2 VAL 5 far 0 68 0 - 9.4-11.5 HB2 LYS 20 - QG2 VAL 5 far 0 81 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 182 from cnoeabs.peaks (0.73, 0.95, 22.19 ppm; 2.54 A): 4 out of 18 assignments used, quality = 1.00: * QG1 VAL 5 + QG2 VAL 5 OK 100 100 100 100 2.0-2.1 2.1=100 QD2 LEU 27 + QG2 VAL 5 OK 72 100 100 72 2.9-4.0 3.1/8633=18, 3.1/8634=18...(17) QG2 ILE 93 + QG2 VAL 5 OK 65 87 100 75 2.0-2.9 10322=24, 3.2/8176=14...(24) HG13 ILE 93 + QG2 VAL 5 OK 57 95 95 64 2.1-4.2 3.2/10322=22, ~10198=14...(15) QG1 VAL 54 - QG2 VAL 5 far 3 68 5 - 4.0-5.0 QD2 LEU 6 - QG2 VAL 5 far 0 57 0 - 4.6-6.3 QD1 ILE 56 - QG2 VAL 5 far 0 93 0 - 4.6-7.3 HG13 ILE 56 - QG2 VAL 5 far 0 98 0 - 6.2-8.3 QG1 VAL 78 - QG2 VAL 5 far 0 93 0 - 7.0-8.0 QD1 ILE 52 - QG2 VAL 5 far 0 73 0 - 7.1-8.6 QG2 VAL 78 - QG2 VAL 5 far 0 100 0 - 7.2-8.7 HG3 ARG 81 - QG2 VAL 5 far 0 98 0 - 7.2-9.1 QD1 ILE 8 - QG2 VAL 5 far 0 95 0 - 7.7-9.1 QD2 LEU 14 - QG2 VAL 5 far 0 94 0 - 8.0-8.4 QG1 VAL 58 - QG2 VAL 5 far 0 100 0 - 8.2-9.1 QD1 LEU 42 - QG2 VAL 5 far 0 61 0 - 8.7-9.8 QD1 LEU 64 - QG2 VAL 5 far 0 96 0 - 8.9-10.4 QD1 ILE 15 - QG2 VAL 5 far 0 71 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 183 from cnoeabs.peaks (0.95, 0.95, 22.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 5 + QG2 VAL 5 OK 100 100 - 100 Peak 184 from cnoeabs.peaks (9.31, 0.95, 22.19 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + QG2 VAL 5 OK 100 100 100 100 3.8-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 185 from cnoeabs.peaks (9.31, 5.47, 52.09 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + HA LEU 6 OK 100 100 100 100 2.9-2.9 2.9=100 H LYS 33 - HA LEU 6 far 0 99 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 186 from cnoeabs.peaks (5.47, 5.47, 52.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HA LEU 6 OK 100 100 - 100 Peak 187 from cnoeabs.peaks (1.18, 5.47, 52.09 ppm; 3.91 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 6 + HA LEU 6 OK 100 100 100 100 2.4-2.8 3.0=100 QG2 THR 31 + HA LEU 6 OK 47 59 100 79 4.6-5.3 6073/6072=22...(12) HB2 LEU 29 - HA LEU 6 poor 18 92 20 - 4.9-5.9 HB2 LEU 57 - HA LEU 6 far 0 96 0 - 7.3-8.1 Violated in 0 structures by 0.00 A. Peak 188 from cnoeabs.peaks (1.65, 5.47, 52.09 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + HA LEU 6 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 189 from cnoeabs.peaks (1.52, 5.47, 52.09 ppm; 4.13 A): 3 out of 9 assignments used, quality = 1.00: * HG LEU 6 + HA LEU 6 OK 100 100 100 100 2.7-3.7 3.7=100 HB ILE 7 + HA LEU 6 OK 99 100 100 99 3.9-4.3 4.0/6072=65, 2.1/8256=55...(27) HG3 ARG 30 + HA LEU 6 OK 82 100 95 87 4.5-5.7 4.9/8698=41, 2.9/8699=36...(9) HG12 ILE 56 - HA LEU 6 poor 20 100 20 - 5.0-7.1 HG LEU 57 - HA LEU 6 far 0 87 0 - 6.9-7.6 HB3 GLU 28 - HA LEU 6 far 0 61 0 - 7.1-8.0 HG2 ARG 79 - HA LEU 6 far 0 99 0 - 9.3-13.0 HG3 LYS 33 - HA LEU 6 far 0 91 0 - 9.4-10.7 HG3 ARG 79 - HA LEU 6 far 0 99 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 190 from cnoeabs.peaks (0.69, 5.47, 52.09 ppm; 3.43 A): 4 out of 14 assignments used, quality = 1.00: * QD2 LEU 6 + HA LEU 6 OK 100 100 100 100 1.8-3.8 218=100, 10232/8698=34...(22) QD1 LEU 29 + HA LEU 6 OK 59 71 100 83 2.0-4.0 4.6/8698=30, 2.1/8684=27...(19) QD1 ILE 56 + HA LEU 6 OK 55 91 65 94 3.9-7.0 3.0/9308=23, ~10676=21...(26) QG1 VAL 5 + HA LEU 6 OK 49 57 100 86 3.4-3.8 178/2.9=23, ~6059=18...(21) HG13 ILE 56 - HA LEU 6 far 8 81 10 - 4.7-7.0 QD1 ILE 8 - HA LEU 6 far 0 88 0 - 5.0-6.6 QG1 VAL 58 - HA LEU 6 far 0 70 0 - 6.7-7.3 QG2 VAL 54 - HA LEU 6 far 0 73 0 - 7.0-7.8 QD2 LEU 14 - HA LEU 6 far 0 90 0 - 7.3-7.6 QD1 LEU 42 - HA LEU 6 far 0 100 0 - 7.6-8.8 QG2 VAL 78 - HA LEU 6 far 0 68 0 - 7.9-9.5 QD1 LEU 14 - HA LEU 6 far 0 99 0 - 8.5-9.0 QG2 VAL 58 - HA LEU 6 far 0 99 0 - 8.9-9.6 QD1 ILE 52 - HA LEU 6 far 0 99 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 191 from cnoeabs.peaks (0.77, 5.47, 52.09 ppm; 3.94 A): 4 out of 17 assignments used, quality = 1.00: * QD1 LEU 6 + HA LEU 6 OK 100 100 100 100 1.9-3.8 4.0=93, 2.1/218=82...(21) QG1 VAL 54 + HA LEU 6 OK 80 99 95 85 4.6-5.5 10663/2.9=48...(11) QG2 ILE 7 + HA LEU 6 OK 79 81 100 98 4.4-4.7 4.0/6072=59, 8256=40...(26) QD2 LEU 57 + HA LEU 6 OK 52 85 80 76 4.3-5.9 226=24, 228/3.0=19...(15) QD1 ILE 93 - HA LEU 6 far 0 100 0 - 5.7-6.5 QD2 LEU 42 - HA LEU 6 far 0 100 0 - 5.8-6.9 QG2 ILE 15 - HA LEU 6 far 0 59 0 - 6.1-6.6 HG13 ILE 93 - HA LEU 6 far 0 82 0 - 6.6-8.5 QG2 ILE 93 - HA LEU 6 far 0 92 0 - 7.3-7.9 QG2 ILE 8 - HA LEU 6 far 0 96 0 - 7.5-7.9 QD1 LEU 27 - HA LEU 6 far 0 100 0 - 7.6-8.1 HG13 ILE 15 - HA LEU 6 far 0 96 0 - 7.6-7.9 QG1 VAL 78 - HA LEU 6 far 0 85 0 - 8.1-8.9 QD1 ILE 15 - HA LEU 6 far 0 99 0 - 8.2-8.6 QD1 ILE 76 - HA LEU 6 far 0 77 0 - 9.4-10.6 QD1 LEU 64 - HA LEU 6 far 0 79 0 - 9.7-10.8 QD2 LEU 2 - HA LEU 6 far 0 61 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 192 from cnoeabs.peaks (8.46, 5.47, 52.09 ppm; 3.21 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 7 + HA LEU 6 OK 100 100 100 100 2.1-2.6 6072=100, 6074/3.0=36...(27) H THR 31 - HA LEU 6 far 0 61 0 - 4.9-5.3 H VAL 32 - HA LEU 6 far 0 90 0 - 5.1-6.1 H LEU 29 - HA LEU 6 far 0 100 0 - 6.1-6.8 H VAL 54 - HA LEU 6 far 0 73 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 193 from cnoeabs.peaks (9.31, 1.18, 44.10 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + HB2 LEU 6 OK 100 100 100 100 3.5-3.9 4.0=100 H LYS 33 - HB2 LEU 6 far 0 99 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 194 from cnoeabs.peaks (5.47, 1.18, 44.10 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.4-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 195 from cnoeabs.peaks (1.18, 1.18, 44.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 6 + HB2 LEU 6 OK 100 100 - 100 Peak 196 from cnoeabs.peaks (1.65, 1.18, 44.10 ppm; 3.17 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 6 + HB2 LEU 6 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 40 - HB2 LEU 6 far 0 68 0 - 9.0-10.4 HB3 ARG 79 - HB2 LEU 6 far 0 100 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 197 from cnoeabs.peaks (1.52, 1.18, 44.10 ppm; 3.61 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 7 + HB2 LEU 6 OK 76 100 80 95 4.9-5.8 8253/3.0=33, 4.0/6073=26...(28) HG12 ILE 56 + HB2 LEU 6 OK 44 100 45 98 3.5-6.0 1.8/10676=42, 205/1.8=34...(22) HG3 ARG 30 - HB2 LEU 6 far 0 100 0 - 5.9-7.7 HG LEU 57 - HB2 LEU 6 far 0 87 0 - 7.2-8.3 HG3 LYS 33 - HB2 LEU 6 far 0 91 0 - 8.2-9.8 HB3 GLU 28 - HB2 LEU 6 far 0 61 0 - 8.8-10.1 HG2 ARG 79 - HB2 LEU 6 far 0 99 0 - 8.8-12.8 HB3 LEU 64 - HB2 LEU 6 far 0 68 0 - 8.9-11.2 HG3 ARG 79 - HB2 LEU 6 far 0 99 0 - 9.1-12.5 HG2 LYS 33 - HB2 LEU 6 far 0 88 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 198 from cnoeabs.peaks (0.69, 1.18, 44.10 ppm; 3.49 A): 6 out of 14 assignments used, quality = 1.00: * QD2 LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.4-3.2 3.1=100 QD1 ILE 56 + HB2 LEU 6 OK 66 91 75 97 2.6-5.6 2.1/10676=37, ~10672=29...(25) HG13 ILE 56 + HB2 LEU 6 OK 58 81 75 96 2.8-5.3 10676=28, ~10672=28...(24) QD1 ILE 8 + HB2 LEU 6 OK 51 88 100 58 3.1-4.9 5.0/8288=11, 2596/8235=9...(15) QD1 LEU 29 + HB2 LEU 6 OK 27 71 60 62 3.8-6.2 ~8684=19, 8687/3.0=16...(14) QG1 VAL 5 + HB2 LEU 6 OK 24 57 50 84 4.7-5.2 4.1/6064=34, 3.2/8220=17...(23) QG1 VAL 58 - HB2 LEU 6 far 7 70 10 - 5.0-6.0 QD1 LEU 42 - HB2 LEU 6 far 0 100 0 - 5.7-7.2 QG2 VAL 78 - HB2 LEU 6 far 0 68 0 - 6.4-8.2 QG2 VAL 54 - HB2 LEU 6 far 0 73 0 - 6.9-7.8 QG2 VAL 58 - HB2 LEU 6 far 0 99 0 - 7.3-8.5 QD2 LEU 14 - HB2 LEU 6 far 0 90 0 - 7.6-8.3 QD1 LEU 14 - HB2 LEU 6 far 0 99 0 - 8.7-9.4 QD1 ILE 52 - HB2 LEU 6 far 0 99 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 199 from cnoeabs.peaks (0.77, 1.18, 44.10 ppm; 3.48 A): 3 out of 17 assignments used, quality = 1.00: * QD1 LEU 6 + HB2 LEU 6 OK 100 100 100 100 2.0-3.2 3.1=100 QG1 VAL 54 + HB2 LEU 6 OK 61 99 75 81 4.5-5.3 10663/6064=30...(15) QG2 ILE 7 + HB2 LEU 6 OK 51 81 70 90 4.7-5.3 8256/3.0=25, 4.0/6073=24...(21) QD2 LEU 57 - HB2 LEU 6 poor 13 85 25 60 4.8-5.9 228/1.8=20, 4.6/6937=14...(11) QD2 LEU 42 - HB2 LEU 6 poor 11 100 30 36 4.5-5.7 223/3.1=8, 207/1.8=7...(12) QG2 ILE 8 - HB2 LEU 6 far 0 96 0 - 5.8-6.5 QG1 VAL 78 - HB2 LEU 6 far 0 85 0 - 7.0-8.2 QG2 ILE 15 - HB2 LEU 6 far 0 59 0 - 7.0-7.9 QD1 ILE 93 - HB2 LEU 6 far 0 100 0 - 7.5-8.2 HG13 ILE 15 - HB2 LEU 6 far 0 96 0 - 8.0-8.8 QD2 LEU 70 - HB2 LEU 6 far 0 63 0 - 8.3-11.2 QD1 ILE 15 - HB2 LEU 6 far 0 99 0 - 8.3-9.1 QD1 LEU 64 - HB2 LEU 6 far 0 79 0 - 8.4-9.6 HG13 ILE 93 - HB2 LEU 6 far 0 82 0 - 8.5-9.8 QD1 ILE 76 - HB2 LEU 6 far 0 77 0 - 8.5-9.6 QG2 ILE 93 - HB2 LEU 6 far 0 92 0 - 9.1-9.7 QD1 LEU 27 - HB2 LEU 6 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 200 from cnoeabs.peaks (8.46, 1.18, 44.10 ppm; 4.52 A): 3 out of 6 assignments used, quality = 1.00: * H ILE 7 + HB2 LEU 6 OK 100 100 100 100 2.1-3.6 4.3=100 H VAL 32 + HB2 LEU 6 OK 81 90 100 91 3.9-5.7 4.0/10337=45...(15) H THR 31 + HB2 LEU 6 OK 28 61 60 75 5.1-6.4 3.0/8221=24, 224/3.1=17...(13) H ALA 67 - HB2 LEU 6 far 0 90 0 - 7.9-9.8 H LEU 29 - HB2 LEU 6 far 0 100 0 - 8.3-9.4 H VAL 54 - HB2 LEU 6 far 0 73 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 201 from cnoeabs.peaks (9.31, 1.65, 44.10 ppm; 4.17 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.4-2.9 4.0=100 H LYS 33 - HB3 LEU 6 far 0 99 0 - 8.7-10.0 Violated in 0 structures by 0.00 A. Peak 202 from cnoeabs.peaks (5.47, 1.65, 44.10 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 203 from cnoeabs.peaks (1.18, 1.65, 44.10 ppm; 3.19 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 6 + HB3 LEU 6 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 31 - HB3 LEU 6 far 0 59 0 - 6.4-7.3 HB2 LEU 57 - HB3 LEU 6 far 0 96 0 - 6.9-8.3 HB2 LEU 29 - HB3 LEU 6 far 0 92 0 - 7.2-8.7 HB3 LEU 3 - HB3 LEU 6 far 0 77 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 204 from cnoeabs.peaks (1.65, 1.65, 44.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + HB3 LEU 6 OK 100 100 - 100 Peak 205 from cnoeabs.peaks (1.52, 1.65, 44.10 ppm; 3.74 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.2-3.0 3.0=100 HG12 ILE 56 + HB3 LEU 6 OK 98 100 100 98 2.3-4.5 3.2/10672=53, ~10676=36...(23) HB ILE 7 - HB3 LEU 6 far 0 100 0 - 5.3-6.5 HG LEU 57 - HB3 LEU 6 far 0 87 0 - 6.8-8.0 HG3 ARG 30 - HB3 LEU 6 far 0 100 0 - 6.8-7.9 HG2 ARG 79 - HB3 LEU 6 far 0 99 0 - 7.3-11.1 HG3 ARG 79 - HB3 LEU 6 far 0 99 0 - 7.5-10.7 HB3 GLU 28 - HB3 LEU 6 far 0 61 0 - 8.5-10.2 HB3 LEU 64 - HB3 LEU 6 far 0 68 0 - 8.6-10.5 HG3 LYS 33 - HB3 LEU 6 far 0 91 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 206 from cnoeabs.peaks (0.69, 1.65, 44.10 ppm; 3.55 A): 6 out of 14 assignments used, quality = 1.00: * QD2 LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.1-3.2 3.1=100 QD1 ILE 56 + HB3 LEU 6 OK 89 91 100 98 1.7-4.6 3.0/10672=50, 2.1/205=31...(25) HG13 ILE 56 + HB3 LEU 6 OK 79 81 100 97 1.8-4.3 3.2/10672=48, 1.8/205=33...(23) QG1 VAL 5 + HB3 LEU 6 OK 49 57 100 85 4.0-4.4 4.1/6065=39, 3.2/8222=15...(22) QD1 ILE 8 + HB3 LEU 6 OK 48 88 90 61 3.4-5.4 2596/10672=20...(15) QD1 LEU 29 + HB3 LEU 6 OK 24 71 60 55 4.1-6.5 ~8684=20, 8687/3.0=16...(9) QG1 VAL 58 - HB3 LEU 6 far 7 70 10 - 4.8-6.2 QG2 VAL 78 - HB3 LEU 6 far 0 68 0 - 5.4-7.1 QD1 LEU 42 - HB3 LEU 6 far 0 100 0 - 5.4-6.9 QG2 VAL 54 - HB3 LEU 6 far 0 73 0 - 5.8-7.0 QG2 VAL 58 - HB3 LEU 6 far 0 99 0 - 7.2-8.5 QD2 LEU 14 - HB3 LEU 6 far 0 90 0 - 7.9-9.2 QD1 ILE 52 - HB3 LEU 6 far 0 99 0 - 8.4-10.8 QD1 LEU 14 - HB3 LEU 6 far 0 99 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 207 from cnoeabs.peaks (0.77, 1.65, 44.10 ppm; 3.54 A): 4 out of 20 assignments used, quality = 1.00: * QD1 LEU 6 + HB3 LEU 6 OK 100 100 100 100 2.4-3.1 3.1=100 QG1 VAL 54 + HB3 LEU 6 OK 87 99 100 88 3.2-4.4 10655=34, 10663/6065=33...(16) QD2 LEU 57 + HB3 LEU 6 OK 54 85 100 63 4.2-5.0 228=27, 226/3.0=14...(11) QD2 LEU 42 + HB3 LEU 6 OK 27 100 80 34 3.7-5.3 223/3.1=8, 215/3.0=7...(11) QG2 ILE 7 - HB3 LEU 6 far 0 81 0 - 5.5-6.3 QG1 VAL 78 - HB3 LEU 6 far 0 85 0 - 5.9-7.3 QG2 ILE 8 - HB3 LEU 6 far 0 96 0 - 6.5-7.5 QD1 ILE 93 - HB3 LEU 6 far 0 100 0 - 6.9-8.0 QD1 LEU 64 - HB3 LEU 6 far 0 79 0 - 7.4-9.1 QD1 ILE 76 - HB3 LEU 6 far 0 77 0 - 7.7-9.4 HG13 ILE 93 - HB3 LEU 6 far 0 82 0 - 7.9-9.1 QG2 ILE 15 - HB3 LEU 6 far 0 59 0 - 7.9-8.8 QD1 LEU 27 - HB3 LEU 6 far 0 100 0 - 8.0-8.9 QD2 LEU 70 - HB3 LEU 6 far 0 63 0 - 8.3-11.1 QG2 ILE 93 - HB3 LEU 6 far 0 92 0 - 8.3-9.0 HG13 ILE 15 - HB3 LEU 6 far 0 96 0 - 8.9-10.1 QD1 ILE 15 - HB3 LEU 6 far 0 99 0 - 9.1-10.3 HG3 ARG 81 - HB3 LEU 6 far 0 75 0 - 9.4-11.4 QD2 LEU 2 - HB3 LEU 6 far 0 61 0 - 9.5-14.0 QG2 ILE 52 - HB3 LEU 6 far 0 99 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 208 from cnoeabs.peaks (8.46, 1.65, 44.10 ppm; 4.94 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 7 + HB3 LEU 6 OK 100 100 100 100 3.1-4.5 4.3=100 H VAL 32 + HB3 LEU 6 OK 46 90 55 93 5.4-7.4 4.0/10160=69, 200/1.8=35...(10) H THR 31 - HB3 LEU 6 far 0 61 0 - 6.8-7.5 H VAL 54 - HB3 LEU 6 far 0 73 0 - 7.6-9.2 H ALA 67 - HB3 LEU 6 far 0 90 0 - 7.8-9.3 H LEU 29 - HB3 LEU 6 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 209 from cnoeabs.peaks (9.31, 1.52, 27.00 ppm; 4.22 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 6 + HG LEU 6 OK 100 100 100 100 2.9-4.8 6065/3.0=72, 6064/3.0=66...(21) H LEU 6 - HG2 ARG 79 far 0 82 0 - 6.5-10.1 H LEU 6 - HG3 ARG 79 far 0 81 0 - 7.0-9.8 H LYS 33 - HG LEU 6 far 0 99 0 - 7.3-10.4 Violated in 6 structures by 0.06 A. Peak 210 from cnoeabs.peaks (5.47, 1.52, 27.00 ppm; 4.45 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 6 + HG LEU 6 OK 100 100 100 100 2.7-3.7 3.7=100 HA LEU 6 - HG2 ARG 79 far 0 82 0 - 9.3-13.0 HA LEU 6 - HG3 ARG 79 far 0 81 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 211 from cnoeabs.peaks (1.18, 1.52, 27.00 ppm; 3.99 A): 1 out of 14 assignments used, quality = 1.00: * HB2 LEU 6 + HG LEU 6 OK 100 100 100 100 2.4-3.0 3.0=100 QG2 THR 31 - HG LEU 6 far 3 59 5 - 5.4-7.9 HB3 LEU 3 - HG LEU 2 far 0 60 0 - 5.8-8.4 HB3 LEU 3 - HG3 ARG 79 far 0 56 0 - 7.6-13.2 HB2 LEU 29 - HG LEU 6 far 0 92 0 - 7.7-9.0 HB3 LEU 3 - HG2 ARG 79 far 0 57 0 - 7.7-12.5 HB3 LEU 3 - HG LEU 6 far 0 77 0 - 8.6-12.2 HB2 LEU 57 - HG LEU 6 far 0 96 0 - 8.7-10.4 HB2 LEU 6 - HG2 ARG 79 far 0 82 0 - 8.8-12.8 HB2 LEU 57 - HG3 ARG 79 far 0 74 0 - 8.9-12.0 HB2 LEU 57 - HG2 ARG 79 far 0 75 0 - 9.1-12.2 HB2 LEU 6 - HG3 ARG 79 far 0 81 0 - 9.1-12.5 HG2 LYS 40 - HG LEU 6 far 0 90 0 - 9.6-12.3 QG2 THR 34 - HG LEU 6 far 0 100 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 212 from cnoeabs.peaks (1.65, 1.52, 27.00 ppm; 3.14 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LEU 6 + HG LEU 6 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 79 + HG2 ARG 79 OK 81 81 100 100 2.4-3.0 3.0=100 HB3 ARG 79 + HG3 ARG 79 OK 80 80 100 100 2.3-3.0 3.0=100 HB ILE 52 + HG LEU 2 OK 66 72 95 96 1.8-5.4 ~12039=21, 2345/2.1=20...(36) HB3 LYS 53 - HG2 ARG 79 far 2 45 5 - 4.4-8.2 HB3 LYS 53 - HG3 ARG 79 far 0 45 0 - 4.7-9.0 HD3 LYS 68 - HG3 ARG 79 far 0 81 0 - 6.1-11.4 HG2 LYS 68 - HG2 ARG 79 far 0 81 0 - 6.2-11.6 HB3 LYS 53 - HG LEU 2 far 0 49 0 - 6.2-9.5 HG2 LYS 68 - HG3 ARG 79 far 0 80 0 - 6.6-12.4 HB3 LEU 6 - HG2 ARG 79 far 0 82 0 - 7.3-11.1 HD3 LYS 68 - HG2 ARG 79 far 0 82 0 - 7.3-10.8 HB3 LEU 6 - HG3 ARG 79 far 0 81 0 - 7.5-10.7 HD2 LYS 68 - HG3 ARG 79 far 0 81 0 - 7.6-12.7 HB ILE 76 - HG2 ARG 79 far 0 82 0 - 8.0-11.5 HB3 LYS 40 - HG LEU 6 far 0 68 0 - 8.2-10.3 HB ILE 76 - HG LEU 6 far 0 100 0 - 8.3-11.2 HB3 ARG 79 - HG LEU 6 far 0 100 0 - 8.3-11.9 HB ILE 76 - HG3 ARG 79 far 0 81 0 - 8.5-11.5 HB3 LYS 53 - HG LEU 6 far 0 63 0 - 8.5-12.1 HD2 LYS 68 - HG2 ARG 79 far 0 82 0 - 8.7-12.0 HB ILE 52 - HG LEU 6 far 0 90 0 - 9.4-12.9 HB2 LYS 40 - HG LEU 6 far 0 100 0 - 9.5-11.6 HB ILE 76 - HG LEU 2 far 0 86 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 213 from cnoeabs.peaks (1.52, 1.52, 27.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 6 + HG LEU 6 OK 100 100 - 100 HG LEU 2 + HG LEU 2 OK 84 84 - 100 HG2 ARG 79 + HG2 ARG 79 OK 80 80 - 100 HG3 ARG 79 + HG3 ARG 79 OK 78 78 - 100 Peak 214 from cnoeabs.peaks (0.69, 1.52, 27.00 ppm; 3.05 A): 4 out of 42 assignments used, quality = 1.00: * QD2 LEU 6 + HG LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 56 + HG LEU 6 OK 71 91 85 92 1.9-6.4 2597=30, 2.1/2589=22...(25) HG13 ILE 56 + HG LEU 6 OK 47 81 65 90 2.2-5.9 2589=24, 2.1/2597=23...(22) QD1 ILE 52 + HG LEU 2 OK 40 85 50 94 3.1-5.1 ~12039=27, 12275/3.0=26...(28) QG1 VAL 5 - HG LEU 6 poor 17 57 30 - 4.4-6.0 QD1 LEU 29 - HG LEU 6 far 11 71 15 - 4.4-6.9 QD1 ILE 56 - HG2 ARG 79 far 7 69 10 - 3.5-9.5 QG2 VAL 78 - HG3 ARG 79 far 5 48 10 - 4.2-6.1 QG2 VAL 78 - HG2 ARG 79 far 2 49 5 - 4.3-6.0 QD1 ILE 56 - HG3 ARG 79 far 0 68 0 - 4.6-8.6 QG2 VAL 54 - HG LEU 6 far 0 73 0 - 4.6-7.1 QD1 LEU 42 - HG LEU 6 far 0 100 0 - 4.7-6.6 QD1 ILE 8 - HG LEU 6 far 0 88 0 - 4.8-6.5 QG2 VAL 54 - HG LEU 2 far 0 57 0 - 5.1-7.7 QG2 VAL 54 - HG2 ARG 79 far 0 53 0 - 5.4-9.0 QG1 VAL 5 - HG2 ARG 79 far 0 41 0 - 5.6-8.6 QG2 VAL 78 - HG LEU 6 far 0 68 0 - 5.6-8.4 QG2 VAL 54 - HG3 ARG 79 far 0 53 0 - 5.6-9.3 HG13 ILE 56 - HG3 ARG 79 far 0 59 0 - 6.0-9.4 QG1 VAL 5 - HG3 ARG 79 far 0 40 0 - 6.5-8.8 HG13 ILE 56 - HG2 ARG 79 far 0 60 0 - 6.6-10.2 QG1 VAL 58 - HG LEU 6 far 0 70 0 - 6.7-7.5 QG1 VAL 58 - HG2 ARG 79 far 0 50 0 - 7.5-10.3 QD2 LEU 6 - HG2 ARG 79 far 0 82 0 - 7.7-11.2 QD1 ILE 52 - HG LEU 6 far 0 99 0 - 7.7-9.5 QD2 LEU 6 - HG3 ARG 79 far 0 81 0 - 7.8-10.9 QD1 LEU 29 - HG2 ARG 79 far 0 52 0 - 8.2-13.6 QD1 ILE 52 - HG2 ARG 79 far 0 80 0 - 8.2-12.4 QG2 VAL 58 - HG2 ARG 79 far 0 79 0 - 8.3-10.9 QG1 VAL 58 - HG3 ARG 79 far 0 49 0 - 8.3-10.6 QD2 LEU 14 - HG LEU 6 far 0 90 0 - 8.5-10.3 QD1 LEU 42 - HG3 ARG 79 far 0 81 0 - 8.5-11.2 QG2 VAL 58 - HG3 ARG 79 far 0 78 0 - 8.5-11.0 QD1 ILE 8 - HG2 ARG 79 far 0 67 0 - 8.6-11.4 QD1 ILE 52 - HG3 ARG 79 far 0 79 0 - 8.7-12.6 QD1 LEU 29 - HG3 ARG 79 far 0 51 0 - 8.9-13.6 QG2 VAL 58 - HG LEU 6 far 0 99 0 - 9.0-9.9 QD1 ILE 8 - HG3 ARG 79 far 0 66 0 - 9.0-11.4 QD1 LEU 42 - HG2 ARG 79 far 0 82 0 - 9.0-11.4 QD2 LEU 6 - HG LEU 2 far 0 87 0 - 9.1-11.7 QD1 ILE 56 - HG LEU 2 far 0 73 0 - 9.8-12.6 QD1 LEU 14 - HG LEU 6 far 0 99 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 215 from cnoeabs.peaks (0.77, 1.52, 27.00 ppm; 2.99 A): 5 out of 54 assignments used, quality = 1.00: * QD1 LEU 6 + HG LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 54 + HG LEU 6 OK 79 99 95 84 2.1-5.0 10209=35, 10663/209=19...(18) QG2 ILE 52 + HG LEU 2 OK 56 85 70 94 1.8-6.1 12274/3.0=21, 2.1/70=17...(32) QD2 LEU 2 + HG LEU 2 OK 47 47 100 100 2.1-2.1 2.1=100 QD2 LEU 42 + HG LEU 6 OK 36 100 95 38 2.9-5.5 223/2.1=8, ~1932=5...(14) HG3 ARG 81 - HG3 ARG 79 far 5 54 10 - 3.6-6.7 HG3 ARG 81 - HG2 ARG 79 far 3 55 5 - 4.4-7.4 QD2 LEU 57 - HG2 ARG 79 far 0 64 0 - 4.9-7.7 QG1 VAL 54 - HG3 ARG 79 far 0 79 0 - 5.0-8.6 QG2 ILE 7 - HG LEU 6 far 0 81 0 - 5.1-7.2 QG1 VAL 78 - HG2 ARG 79 far 0 64 0 - 5.2-7.7 QD1 LEU 64 - HG2 ARG 79 far 0 58 0 - 5.2-8.4 QD2 LEU 57 - HG LEU 6 far 0 85 0 - 5.3-7.0 QG1 VAL 78 - HG3 ARG 79 far 0 63 0 - 5.4-7.8 QG1 VAL 78 - HG LEU 6 far 0 85 0 - 5.4-8.1 QD2 LEU 57 - HG3 ARG 79 far 0 63 0 - 5.7-7.5 QD1 LEU 64 - HG3 ARG 79 far 0 57 0 - 5.7-8.5 QG1 VAL 54 - HG2 ARG 79 far 0 80 0 - 5.8-8.7 QD1 ILE 76 - HG LEU 6 far 0 77 0 - 6.5-9.0 QG2 ILE 8 - HG LEU 6 far 0 96 0 - 6.5-8.7 QG1 VAL 54 - HG LEU 2 far 0 84 0 - 6.8-9.6 QG2 ILE 15 - HG LEU 6 far 0 59 0 - 7.1-9.4 QD2 LEU 42 - HG2 ARG 79 far 0 82 0 - 7.3-9.6 QG2 ILE 52 - HG3 ARG 79 far 0 79 0 - 7.4-13.2 QD1 ILE 93 - HG LEU 6 far 0 100 0 - 7.5-9.3 QG2 ILE 52 - HG2 ARG 79 far 0 80 0 - 7.6-13.2 QD1 LEU 27 - HG LEU 2 far 0 87 0 - 7.7-9.8 QD1 LEU 27 - HG LEU 6 far 0 100 0 - 7.8-9.6 QD2 LEU 42 - HG3 ARG 79 far 0 81 0 - 7.8-10.6 QG1 VAL 78 - HG LEU 2 far 0 68 0 - 8.0-11.0 QD1 LEU 27 - HG2 ARG 79 far 0 82 0 - 8.0-10.2 QD1 LEU 27 - HG3 ARG 79 far 0 81 0 - 8.0-10.7 HG13 ILE 93 - HG LEU 6 far 0 82 0 - 8.1-10.9 QG2 ILE 52 - HG LEU 6 far 0 99 0 - 8.1-12.3 QD1 ILE 76 - HG LEU 2 far 0 60 0 - 8.1-11.1 QD1 LEU 6 - HG2 ARG 79 far 0 82 0 - 8.1-12.3 QD2 LEU 2 - HG LEU 6 far 0 61 0 - 8.1-12.3 QG2 ILE 93 - HG LEU 6 far 0 92 0 - 8.2-10.2 HG13 ILE 15 - HG LEU 6 far 0 96 0 - 8.3-10.9 QG2 ILE 93 - HG2 ARG 79 far 0 70 0 - 8.3-10.8 HG13 ILE 93 - HG2 ARG 79 far 0 61 0 - 8.4-11.7 QG2 ILE 93 - HG3 ARG 79 far 0 69 0 - 8.4-11.2 QD2 LEU 70 - HG LEU 6 far 0 63 0 - 8.6-11.3 QD1 ILE 93 - HG2 ARG 79 far 0 82 0 - 8.6-11.3 QD1 LEU 64 - HG LEU 6 far 0 79 0 - 8.6-10.8 QD2 LEU 42 - HG LEU 2 far 0 86 0 - 8.7-12.4 HG13 ILE 93 - HG3 ARG 79 far 0 60 0 - 8.7-11.9 QD1 ILE 15 - HG LEU 6 far 0 99 0 - 8.8-11.0 QD1 ILE 76 - HG2 ARG 79 far 0 57 0 - 8.9-11.6 QD1 ILE 76 - HG3 ARG 79 far 0 56 0 - 8.9-11.7 QD1 LEU 6 - HG3 ARG 79 far 0 81 0 - 8.9-11.7 QD1 ILE 93 - HG3 ARG 79 far 0 81 0 - 9.1-11.3 QD1 LEU 6 - HG LEU 2 far 0 87 0 - 9.9-13.5 QD2 LEU 2 - HG2 ARG 79 far 0 44 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 216 from cnoeabs.peaks (8.46, 1.52, 27.00 ppm; 4.66 A): 2 out of 13 assignments used, quality = 1.00: * H ILE 7 + HG LEU 6 OK 100 100 100 100 2.8-5.4 6072/3.7=83, 6074/3.0=74...(21) H LYS 53 + HG LEU 2 OK 72 84 100 86 2.6-5.9 6870/2.1=35, 9184/3.0=29...(16) H VAL 54 - HG2 ARG 79 poor 11 53 20 - 3.5-7.7 H VAL 54 - HG3 ARG 79 poor 11 53 20 - 3.9-8.1 H VAL 32 - HG LEU 6 far 4 90 5 - 4.7-7.8 H THR 31 - HG LEU 6 far 3 61 5 - 4.5-7.6 H VAL 54 - HG LEU 6 far 0 73 0 - 6.4-10.4 H VAL 54 - HG LEU 2 far 0 57 0 - 7.0-10.3 H LYS 53 - HG2 ARG 79 far 0 80 0 - 7.5-11.8 H LEU 29 - HG LEU 6 far 0 100 0 - 7.7-9.2 H LYS 53 - HG3 ARG 79 far 0 79 0 - 8.2-12.4 H ALA 67 - HG LEU 6 far 0 90 0 - 8.6-10.4 H LYS 53 - HG LEU 6 far 0 99 0 - 8.9-12.4 Violated in 1 structures by 0.00 A. Peak 217 from cnoeabs.peaks (9.31, 0.69, 24.21 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.8-4.4 4.6=100 H LYS 33 - QD2 LEU 6 far 0 99 0 - 6.5-8.6 H LEU 6 - QD2 LEU 14 far 0 72 0 - 7.5-8.3 H LYS 33 - QD2 LEU 14 far 0 69 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 218 from cnoeabs.peaks (5.47, 0.69, 24.21 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.97: * HA LEU 6 + QD2 LEU 6 OK 97 100 100 97 1.8-3.8 4.0=61, 8698/10232=34...(21) HA LEU 6 - QD2 LEU 14 far 0 72 0 - 7.3-7.6 Violated in 1 structures by 0.02 A. Peak 219 from cnoeabs.peaks (1.18, 0.69, 24.21 ppm; 3.72 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.4-3.2 3.1=100 HB2 LEU 57 + QD2 LEU 14 OK 45 65 95 73 3.5-5.3 9819/10403=17...(20) QG2 THR 31 - QD2 LEU 6 poor 15 59 25 - 5.1-6.2 QG2 THR 31 - QD2 LEU 14 poor 11 36 100 32 4.2-4.9 8314/6107=12...(7) HB2 LEU 29 - QD2 LEU 6 far 9 92 10 - 5.0-8.0 HG2 LYS 40 - QD2 LEU 6 far 0 90 0 - 7.5-9.4 HB2 LEU 29 - QD2 LEU 14 far 0 61 0 - 7.5-8.7 HB2 LEU 6 - QD2 LEU 14 far 0 72 0 - 7.6-8.3 HB3 LEU 3 - QD2 LEU 6 far 0 77 0 - 7.6-9.2 HB2 LEU 57 - QD2 LEU 6 far 0 96 0 - 7.9-8.6 QG2 THR 34 - QD2 LEU 6 far 0 100 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 220 from cnoeabs.peaks (1.65, 0.69, 24.21 ppm; 3.76 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.1-3.2 3.1=100 HB3 LYS 40 - QD2 LEU 6 far 0 68 0 - 6.4-8.2 HB ILE 76 - QD2 LEU 6 far 0 100 0 - 7.3-8.7 HB2 LYS 40 - QD2 LEU 6 far 0 100 0 - 7.4-9.5 HD3 LYS 20 - QD2 LEU 14 far 0 54 0 - 7.8-10.7 HB3 LEU 6 - QD2 LEU 14 far 0 72 0 - 7.9-9.2 HD2 LYS 20 - QD2 LEU 14 far 0 50 0 - 8.0-9.9 HG3 LYS 20 - QD2 LEU 14 far 0 54 0 - 8.0-9.9 HB3 LYS 53 - QD2 LEU 6 far 0 63 0 - 8.2-9.4 HB ILE 52 - QD2 LEU 6 far 0 90 0 - 8.3-10.5 HB3 ARG 79 - QD2 LEU 6 far 0 100 0 - 8.4-10.0 HD2 LYS 39 - QD2 LEU 6 far 0 100 0 - 8.9-11.5 HD3 LYS 39 - QD2 LEU 6 far 0 100 0 - 8.9-11.7 HB3 ARG 91 - QD2 LEU 14 far 0 43 0 - 9.0-11.0 HD3 LYS 47 - QD2 LEU 6 far 0 71 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 221 from cnoeabs.peaks (1.52, 0.69, 24.21 ppm; 3.14 A): 4 out of 26 assignments used, quality = 1.00: * HG LEU 6 + QD2 LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 HG3 ARG 30 + QD2 LEU 6 OK 85 100 95 89 3.1-6.0 3.0/8722=28, 2.9/8717=24...(22) HB2 LEU 14 + QD2 LEU 14 OK 72 72 100 100 2.9-3.1 3.1=100 HB ILE 7 + QD2 LEU 14 OK 59 72 100 82 4.0-4.4 600=20, ~11079=16...(26) HG12 ILE 56 - QD2 LEU 6 poor 20 100 20 - 3.0-6.0 HB3 GLU 28 - QD2 LEU 6 far 0 61 0 - 4.7-7.1 HG LEU 57 - QD2 LEU 14 far 0 56 0 - 4.7-6.2 HB ILE 7 - QD2 LEU 6 far 0 100 0 - 5.1-6.4 HG3 LYS 13 - QD2 LEU 14 far 0 51 0 - 5.2-6.3 HG LEU 57 - QD2 LEU 6 far 0 87 0 - 7.5-8.3 HG3 LYS 33 - QD2 LEU 6 far 0 91 0 - 7.6-9.5 HG2 ARG 79 - QD2 LEU 6 far 0 99 0 - 7.7-11.2 HG3 ARG 79 - QD2 LEU 6 far 0 99 0 - 7.8-10.9 HB2 LEU 3 - QD2 LEU 6 far 0 81 0 - 7.8-10.0 HG LEU 6 - QD2 LEU 14 far 0 72 0 - 8.5-10.3 HB3 LEU 64 - QD2 LEU 14 far 0 42 0 - 8.6-9.7 HB2 ARG 91 - QD2 LEU 14 far 0 36 0 - 9.0-10.4 HB3 LEU 64 - QD2 LEU 6 far 0 68 0 - 9.0-11.7 HG2 LYS 33 - QD2 LEU 6 far 0 88 0 - 9.1-10.8 HG LEU 2 - QD2 LEU 6 far 0 99 0 - 9.1-11.7 HG12 ILE 56 - QD2 LEU 14 far 0 71 0 - 9.6-11.0 HG3 LYS 33 - QD2 LEU 14 far 0 60 0 - 9.6-10.9 HD3 LYS 53 - QD2 LEU 6 far 0 82 0 - 9.7-11.9 HG3 LYS 66 - QD2 LEU 6 far 0 73 0 - 9.8-13.0 HG2 LYS 47 - QD2 LEU 6 far 0 70 0 - 9.8-14.0 HG3 ARG 30 - QD2 LEU 14 far 0 72 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 222 from cnoeabs.peaks (0.69, 0.69, 24.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 6 + QD2 LEU 6 OK 100 100 - 100 QD2 LEU 14 + QD2 LEU 14 OK 59 59 - 100 Peak 223 from cnoeabs.peaks (0.77, 0.69, 24.21 ppm; 2.77 A): 7 out of 33 assignments used, quality = 1.00: * QD1 LEU 6 + QD2 LEU 6 OK 100 100 100 100 1.9-2.1 2.1=100 QG1 VAL 54 + QD2 LEU 6 OK 80 99 100 81 2.4-3.5 10209/2.1=21...(23) QD1 ILE 15 + QD2 LEU 14 OK 47 69 100 68 2.3-2.8 678/12020=13...(19) QD2 LEU 42 + QD2 LEU 6 OK 46 100 90 51 2.8-4.3 1948=7, 2.1/1932=7...(20) HG13 ILE 15 + QD2 LEU 14 OK 39 65 100 60 3.3-4.0 669/4.9=14, 670/12020=12...(17) QG2 ILE 7 + QD2 LEU 14 OK 37 51 100 72 2.8-3.1 ~11079=12, 3.0/10272=12...(24) QG2 ILE 15 + QD2 LEU 14 OK 23 36 95 67 3.7-4.5 3.2/12020=16, 303=13...(20) QD2 LEU 57 - QD2 LEU 6 far 0 85 0 - 4.9-6.2 QD1 ILE 93 - QD2 LEU 14 far 0 72 0 - 4.9-6.2 QD2 LEU 57 - QD2 LEU 14 far 0 55 0 - 5.0-6.0 QG1 VAL 78 - QD2 LEU 6 far 0 85 0 - 5.0-6.2 QG2 ILE 7 - QD2 LEU 6 far 0 81 0 - 5.1-5.8 QG2 ILE 8 - QD2 LEU 14 far 0 65 0 - 5.7-6.2 QG2 ILE 8 - QD2 LEU 6 far 0 96 0 - 5.8-7.6 QD1 ILE 76 - QD2 LEU 6 far 0 77 0 - 5.9-7.1 QD1 ILE 93 - QD2 LEU 6 far 0 100 0 - 6.2-8.0 QD1 LEU 27 - QD2 LEU 6 far 0 100 0 - 6.4-8.1 QG2 ILE 15 - QD2 LEU 6 far 0 59 0 - 6.5-7.6 HG13 ILE 93 - QD2 LEU 6 far 0 82 0 - 6.8-9.0 HG13 ILE 93 - QD2 LEU 14 far 0 53 0 - 6.8-8.2 QD2 LEU 2 - QD2 LEU 6 far 0 61 0 - 6.8-10.1 QG2 ILE 93 - QD2 LEU 6 far 0 92 0 - 6.9-8.8 QG2 ILE 52 - QD2 LEU 6 far 0 99 0 - 7.2-9.2 QD1 LEU 6 - QD2 LEU 14 far 0 72 0 - 7.4-8.6 QD2 LEU 70 - QD2 LEU 6 far 0 63 0 - 7.6-10.1 QG2 ILE 93 - QD2 LEU 14 far 0 61 0 - 7.6-8.8 HG13 ILE 15 - QD2 LEU 6 far 0 96 0 - 7.9-8.8 QD1 ILE 15 - QD2 LEU 6 far 0 99 0 - 8.2-8.8 QD1 LEU 64 - QD2 LEU 14 far 0 50 0 - 8.4-9.3 QD1 LEU 64 - QD2 LEU 6 far 0 79 0 - 8.5-9.7 QD1 LEU 27 - QD2 LEU 14 far 0 72 0 - 9.2-10.3 QG1 VAL 54 - QD2 LEU 14 far 0 70 0 - 9.5-10.3 HG3 ARG 81 - QD2 LEU 14 far 0 47 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 224 from cnoeabs.peaks (8.46, 0.69, 24.21 ppm; 4.10 A): 4 out of 11 assignments used, quality = 1.00: * H ILE 7 + QD2 LEU 6 OK 100 100 100 100 3.4-4.0 6072/218=74, 6074/3.1=58...(21) H THR 31 + QD2 LEU 6 OK 56 61 100 91 4.2-5.6 4.6/10232=40...(17) H LEU 29 + QD2 LEU 6 OK 49 100 75 65 5.2-7.7 4.6/10232=40...(11) H VAL 32 + QD2 LEU 6 OK 24 90 40 68 5.0-6.2 200/3.1=20, 4.6/8737=17...(10) H ILE 7 - QD2 LEU 14 far 0 72 0 - 5.9-6.3 H VAL 32 - QD2 LEU 14 far 0 59 0 - 6.4-7.1 H VAL 54 - QD2 LEU 6 far 0 73 0 - 6.6-7.9 H ALA 67 - QD2 LEU 6 far 0 90 0 - 7.0-10.1 H LYS 53 - QD2 LEU 6 far 0 99 0 - 7.7-9.1 H THR 31 - QD2 LEU 14 far 0 37 0 - 8.1-8.9 H LEU 29 - QD2 LEU 14 far 0 71 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 225 from cnoeabs.peaks (9.31, 0.77, 25.58 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 6 + QD1 LEU 6 OK 100 100 100 100 3.5-4.6 4.6=100 H LEU 6 + QD2 LEU 57 OK 63 68 100 93 2.9-3.8 9333/4.6=49, 6068=26...(19) H LYS 33 - QD1 LEU 6 poor 12 99 30 40 5.7-7.9 4.4/12056=12, 4.6/232=10...(7) Violated in 0 structures by 0.00 A. Peak 226 from cnoeabs.peaks (5.47, 0.77, 25.58 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 6 + QD1 LEU 6 OK 100 100 100 100 1.9-3.8 4.0=100 HA LEU 6 + QD2 LEU 57 OK 55 68 100 81 4.3-5.9 3.0/228=23, 2.9/225=22...(14) Violated in 0 structures by 0.00 A. Peak 227 from cnoeabs.peaks (1.18, 0.77, 25.58 ppm; 3.33 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.0-3.2 3.1=100 HB2 LEU 57 + QD2 LEU 57 OK 61 61 100 100 3.1-3.2 3.1=100 QG2 THR 31 - QD1 LEU 6 poor 15 59 25 - 4.6-6.6 HB2 LEU 6 - QD2 LEU 57 far 3 68 5 - 4.8-5.9 HB2 LEU 29 - QD2 LEU 57 far 3 57 5 - 4.7-8.3 HB2 LEU 29 - QD1 LEU 6 far 0 92 0 - 5.4-8.2 QG2 THR 31 - QD2 LEU 57 far 0 33 0 - 6.1-7.5 HG2 LYS 40 - QD1 LEU 6 far 0 90 0 - 7.0-8.6 QG2 THR 34 - QD1 LEU 6 far 0 100 0 - 7.5-9.7 HB2 LEU 57 - QD1 LEU 6 far 0 96 0 - 7.8-8.6 HB3 LEU 3 - QD2 LEU 57 far 0 45 0 - 8.0-9.9 HB3 LEU 3 - QD1 LEU 6 far 0 77 0 - 8.2-11.5 Violated in 0 structures by 0.00 A. Peak 228 from cnoeabs.peaks (1.65, 0.77, 25.58 ppm; 3.62 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.4-3.1 3.1=100 HB3 LEU 6 + QD2 LEU 57 OK 41 68 100 61 4.2-5.0 207=20, 3.0/226=15...(10) HB3 ARG 79 - QD2 LEU 57 far 0 67 0 - 5.8-7.3 HB3 LYS 40 - QD1 LEU 6 far 0 68 0 - 5.9-7.4 HB ILE 76 - QD1 LEU 6 far 0 100 0 - 6.8-9.4 HB2 LYS 40 - QD1 LEU 6 far 0 100 0 - 7.1-8.8 HB3 ARG 91 - QD2 LEU 57 far 0 40 0 - 7.4-9.0 HB3 ARG 79 - QD1 LEU 6 far 0 100 0 - 7.8-10.9 HD2 LYS 39 - QD1 LEU 6 far 0 100 0 - 8.0-11.2 HB3 LYS 53 - QD2 LEU 57 far 0 36 0 - 8.1-10.0 HD3 LYS 39 - QD1 LEU 6 far 0 100 0 - 8.1-11.1 HB3 LYS 53 - QD1 LEU 6 far 0 63 0 - 8.2-11.5 HG2 LYS 68 - QD2 LEU 57 far 0 67 0 - 8.2-11.8 HD2 LYS 94 - QD2 LEU 57 far 0 53 0 - 8.2-10.4 HB ILE 52 - QD1 LEU 6 far 0 90 0 - 8.4-12.5 HG2 LYS 68 - QD1 LEU 6 far 0 100 0 - 8.5-12.6 HD3 LYS 68 - QD2 LEU 57 far 0 68 0 - 9.0-10.7 HD3 LYS 68 - QD1 LEU 6 far 0 100 0 - 9.2-12.8 HG3 LYS 20 - QD2 LEU 57 far 0 50 0 - 9.4-12.7 HD2 LYS 68 - QD1 LEU 6 far 0 100 0 - 9.4-13.9 Violated in 0 structures by 0.00 A. Peak 229 from cnoeabs.peaks (1.52, 0.77, 25.58 ppm; 3.09 A): 4 out of 30 assignments used, quality = 1.00: * HG LEU 6 + QD1 LEU 6 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 56 + QD1 LEU 6 OK 58 100 70 83 2.2-6.5 2.1/230=19, 205/3.1=18...(17) HG LEU 57 + QD2 LEU 57 OK 53 53 100 100 2.1-2.1 2.1=100 HG3 ARG 30 + QD1 LEU 6 OK 29 100 35 82 3.9-6.0 ~8722=17, 221/2.1=17...(21) HB ILE 7 - QD2 LEU 57 poor 19 68 30 95 3.5-5.5 8277/3.1=27, ~8284=13...(36) HB ILE 7 - QD1 LEU 6 far 0 100 0 - 4.9-6.6 HG2 ARG 79 - QD2 LEU 57 far 0 66 0 - 4.9-7.7 HB3 GLU 28 - QD1 LEU 6 far 0 61 0 - 4.9-8.2 HG12 ILE 56 - QD2 LEU 57 far 0 67 0 - 4.9-5.9 HG LEU 6 - QD2 LEU 57 far 0 68 0 - 5.3-7.0 HB3 LEU 103 - QD2 LEU 57 far 0 68 0 - 5.5-13.0 HG3 ARG 79 - QD2 LEU 57 far 0 65 0 - 5.7-7.5 HB3 LEU 64 - QD2 LEU 57 far 0 38 0 - 6.0-8.3 HG3 LYS 33 - QD1 LEU 6 far 0 91 0 - 6.6-8.6 HB2 ARG 91 - QD2 LEU 57 far 0 33 0 - 7.3-8.4 HG LEU 57 - QD1 LEU 6 far 0 87 0 - 7.7-8.7 HG3 ARG 30 - QD2 LEU 57 far 0 67 0 - 7.8-10.3 HB2 LEU 3 - QD2 LEU 57 far 0 48 0 - 8.0-10.0 HB2 LEU 14 - QD2 LEU 57 far 0 68 0 - 8.0-8.9 HG2 LYS 33 - QD1 LEU 6 far 0 88 0 - 8.0-9.8 HG2 ARG 79 - QD1 LEU 6 far 0 99 0 - 8.1-12.3 HG3 LYS 66 - QD1 LEU 6 far 0 73 0 - 8.3-12.2 HB3 LEU 64 - QD1 LEU 6 far 0 68 0 - 8.5-10.6 HB2 LEU 3 - QD1 LEU 6 far 0 81 0 - 8.6-11.2 HG3 ARG 79 - QD1 LEU 6 far 0 99 0 - 8.9-11.7 HG2 LYS 66 - QD1 LEU 6 far 0 70 0 - 9.0-12.7 HD3 LYS 53 - QD2 LEU 57 far 0 49 0 - 9.0-11.3 HB3 GLU 28 - QD2 LEU 57 far 0 35 0 - 9.2-10.7 HD3 LYS 53 - QD1 LEU 6 far 0 82 0 - 9.5-13.1 HG LEU 2 - QD1 LEU 6 far 0 99 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 230 from cnoeabs.peaks (0.69, 0.77, 25.58 ppm; 2.56 A): 4 out of 28 assignments used, quality = 1.00: * QD2 LEU 6 + QD1 LEU 6 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 56 + QD1 LEU 6 OK 60 91 90 73 1.9-5.4 324=18, 2597/2.1=14...(21) HG13 ILE 56 + QD1 LEU 6 OK 33 81 60 68 2.0-5.9 2.1/324=12, 2589/2.1=12...(17) QD1 LEU 42 + QD1 LEU 6 OK 23 100 60 39 3.4-5.9 6676/6677=6, 2.1/1933=5...(17) QD1 ILE 56 - QD2 LEU 57 poor 20 56 35 - 3.8-5.0 QD1 LEU 29 - QD1 LEU 6 poor 14 71 20 - 3.9-6.3 QG1 VAL 5 - QD2 LEU 57 poor 12 32 100 37 1.8-3.4 10695/2.1=5, 4.1/6068=5...(14) QD1 ILE 8 - QD1 LEU 6 poor 9 88 40 26 3.6-6.0 2.1/308=5, 198/3.1=4...(9) QG2 VAL 54 - QD1 LEU 6 far 4 73 5 - 3.9-6.9 QD1 LEU 29 - QD2 LEU 57 lone 2 41 50 12 2.8-6.7 8671/3.1=4, ~9355=2...(4) QG1 VAL 5 - QD1 LEU 6 far 0 57 0 - 4.2-5.5 QG2 VAL 78 - QD1 LEU 6 far 0 68 0 - 4.5-7.3 QD1 ILE 8 - QD2 LEU 57 far 0 54 0 - 4.6-6.4 HG13 ILE 56 - QD2 LEU 57 far 0 48 0 - 4.7-5.9 QG1 VAL 58 - QD2 LEU 57 far 0 40 0 - 4.7-5.2 QD2 LEU 6 - QD2 LEU 57 far 0 68 0 - 4.9-6.2 QD2 LEU 14 - QD2 LEU 57 far 0 55 0 - 5.0-6.0 QG2 VAL 58 - QD2 LEU 57 far 0 64 0 - 5.0-6.2 QD1 LEU 14 - QD2 LEU 57 far 0 66 0 - 5.1-5.7 QG1 VAL 58 - QD1 LEU 6 far 0 70 0 - 5.2-7.0 QG2 VAL 78 - QD2 LEU 57 far 0 38 0 - 6.3-7.2 QD1 ILE 52 - QD1 LEU 6 far 0 99 0 - 6.6-8.3 QG2 VAL 54 - QD2 LEU 57 far 0 42 0 - 6.9-7.7 QG2 VAL 58 - QD1 LEU 6 far 0 99 0 - 7.3-8.9 QD2 LEU 14 - QD1 LEU 6 far 0 90 0 - 7.4-8.6 QD1 LEU 42 - QD2 LEU 57 far 0 68 0 - 7.8-9.0 QD1 LEU 14 - QD1 LEU 6 far 0 99 0 - 8.7-9.6 QD1 ILE 52 - QD2 LEU 57 far 0 66 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 231 from cnoeabs.peaks (0.77, 0.77, 25.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 6 + QD1 LEU 6 OK 100 100 - 100 QD2 LEU 57 + QD2 LEU 57 OK 51 51 - 100 Peak 232 from cnoeabs.peaks (8.46, 0.77, 25.58 ppm; 4.72 A): 4 out of 14 assignments used, quality = 1.00: * H ILE 7 + QD1 LEU 6 OK 100 100 100 100 2.4-4.2 6072/4.0=79, 6074/3.1=73...(20) H ILE 7 + QD2 LEU 57 OK 67 68 100 99 4.0-5.8 8237/4.6=41, ~8272=38...(19) H VAL 32 + QD1 LEU 6 OK 59 90 100 66 3.9-5.8 200/3.1=26, 208/3.1=19...(12) H THR 31 + QD1 LEU 6 OK 46 61 100 75 3.6-6.1 4.6/8713=22, 224/2.1=21...(13) H LEU 29 - QD1 LEU 6 far 5 100 5 - 5.1-8.3 H VAL 54 - QD1 LEU 6 far 4 73 5 - 6.1-9.9 H ALA 67 - QD1 LEU 6 far 0 90 0 - 6.3-9.4 H LEU 29 - QD2 LEU 57 far 0 67 0 - 7.1-9.3 H VAL 54 - QD2 LEU 57 far 0 42 0 - 7.2-8.1 H VAL 32 - QD2 LEU 57 far 0 55 0 - 7.4-8.5 H THR 31 - QD2 LEU 57 far 0 35 0 - 8.1-9.7 H LYS 53 - QD1 LEU 6 far 0 99 0 - 8.3-11.5 H ALA 67 - QD2 LEU 57 far 0 55 0 - 8.7-9.7 H LYS 53 - QD2 LEU 57 far 0 66 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 233 from cnoeabs.peaks (8.46, 5.13, 58.46 ppm; 4.31 A): 2 out of 5 assignments used, quality = 1.00: * H ILE 7 + HA ILE 7 OK 100 100 100 100 2.8-2.9 3.0=100 H VAL 32 + HA ILE 7 OK 82 90 100 92 4.8-5.8 10517/3.6=31, 249/3.0=27...(17) H THR 31 - HA ILE 7 far 0 61 0 - 7.1-7.6 H ALA 67 - HA ILE 7 far 0 90 0 - 9.1-10.2 H LEU 29 - HA ILE 7 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 234 from cnoeabs.peaks (5.13, 5.13, 58.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + HA ILE 7 OK 100 100 - 100 Peak 235 from cnoeabs.peaks (1.52, 5.13, 58.46 ppm; 3.73 A): 2 out of 9 assignments used, quality = 1.00: * HB ILE 7 + HA ILE 7 OK 100 100 100 100 2.7-2.8 3.0=100 HG LEU 57 + HA ILE 7 OK 80 91 90 98 4.8-5.5 3.0/8272=52, 3.0/9345=39...(28) HG LEU 6 - HA ILE 7 far 0 100 0 - 5.5-7.0 HG12 ILE 56 - HA ILE 7 far 0 99 0 - 6.3-7.6 HB3 LEU 64 - HA ILE 7 far 0 73 0 - 7.9-9.1 HB2 LEU 14 - HA ILE 7 far 0 100 0 - 8.3-8.9 HG3 ARG 30 - HA ILE 7 far 0 99 0 - 8.6-9.5 HG3 LYS 33 - HA ILE 7 far 0 94 0 - 9.3-10.8 HG2 ARG 79 - HA ILE 7 far 0 98 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 236 from cnoeabs.peaks (0.80, 5.13, 58.46 ppm; 3.52 A): 3 out of 15 assignments used, quality = 1.00: * QG2 ILE 7 + HA ILE 7 OK 100 100 100 100 3.0-3.1 3.0=100 QD2 LEU 57 + HA ILE 7 OK 96 100 100 96 2.8-4.4 3.1/8272=45, 3.1/9345=33...(25) QG2 VAL 32 + HA ILE 7 OK 52 71 95 76 4.1-5.0 ~8270=21, 6080/3.0=16...(16) QD1 LEU 6 - HA ILE 7 far 12 81 15 - 4.8-5.8 QD1 LEU 57 - HA ILE 7 far 12 79 15 - 4.8-5.3 QG2 ILE 8 - HA ILE 7 far 0 98 0 - 5.4-5.4 QG2 ILE 15 - HA ILE 7 far 0 99 0 - 5.5-6.2 QD1 ILE 93 - HA ILE 7 far 0 79 0 - 5.8-6.4 QD2 LEU 38 - HA ILE 7 far 0 87 0 - 5.9-8.1 QD1 ILE 15 - HA ILE 7 far 0 59 0 - 6.0-6.6 QG1 VAL 54 - HA ILE 7 far 0 63 0 - 7.2-7.8 QD2 LEU 42 - HA ILE 7 far 0 73 0 - 7.9-8.8 QD2 LEU 103 - HA ILE 7 far 0 81 0 - 8.8-19.1 QD1 LEU 27 - HA ILE 7 far 0 77 0 - 9.2-10.0 QD1 LEU 70 - HA ILE 7 far 0 95 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 237 from cnoeabs.peaks (1.42, 5.13, 58.46 ppm; 3.90 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 7 + HA ILE 7 OK 100 100 100 100 2.0-3.4 3.9=96, 6090/6087=60...(27) HG LEU 29 - HA ILE 7 far 0 99 0 - 5.6-7.0 HG LEU 38 - HA ILE 7 far 0 68 0 - 7.3-11.0 QB ALA 22 - HA ILE 7 far 0 99 0 - 7.5-8.3 HB2 LEU 38 - HA ILE 7 far 0 75 0 - 8.5-11.0 QB ALA 71 - HA ILE 7 far 0 97 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 238 from cnoeabs.peaks (0.89, 5.13, 58.46 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 7 + HA ILE 7 OK 100 100 100 100 2.0-3.4 3.9=100 HG13 ILE 8 + HA ILE 7 OK 93 100 95 98 3.7-5.8 2.9/8273=53, 4.6/6087=51...(15) QD1 LEU 38 - HA ILE 7 far 0 71 0 - 5.6-9.6 QG1 VAL 32 - HA ILE 7 far 0 97 0 - 6.6-7.4 QD1 LEU 103 - HA ILE 7 far 0 79 0 - 8.4-18.8 QD2 LEU 64 - HA ILE 7 far 0 75 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 239 from cnoeabs.peaks (0.62, 5.13, 58.46 ppm; 3.88 A): 4 out of 5 assignments used, quality = 1.00: * QD1 ILE 7 + HA ILE 7 OK 100 100 100 100 2.7-3.0 4.2=81, 2.1/237=69...(27) QG2 ILE 56 + HA ILE 7 OK 84 91 100 92 3.2-4.1 4.1/9332=47...(19) QD2 LEU 29 + HA ILE 7 OK 72 90 85 95 3.8-5.7 10501/3.0=27...(28) QD1 LEU 29 + HA ILE 7 OK 56 71 85 92 3.4-5.6 255/3.0=19, 247/3.0=17...(27) QG2 VAL 54 - HA ILE 7 far 0 70 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 240 from cnoeabs.peaks (8.80, 5.13, 58.46 ppm; 3.13 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + HA ILE 7 OK 100 100 100 100 2.2-2.2 6087=100, 256/3.0=36...(23) H SER 59 - HA ILE 7 far 0 100 0 - 6.4-7.0 H ARG 81 - HA ILE 7 far 0 59 0 - 6.5-7.2 H ALA 22 - HA ILE 7 far 0 94 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 241 from cnoeabs.peaks (8.46, 1.52, 41.02 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 7 + HB ILE 7 OK 100 100 100 100 2.5-3.1 4.0=86, 257/2.9=47...(24) H VAL 32 + HB ILE 7 OK 51 90 60 95 4.8-6.2 4.0/8732=45, 249/2.1=27...(16) H THR 31 - HB ILE 7 far 0 61 0 - 5.5-6.4 H LEU 29 - HB ILE 7 far 0 100 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 242 from cnoeabs.peaks (5.13, 1.52, 41.02 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 7 + HB ILE 7 OK 100 100 100 100 2.7-2.8 3.0=100 HA SER 85 + HB2 LEU 14 OK 82 90 100 91 3.7-4.4 8424/3.1=27...(18) HA VAL 5 - HB ILE 7 far 0 85 0 - 6.8-7.2 HA ILE 7 - HB2 LEU 14 far 0 91 0 - 8.3-8.9 HA TYR 4 - HB ILE 7 far 0 98 0 - 9.9-10.4 HA VAL 54 - HB ILE 7 far 0 81 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 243 from cnoeabs.peaks (1.52, 1.52, 41.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB ILE 7 + HB ILE 7 OK 100 100 - 100 HB2 LEU 14 + HB2 LEU 14 OK 91 91 - 100 Peak 244 from cnoeabs.peaks (0.80, 1.52, 41.02 ppm; 3.14 A): 3 out of 21 assignments used, quality = 1.00: * QG2 ILE 7 + HB ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 15 + HB ILE 7 OK 95 99 100 96 3.4-4.2 10123/8732=42...(38) QD2 LEU 57 + HB ILE 7 OK 29 100 30 96 3.5-5.5 3.1/8277=28, 236/3.0=17...(34) QD1 ILE 93 - HB ILE 7 far 4 79 5 - 4.5-5.7 QD1 ILE 15 - HB2 LEU 14 far 0 49 0 - 4.8-5.6 QG2 VAL 32 - HB ILE 7 far 0 71 0 - 4.8-5.7 QD1 LEU 6 - HB ILE 7 far 0 81 0 - 4.9-6.6 QD1 ILE 15 - HB ILE 7 far 0 59 0 - 5.3-5.9 QD1 LEU 57 - HB ILE 7 far 0 79 0 - 6.0-6.7 QG2 ILE 7 - HB2 LEU 14 far 0 91 0 - 6.2-6.7 QD1 LEU 57 - HB2 LEU 14 far 0 66 0 - 6.7-9.0 QD1 ILE 93 - HB2 LEU 14 far 0 66 0 - 6.7-8.2 QG2 ILE 8 - HB ILE 7 far 0 98 0 - 6.7-7.0 QG2 ILE 15 - HB2 LEU 14 far 0 88 0 - 6.8-6.8 QD2 LEU 38 - HB ILE 7 far 0 87 0 - 7.1-9.7 QG1 VAL 54 - HB ILE 7 far 0 63 0 - 7.6-8.4 QD2 LEU 57 - HB2 LEU 14 far 0 91 0 - 8.0-8.9 QD1 LEU 27 - HB ILE 7 far 0 77 0 - 8.3-9.3 QD2 LEU 42 - HB ILE 7 far 0 73 0 - 8.7-9.7 QG2 ILE 8 - HB2 LEU 14 far 0 87 0 - 9.5-10.2 QD2 LEU 103 - HB ILE 7 far 0 81 0 - 9.8-19.5 Violated in 0 structures by 0.00 A. Peak 245 from cnoeabs.peaks (1.42, 1.52, 41.02 ppm; 3.54 A): 3 out of 13 assignments used, quality = 1.00: * HG12 ILE 7 + HB ILE 7 OK 100 100 100 100 2.7-3.0 2.9=100 HG LEU 29 + HB ILE 7 OK 90 99 100 91 3.3-4.7 253/2.1=26, 277/3.2=25...(21) HG2 LYS 13 + HB2 LEU 14 OK 78 90 100 87 4.1-4.5 6191/3.8=30...(37) HG12 ILE 7 - HB2 LEU 14 far 0 91 0 - 5.7-6.9 QB ALA 22 - HB ILE 7 far 0 99 0 - 6.0-6.8 HG2 LYS 12 - HB2 LEU 14 far 0 78 0 - 7.9-9.8 HG3 ARG 91 - HB2 LEU 14 far 0 68 0 - 8.4-9.5 HG LEU 38 - HB ILE 7 far 0 68 0 - 8.5-12.3 HG2 LYS 20 - HB ILE 7 far 0 71 0 - 9.1-9.7 HG2 LYS 20 - HB2 LEU 14 far 0 59 0 - 9.3-10.7 HG LEU 29 - HB2 LEU 14 far 0 88 0 - 9.5-11.3 HB2 LEU 27 - HB ILE 7 far 0 71 0 - 9.6-10.4 HB2 LEU 38 - HB ILE 7 far 0 75 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 246 from cnoeabs.peaks (0.89, 1.52, 41.02 ppm; 3.90 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 7 + HB ILE 7 OK 100 100 100 100 2.7-2.9 2.9=100 HG13 ILE 7 - HB2 LEU 14 far 0 91 0 - 5.5-6.9 HG13 ILE 8 - HB ILE 7 far 0 100 0 - 5.8-7.6 QD1 LEU 38 - HB ILE 7 far 0 71 0 - 7.2-11.0 QG1 VAL 32 - HB ILE 7 far 0 97 0 - 7.4-8.3 QD1 LEU 103 - HB ILE 7 far 0 79 0 - 9.5-19.3 Violated in 0 structures by 0.00 A. Peak 247 from cnoeabs.peaks (0.62, 1.52, 41.02 ppm; 3.43 A): 3 out of 7 assignments used, quality = 1.00: * QD1 ILE 7 + HB ILE 7 OK 100 100 100 100 2.0-2.2 3.2=100 QD2 LEU 29 + HB ILE 7 OK 86 90 100 96 2.3-3.5 10501/2.1=28, 2.1/245=21...(36) QD1 LEU 29 + HB ILE 7 OK 67 71 100 94 1.9-3.4 2.1/245=21, 255/2.1=20...(35) QD1 ILE 7 - HB2 LEU 14 far 9 91 10 - 4.8-5.5 QG2 ILE 56 - HB ILE 7 far 0 91 0 - 5.2-6.2 QD2 LEU 29 - HB2 LEU 14 far 0 77 0 - 7.0-8.8 QD1 LEU 29 - HB2 LEU 14 far 0 59 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 248 from cnoeabs.peaks (8.80, 1.52, 41.02 ppm; 4.57 A): 1 out of 6 assignments used, quality = 1.00: * H ILE 8 + HB ILE 7 OK 100 100 100 100 4.3-4.4 4.5=100 H ALA 22 - HB ILE 7 far 0 94 0 - 7.7-8.5 H ILE 8 - HB2 LEU 14 far 0 91 0 - 7.9-8.8 H SER 59 - HB2 LEU 14 far 0 91 0 - 8.4-10.0 H SER 59 - HB ILE 7 far 0 100 0 - 8.6-9.2 H ARG 81 - HB ILE 7 far 0 59 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 249 from cnoeabs.peaks (8.46, 0.80, 16.81 ppm; 3.40 A): 3 out of 5 assignments used, quality = 1.00: * H ILE 7 + QG2 ILE 7 OK 99 100 100 99 2.5-3.1 4.0=60, 6079/2.1=39...(24) H VAL 32 + QG2 ILE 7 OK 83 90 100 93 2.7-3.7 4.0/8282=41...(19) H THR 31 + QG2 ILE 7 OK 53 61 100 86 4.2-4.9 4.0/8282=41, 3.0/8255=31...(12) H LEU 29 - QG2 ILE 7 far 0 100 0 - 7.5-8.3 H ALA 67 - QG2 ILE 7 far 0 90 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 250 from cnoeabs.peaks (5.13, 0.80, 16.81 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 7 + QG2 ILE 7 OK 100 100 100 100 3.0-3.1 3.0=100 HA VAL 5 - QG2 ILE 7 far 0 85 0 - 7.4-7.9 HA SER 85 - QG2 ILE 7 far 0 100 0 - 8.8-9.4 HA TYR 4 - QG2 ILE 7 far 0 98 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 251 from cnoeabs.peaks (1.52, 0.80, 16.81 ppm; 3.16 A): 1 out of 10 assignments used, quality = 1.00: * HB ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 6 - QG2 ILE 7 far 0 100 0 - 5.1-7.2 HG LEU 57 - QG2 ILE 7 far 0 91 0 - 6.1-6.6 HB2 LEU 14 - QG2 ILE 7 far 0 100 0 - 6.2-6.7 HG3 LYS 33 - QG2 ILE 7 far 0 94 0 - 6.4-7.7 HG3 ARG 30 - QG2 ILE 7 far 0 99 0 - 6.6-7.4 HG2 LYS 33 - QG2 ILE 7 far 0 84 0 - 7.5-8.7 HG12 ILE 56 - QG2 ILE 7 far 0 99 0 - 7.6-9.1 HG3 LYS 13 - QG2 ILE 7 far 0 85 0 - 8.2-9.2 HB3 LEU 64 - QG2 ILE 7 far 0 73 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 252 from cnoeabs.peaks (0.80, 0.80, 16.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 7 + QG2 ILE 7 OK 100 100 - 100 Peak 253 from cnoeabs.peaks (1.42, 0.80, 16.81 ppm; 3.51 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.1-2.9 3.2=100 HG LEU 29 + QG2 ILE 7 OK 64 99 70 93 4.0-5.3 2.1/10501=33, 277/3.0=26...(24) QB ALA 22 - QG2 ILE 7 far 0 99 0 - 6.5-7.2 HG2 LYS 12 - QG2 ILE 7 far 0 91 0 - 6.7-8.6 HG LEU 38 - QG2 ILE 7 far 0 68 0 - 7.1-10.0 HG2 LYS 13 - QG2 ILE 7 far 0 100 0 - 7.4-7.7 HG2 LYS 20 - QG2 ILE 7 far 0 71 0 - 8.0-8.9 HB2 LEU 38 - QG2 ILE 7 far 0 75 0 - 8.4-10.0 HB2 LEU 27 - QG2 ILE 7 far 0 71 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 254 from cnoeabs.peaks (0.89, 0.80, 16.81 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: * HG13 ILE 7 + QG2 ILE 7 OK 100 100 100 100 2.1-2.9 3.2=100 HG13 ILE 8 + QG2 ILE 7 OK 57 100 65 87 4.3-5.6 4.6/256=26, 316=24...(14) QG1 VAL 32 - QG2 ILE 7 far 0 97 0 - 5.5-6.2 QD1 LEU 38 - QG2 ILE 7 far 0 71 0 - 5.7-9.2 QD1 LEU 103 - QG2 ILE 7 far 0 79 0 - 9.3-17.7 QD2 LEU 64 - QG2 ILE 7 far 0 75 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 255 from cnoeabs.peaks (0.62, 0.80, 16.81 ppm; 2.89 A): 3 out of 5 assignments used, quality = 1.00: * QD1 ILE 7 + QG2 ILE 7 OK 99 100 100 99 2.9-3.1 3.0=91, 8331/8265=18...(27) QD2 LEU 29 + QG2 ILE 7 OK 83 90 100 92 3.1-3.9 10501=32, 2.1/253=18...(36) QD1 LEU 29 + QG2 ILE 7 OK 62 71 100 87 3.0-4.2 2.1/10501=24, 2.1/253=18...(33) QG2 ILE 56 - QG2 ILE 7 far 0 91 0 - 4.9-5.7 QG2 VAL 54 - QG2 ILE 7 far 0 70 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 256 from cnoeabs.peaks (8.80, 0.80, 16.81 ppm; 3.93 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + QG2 ILE 7 OK 100 100 100 100 3.0-3.3 6087/3.0=77, 4.4=73...(23) H SER 59 - QG2 ILE 7 far 0 100 0 - 6.2-6.9 H ALA 22 - QG2 ILE 7 far 0 94 0 - 7.8-8.6 H ARG 81 - QG2 ILE 7 far 0 59 0 - 8.3-9.0 Violated in 0 structures by 0.00 A. Peak 257 from cnoeabs.peaks (8.46, 1.42, 27.84 ppm; 4.40 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 7 + HG12 ILE 7 OK 100 100 100 100 4.4-5.0 4.5=96, 3.0/237=72...(14) H VAL 32 - HG12 ILE 7 far 0 90 0 - 5.9-6.8 H THR 31 - HG12 ILE 7 far 0 61 0 - 8.1-8.6 H LEU 29 - HG12 ILE 7 far 0 100 0 - 9.4-10.9 Violated in 20 structures by 0.17 A. Peak 258 from cnoeabs.peaks (5.13, 1.42, 27.84 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.0-3.4 3.9=100 HA VAL 5 - HG12 ILE 7 far 0 85 0 - 8.0-9.2 HA SER 85 - HG12 ILE 7 far 0 100 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 259 from cnoeabs.peaks (1.52, 1.42, 27.84 ppm; 4.42 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.7-3.0 2.9=100 HG LEU 57 + HG12 ILE 7 OK 86 91 95 100 4.2-6.0 3.0/8284=64, ~8285=41...(31) HB2 LEU 14 - HG12 ILE 7 far 10 100 10 - 5.7-6.9 HG LEU 6 - HG12 ILE 7 far 0 100 0 - 7.3-9.9 HG12 ILE 56 - HG12 ILE 7 far 0 99 0 - 8.1-11.0 HB3 LEU 64 - HG12 ILE 7 far 0 73 0 - 8.6-10.6 HG3 LYS 13 - HG12 ILE 7 far 0 85 0 - 9.4-11.3 HG3 ARG 30 - HG12 ILE 7 far 0 99 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 260 from cnoeabs.peaks (0.80, 1.42, 27.84 ppm; 3.53 A): 5 out of 14 assignments used, quality = 1.00: * QG2 ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.1-2.9 3.2=100 QD2 LEU 57 + HG12 ILE 7 OK 98 100 100 98 3.5-4.8 3.1/8284=39, ~8285=24...(26) QD1 LEU 57 + HG12 ILE 7 OK 58 79 75 97 4.5-6.5 3.1/8284=39, ~8285=24...(28) QG2 ILE 15 + HG12 ILE 7 OK 29 99 30 98 3.8-5.6 ~8469=27, 244/2.9=26...(32) QD1 ILE 15 + HG12 ILE 7 OK 26 59 45 98 4.2-5.5 ~10118=32, 8469/2.1=29...(30) QD1 ILE 93 - HG12 ILE 7 far 0 79 0 - 5.1-5.9 QG2 VAL 32 - HG12 ILE 7 far 0 71 0 - 5.6-6.8 QG2 ILE 8 - HG12 ILE 7 far 0 98 0 - 6.0-6.7 QD1 LEU 6 - HG12 ILE 7 far 0 81 0 - 6.4-7.5 QD2 LEU 38 - HG12 ILE 7 far 0 87 0 - 7.5-9.6 QG1 VAL 54 - HG12 ILE 7 far 0 63 0 - 8.8-10.4 QD2 LEU 103 - HG12 ILE 7 far 0 81 0 - 9.0-19.6 QD2 LEU 42 - HG12 ILE 7 far 0 73 0 - 9.5-11.0 QD1 LEU 27 - HG12 ILE 7 far 0 77 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 261 from cnoeabs.peaks (1.42, 1.42, 27.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + HG12 ILE 7 OK 100 100 - 100 Peak 262 from cnoeabs.peaks (0.89, 1.42, 27.84 ppm; 2.94 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 7 + HG12 ILE 7 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 8 - HG12 ILE 7 far 0 100 0 - 5.3-7.7 QD1 LEU 38 - HG12 ILE 7 far 0 71 0 - 7.2-11.2 QG1 VAL 32 - HG12 ILE 7 far 0 97 0 - 7.9-9.3 QD1 LEU 103 - HG12 ILE 7 far 0 79 0 - 8.5-19.1 QD2 LEU 64 - HG12 ILE 7 far 0 75 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 263 from cnoeabs.peaks (0.62, 1.42, 27.84 ppm; 3.27 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 7 + HG12 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 29 + HG12 ILE 7 OK 56 90 70 89 3.5-5.8 271/1.8=20, 10501/3.2=19...(30) QD1 LEU 29 + HG12 ILE 7 OK 40 71 65 87 3.9-5.7 ~277=15, 271/1.8=15...(29) QG2 ILE 56 - HG12 ILE 7 far 0 91 0 - 4.8-6.9 Violated in 0 structures by 0.00 A. Peak 264 from cnoeabs.peaks (8.80, 1.42, 27.84 ppm; 4.37 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + HG12 ILE 7 OK 100 100 100 100 2.5-3.9 6090=100, 6087/237=72...(18) H SER 59 - HG12 ILE 7 far 0 100 0 - 6.2-7.6 H ARG 81 - HG12 ILE 7 far 0 59 0 - 7.1-9.6 H ALA 22 - HG12 ILE 7 far 0 94 0 - 9.1-10.0 Violated in 0 structures by 0.00 A. Peak 265 from cnoeabs.peaks (8.46, 0.89, 27.84 ppm; 4.81 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 7 + HG13 ILE 7 OK 100 100 100 100 4.4-5.2 4.5=100 H VAL 32 + HG13 ILE 7 OK 39 90 45 96 6.0-6.7 4.0/8280=50...(11) H THR 31 - HG13 ILE 7 far 0 61 0 - 7.7-8.4 H LEU 29 - HG13 ILE 7 far 0 100 0 - 9.6-10.8 Violated in 17 structures by 0.09 A. Peak 266 from cnoeabs.peaks (5.13, 0.89, 27.84 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.0-3.4 3.9=100 HA VAL 5 - HG13 ILE 7 far 0 85 0 - 8.2-9.4 HA SER 85 - HG13 ILE 7 far 0 100 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 267 from cnoeabs.peaks (1.52, 0.89, 27.84 ppm; 3.95 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.7-2.9 2.9=100 HG LEU 57 + HG13 ILE 7 OK 27 91 30 99 4.5-5.8 3.0/8285=46, ~8284=35...(29) HB2 LEU 14 - HG13 ILE 7 far 0 100 0 - 5.5-6.9 HG LEU 6 - HG13 ILE 7 far 0 100 0 - 7.9-9.8 HG3 LYS 13 - HG13 ILE 7 far 0 85 0 - 8.3-11.2 HB3 LEU 64 - HG13 ILE 7 far 0 73 0 - 8.8-11.0 HG12 ILE 56 - HG13 ILE 7 far 0 99 0 - 9.1-10.8 HG3 ARG 30 - HG13 ILE 7 far 0 99 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 268 from cnoeabs.peaks (0.80, 0.89, 27.84 ppm; 3.94 A): 4 out of 13 assignments used, quality = 1.00: * QG2 ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.1-2.9 3.2=100 QG2 ILE 15 + HG13 ILE 7 OK 93 99 95 100 3.5-5.5 3.2/10118=47...(40) QD1 ILE 15 + HG13 ILE 7 OK 56 59 95 100 3.8-5.5 2.1/10118=57...(33) QD2 LEU 57 + HG13 ILE 7 OK 40 100 40 99 3.6-6.0 3.1/8285=44, ~8284=33...(28) QD1 ILE 93 - HG13 ILE 7 far 12 79 15 - 5.2-6.0 QD1 LEU 57 - HG13 ILE 7 far 8 79 10 - 4.9-6.4 QG2 ILE 8 - HG13 ILE 7 far 0 98 0 - 5.6-6.8 QG2 VAL 32 - HG13 ILE 7 far 0 71 0 - 6.1-7.0 QD1 LEU 6 - HG13 ILE 7 far 0 81 0 - 6.6-8.4 QD2 LEU 38 - HG13 ILE 7 far 0 87 0 - 7.5-10.6 QG1 VAL 54 - HG13 ILE 7 far 0 63 0 - 8.6-10.3 QD1 LEU 27 - HG13 ILE 7 far 0 77 0 - 9.6-11.0 QD2 LEU 42 - HG13 ILE 7 far 0 73 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 269 from cnoeabs.peaks (1.42, 0.89, 27.84 ppm; 2.99 A): 1 out of 6 assignments used, quality = 1.00: * HG12 ILE 7 + HG13 ILE 7 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 29 - HG13 ILE 7 far 0 99 0 - 5.7-6.6 QB ALA 22 - HG13 ILE 7 far 0 99 0 - 7.4-8.6 HG2 LYS 13 - HG13 ILE 7 far 0 100 0 - 7.9-9.6 HG2 LYS 12 - HG13 ILE 7 far 0 91 0 - 8.6-10.8 HG2 LYS 20 - HG13 ILE 7 far 0 71 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 270 from cnoeabs.peaks (0.89, 0.89, 27.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + HG13 ILE 7 OK 100 100 - 100 Peak 271 from cnoeabs.peaks (0.62, 0.89, 27.84 ppm; 3.43 A): 3 out of 4 assignments used, quality = 1.00: * QD1 ILE 7 + HG13 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 29 + HG13 ILE 7 OK 67 90 80 93 3.8-5.2 263/1.8=22, 10501/3.2=21...(32) QD1 LEU 29 + HG13 ILE 7 OK 48 71 75 89 3.8-5.7 ~277=17, 263/1.8=16...(29) QG2 ILE 56 - HG13 ILE 7 far 0 91 0 - 5.2-6.7 Violated in 0 structures by 0.00 A. Peak 272 from cnoeabs.peaks (8.80, 0.89, 27.84 ppm; 4.80 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 8 + HG13 ILE 7 OK 100 100 100 100 2.3-4.1 6090/1.8=96, 6087/3.9=82...(18) H SER 59 - HG13 ILE 7 far 5 100 5 - 6.0-7.8 H ARG 81 - HG13 ILE 7 far 0 59 0 - 7.7-9.9 H ALA 22 - HG13 ILE 7 far 0 94 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 273 from cnoeabs.peaks (8.46, 0.62, 13.69 ppm; 5.09 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 7 + QD1 ILE 7 OK 100 100 100 100 4.0-4.4 4.7=100 H VAL 32 + QD1 ILE 7 OK 75 90 90 93 6.1-7.0 4.0/8279=41, 249/3.0=33...(12) H LEU 29 - QD1 ILE 7 far 10 100 10 - 6.5-7.8 H THR 31 - QD1 ILE 7 far 0 61 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 274 from cnoeabs.peaks (5.13, 0.62, 13.69 ppm; 4.50 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.7-3.0 4.2=100 HA VAL 5 - QD1 ILE 7 poor 17 85 30 66 5.8-6.3 3.6/8232=23...(12) HA SER 85 - QD1 ILE 7 far 0 100 0 - 7.2-8.1 HA TYR 4 - QD1 ILE 7 far 0 98 0 - 8.6-9.3 HA VAL 54 - QD1 ILE 7 far 0 81 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 275 from cnoeabs.peaks (1.52, 0.62, 13.69 ppm; 3.60 A): 3 out of 13 assignments used, quality = 1.00: * HB ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.0-2.2 3.2=100 HG LEU 57 + QD1 ILE 7 OK 90 91 100 99 2.6-3.2 3.0/8287=40, 3.0/8278=28...(37) HB2 LEU 14 + QD1 ILE 7 OK 22 100 25 89 4.8-5.5 3.0/11079=33...(23) HG LEU 6 - QD1 ILE 7 far 0 100 0 - 6.5-8.1 HG12 ILE 56 - QD1 ILE 7 far 0 99 0 - 7.1-8.3 HG3 ARG 30 - QD1 ILE 7 far 0 99 0 - 7.3-8.7 HB2 ARG 91 - QD1 ILE 7 far 0 65 0 - 7.7-9.0 HG3 LYS 13 - QD1 ILE 7 far 0 85 0 - 8.0-9.3 HB3 LEU 64 - QD1 ILE 7 far 0 73 0 - 8.4-9.5 HG2 ARG 79 - QD1 ILE 7 far 0 98 0 - 9.0-11.5 HB3 LEU 103 - QD1 ILE 7 far 0 100 0 - 9.0-15.8 HG3 ARG 79 - QD1 ILE 7 far 0 98 0 - 9.7-11.3 HG3 LYS 33 - QD1 ILE 7 far 0 94 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 276 from cnoeabs.peaks (0.80, 0.62, 13.69 ppm; 2.94 A): 5 out of 14 assignments used, quality = 1.00: * QG2 ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.9-3.1 3.0=96, 8265/8331=19...(26) QD2 LEU 57 + QD1 ILE 7 OK 93 100 100 93 2.2-3.8 3.1/8287=24, 2.1/275=19...(32) QG2 ILE 15 + QD1 ILE 7 OK 90 99 95 96 3.6-4.5 3.0/8469=33, 3.2/8261=31...(40) QD1 LEU 57 + QD1 ILE 7 OK 72 79 100 92 3.5-4.2 3.1/8287=24, 2.1/275=19...(32) QD1 ILE 93 + QD1 ILE 7 OK 42 79 100 53 2.7-3.4 10020/8278=16, ~10999=11...(14) QD1 ILE 15 - QD1 ILE 7 far 0 59 0 - 4.6-5.2 QD1 LEU 6 - QD1 ILE 7 far 0 81 0 - 5.6-6.6 QG2 VAL 32 - QD1 ILE 7 far 0 71 0 - 5.6-6.3 QG2 ILE 8 - QD1 ILE 7 far 0 98 0 - 6.4-6.7 QD1 LEU 27 - QD1 ILE 7 far 0 77 0 - 6.6-7.5 QG1 VAL 54 - QD1 ILE 7 far 0 63 0 - 6.8-7.8 QD2 LEU 103 - QD1 ILE 7 far 0 81 0 - 7.2-15.4 QD2 LEU 38 - QD1 ILE 7 far 0 87 0 - 7.2-9.2 QD2 LEU 42 - QD1 ILE 7 far 0 73 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 277 from cnoeabs.peaks (1.42, 0.62, 13.69 ppm; 3.39 A): 2 out of 10 assignments used, quality = 1.00: * HG12 ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 29 + QD1 ILE 7 OK 86 99 100 88 3.3-4.3 1292=20, 253/3.0=20...(24) QB ALA 22 - QD1 ILE 7 far 15 99 15 - 4.7-5.9 HG2 LYS 20 - QD1 ILE 7 far 0 71 0 - 6.9-7.8 HG2 LYS 13 - QD1 ILE 7 far 0 100 0 - 7.4-8.0 HG3 ARG 91 - QD1 ILE 7 far 0 81 0 - 7.8-8.7 HB2 LEU 27 - QD1 ILE 7 far 0 71 0 - 8.0-8.7 HG LEU 38 - QD1 ILE 7 far 0 68 0 - 8.7-11.9 HG2 LYS 12 - QD1 ILE 7 far 0 91 0 - 8.7-10.2 HB2 LEU 38 - QD1 ILE 7 far 0 75 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 278 from cnoeabs.peaks (0.89, 0.62, 13.69 ppm; 3.38 A): 1 out of 6 assignments used, quality = 1.00: * HG13 ILE 7 + QD1 ILE 7 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 8 - QD1 ILE 7 far 0 100 0 - 6.0-7.6 QD1 LEU 103 - QD1 ILE 7 far 0 79 0 - 6.7-15.1 QD1 LEU 38 - QD1 ILE 7 far 0 71 0 - 7.2-10.4 QG1 VAL 32 - QD1 ILE 7 far 0 97 0 - 7.7-8.4 QD2 LEU 64 - QD1 ILE 7 far 0 75 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 279 from cnoeabs.peaks (0.62, 0.62, 13.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + QD1 ILE 7 OK 100 100 - 100 Peak 280 from cnoeabs.peaks (8.80, 0.62, 13.69 ppm; 5.01 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 8 + QD1 ILE 7 OK 100 100 100 100 4.0-4.3 6090/2.1=95, 256/3.0=85...(17) H ALA 22 + QD1 ILE 7 OK 57 94 95 64 5.8-6.7 8569/8278=35...(7) H SER 59 - QD1 ILE 7 far 0 100 0 - 6.8-7.6 H ARG 81 - QD1 ILE 7 far 0 59 0 - 6.9-7.4 Violated in 0 structures by 0.00 A. Peak 281 from cnoeabs.peaks (8.80, 4.61, 60.23 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 8 + HA ILE 8 OK 100 100 100 100 2.9-2.9 3.0=100 H SER 59 + HA ILE 8 OK 100 100 100 100 5.3-6.1 9400/3.0=98, 9396/3.2=97...(9) H ARG 81 - HA ILE 8 far 0 59 0 - 8.9-9.9 Violated in 0 structures by 0.00 A. Peak 282 from cnoeabs.peaks (4.61, 4.61, 60.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 8 + HA ILE 8 OK 100 100 - 100 Peak 283 from cnoeabs.peaks (1.90, 4.61, 60.23 ppm; 4.29 A): 1 out of 6 assignments used, quality = 1.00: * HB ILE 8 + HA ILE 8 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 LYS 33 - HA ILE 8 far 0 90 0 - 6.1-7.4 HB3 LYS 33 - HA ILE 8 far 0 92 0 - 6.9-8.1 HB3 LYS 66 - HA ILE 8 far 0 70 0 - 7.9-9.4 HB3 LEU 14 - HA ILE 8 far 0 100 0 - 8.3-9.2 HB2 ARG 19 - HA ILE 8 far 0 100 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 284 from cnoeabs.peaks (0.79, 4.61, 60.23 ppm; 3.66 A): 3 out of 13 assignments used, quality = 1.00: * QG2 ILE 8 + HA ILE 8 OK 100 100 100 100 2.1-2.4 3.2=100 QG2 ILE 7 + HA ILE 8 OK 97 98 100 99 3.1-3.3 256/3.0=50, ~6088=27...(27) QD1 ILE 15 + HA ILE 8 OK 31 82 80 47 4.7-5.3 8436/6102=28...(7) QD2 LEU 38 - HA ILE 8 poor 16 65 25 - 4.6-6.8 HG13 ILE 15 - HA ILE 8 poor 15 73 65 32 4.4-5.5 6104/6102=12...(5) QD1 LEU 6 - HA ILE 8 far 0 96 0 - 5.2-7.4 QG2 ILE 15 - HA ILE 8 far 0 88 0 - 5.3-6.5 QD2 LEU 57 - HA ILE 8 far 0 99 0 - 6.7-7.9 QD2 LEU 42 - HA ILE 8 far 0 92 0 - 8.4-10.1 QD1 LEU 70 - HA ILE 8 far 0 79 0 - 8.4-11.5 QD1 ILE 93 - HA ILE 8 far 0 95 0 - 9.2-9.8 QG1 VAL 54 - HA ILE 8 far 0 85 0 - 9.4-10.1 QD2 LEU 70 - HA ILE 8 far 0 91 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 285 from cnoeabs.peaks (1.36, 4.61, 60.23 ppm; 4.23 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 8 + HA ILE 8 OK 100 100 100 100 2.3-3.4 4.1=100 QB ALA 67 - HA ILE 8 far 0 84 0 - 5.8-7.3 QB ALA 89 - HA ILE 8 far 0 87 0 - 7.5-8.2 HB3 ARG 30 - HA ILE 8 far 0 99 0 - 7.9-8.9 HG LEU 14 - HA ILE 8 far 0 98 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 286 from cnoeabs.peaks (0.89, 4.61, 60.23 ppm; 4.48 A): 4 out of 5 assignments used, quality = 1.00: * HG13 ILE 8 + HA ILE 8 OK 100 100 100 100 2.6-3.6 4.1=100 HG13 ILE 7 + HA ILE 8 OK 99 100 100 100 4.7-5.6 272/3.0=58, ~6090=51...(18) QG1 VAL 32 + HA ILE 8 OK 91 92 100 99 4.4-5.6 2.1/10163=71...(12) QD1 LEU 38 + HA ILE 8 OK 21 82 55 47 4.5-9.0 294/3.0=15, 326/4.1=13...(6) QD2 LEU 64 - HA ILE 8 far 0 85 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 287 from cnoeabs.peaks (0.71, 4.61, 60.23 ppm; 4.21 A): 3 out of 11 assignments used, quality = 1.00: * QD1 ILE 8 + HA ILE 8 OK 100 100 100 100 3.5-3.9 4.1=100 QG1 VAL 58 + HA ILE 8 OK 98 99 100 100 4.2-4.7 10224/3.0=53, ~8301=33...(28) QD2 LEU 14 + HA ILE 8 OK 74 100 100 74 5.2-5.7 6107/6102=46...(10) QD1 ILE 56 - HA ILE 8 far 5 100 5 - 5.4-8.9 QG2 VAL 58 - HA ILE 8 far 0 70 0 - 6.1-6.7 QD2 LEU 6 - HA ILE 8 far 0 88 0 - 6.6-7.5 HG13 ILE 56 - HA ILE 8 far 0 100 0 - 6.8-9.5 QD1 LEU 14 - HA ILE 8 far 0 73 0 - 6.9-7.3 QG1 VAL 5 - HA ILE 8 far 0 95 0 - 7.7-8.5 QD1 LEU 64 - HA ILE 8 far 0 73 0 - 8.7-9.7 QD1 LEU 42 - HA ILE 8 far 0 91 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 288 from cnoeabs.peaks (7.81, 4.61, 60.23 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H SER 9 + HA ILE 8 OK 100 100 100 100 2.3-2.3 6102=100, 6103/3.0=41...(22) HE ARG 30 - HA ILE 8 far 0 90 0 - 9.1-12.4 H LYS 66 - HA ILE 8 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 289 from cnoeabs.peaks (8.80, 1.90, 37.66 ppm; 3.65 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 8 + HB ILE 8 OK 100 100 100 100 2.7-3.0 6094=100, 6096/2.9=57...(14) H SER 59 + HB ILE 8 OK 99 100 100 99 3.2-4.0 9400=59, 6958/9374=54...(15) H ARG 81 - HB ILE 8 far 0 59 0 - 6.6-7.8 Violated in 0 structures by 0.00 A. Peak 290 from cnoeabs.peaks (4.61, 1.90, 37.66 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 8 + HB ILE 8 OK 100 100 100 100 3.0-3.0 3.0=100 HA THR 84 - HB ILE 8 far 0 73 0 - 8.6-10.0 HB THR 34 - HB ILE 8 far 0 96 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 291 from cnoeabs.peaks (1.90, 1.90, 37.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 8 + HB ILE 8 OK 100 100 - 100 Peak 292 from cnoeabs.peaks (0.79, 1.90, 37.66 ppm; 3.25 A): 1 out of 13 assignments used, quality = 1.00: * QG2 ILE 8 + HB ILE 8 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 38 - HB ILE 8 poor 14 65 35 61 4.1-6.1 2.1/12068=10, 316/2.9=10...(18) QG2 ILE 7 - HB ILE 8 far 0 98 0 - 4.9-5.1 QD1 LEU 6 - HB ILE 8 far 0 96 0 - 6.0-8.3 QD2 LEU 57 - HB ILE 8 far 0 99 0 - 6.1-7.0 QD1 ILE 15 - HB ILE 8 far 0 82 0 - 6.6-7.1 HG13 ILE 15 - HB ILE 8 far 0 73 0 - 7.0-8.0 QD1 LEU 70 - HB ILE 8 far 0 79 0 - 7.5-10.4 QG2 ILE 15 - HB ILE 8 far 0 88 0 - 7.6-8.6 QD2 LEU 42 - HB ILE 8 far 0 92 0 - 8.2-9.7 QD2 LEU 70 - HB ILE 8 far 0 91 0 - 8.8-10.9 QG1 VAL 54 - HB ILE 8 far 0 85 0 - 9.1-9.9 QD1 ILE 93 - HB ILE 8 far 0 95 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 293 from cnoeabs.peaks (1.36, 1.90, 37.66 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 8 + HB ILE 8 OK 100 100 100 100 2.4-3.0 2.9=100 QB ALA 67 + HB ILE 8 OK 55 84 75 88 4.3-5.8 9528/10383=30...(21) HB2 LYS 82 - HB ILE 8 far 0 92 0 - 7.4-9.0 QB ALA 89 - HB ILE 8 far 0 87 0 - 7.5-8.2 HG LEU 14 - HB ILE 8 far 0 98 0 - 8.8-9.6 HB3 ARG 30 - HB ILE 8 far 0 99 0 - 9.3-10.4 HG3 LYS 68 - HB ILE 8 far 0 97 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 294 from cnoeabs.peaks (0.89, 1.90, 37.66 ppm; 3.96 A): 3 out of 5 assignments used, quality = 1.00: * HG13 ILE 8 + HB ILE 8 OK 100 100 100 100 2.3-3.0 2.9=100 QD1 LEU 38 + HB ILE 8 OK 33 82 50 79 4.2-8.3 2.1/12069=15, 12068=15...(18) QG1 VAL 32 + HB ILE 8 OK 27 92 30 99 5.2-6.2 ~12205=41, ~12204=36...(23) HG13 ILE 7 - HB ILE 8 far 10 100 10 - 5.0-6.8 QD2 LEU 64 - HB ILE 8 far 0 85 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 295 from cnoeabs.peaks (0.71, 1.90, 37.66 ppm; 3.29 A): 3 out of 12 assignments used, quality = 1.00: * QD1 ILE 8 + HB ILE 8 OK 100 100 100 100 2.2-2.6 3.2=100 QG1 VAL 58 + HB ILE 8 OK 98 99 100 100 1.9-2.5 10224=60, 3.2/9374=44...(35) QG2 VAL 58 + HB ILE 8 OK 69 70 100 99 3.8-4.3 3.2/9374=44...(36) QD1 ILE 56 - HB ILE 8 far 0 100 0 - 4.8-7.8 QD2 LEU 14 - HB ILE 8 far 0 100 0 - 5.7-6.4 HG13 ILE 56 - HB ILE 8 far 0 100 0 - 6.2-8.5 QD1 LEU 64 - HB ILE 8 far 0 73 0 - 6.3-7.3 QD1 LEU 14 - HB ILE 8 far 0 73 0 - 6.7-7.3 QD2 LEU 6 - HB ILE 8 far 0 88 0 - 7.0-8.3 QG1 VAL 5 - HB ILE 8 far 0 95 0 - 7.6-8.9 QD1 LEU 42 - HB ILE 8 far 0 91 0 - 8.3-10.2 QG2 VAL 78 - HB ILE 8 far 0 98 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 296 from cnoeabs.peaks (7.81, 1.90, 37.66 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HB ILE 8 OK 100 100 100 100 4.3-4.5 4.4=100 H LYS 66 - HB ILE 8 far 0 99 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 297 from cnoeabs.peaks (8.80, 0.79, 17.45 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 8 + QG2 ILE 8 OK 100 100 100 100 3.8-4.0 4.0=84, 6094/2.1=77...(16) H SER 59 + QG2 ILE 8 OK 99 100 100 99 2.9-4.4 9400/2.1=56, 9396=53...(19) H ILE 8 - QG2 ILE 15 far 0 70 0 - 5.8-6.6 H ARG 81 - QG2 ILE 8 far 0 59 0 - 7.3-8.2 H ALA 22 - QG2 ILE 15 far 0 61 0 - 7.4-8.4 H SER 59 - QG2 ILE 15 far 0 70 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 298 from cnoeabs.peaks (4.61, 0.79, 17.45 ppm; 3.47 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 8 + QG2 ILE 8 OK 100 100 100 100 2.1-2.4 3.2=100 HA ILE 8 - QG2 ILE 15 far 0 70 0 - 5.3-6.5 HB THR 34 - QG2 ILE 8 far 0 96 0 - 6.2-7.4 HA ASP 11 - QG2 ILE 15 far 0 64 0 - 6.7-7.4 HA THR 84 - QG2 ILE 8 far 0 73 0 - 8.3-9.3 HA ASP 11 - QG2 ILE 8 far 0 96 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 299 from cnoeabs.peaks (1.90, 0.79, 17.45 ppm; 3.18 A): 2 out of 25 assignments used, quality = 1.00: * HB ILE 8 + QG2 ILE 8 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 ARG 19 + QG2 ILE 15 OK 58 70 95 87 3.3-5.0 1.8/8516=23, 3.0/8519=20...(17) HB2 LYS 12 - QG2 ILE 15 poor 18 46 40 - 4.4-4.9 HB3 ARG 19 - QG2 ILE 15 poor 10 42 25 - 3.6-5.3 HB3 LYS 66 - QG2 ILE 8 far 7 70 10 - 4.3-5.6 HB VAL 54 - QG2 ILE 52 far 3 66 5 - 4.3-7.9 HB2 LYS 33 - QG2 ILE 8 far 0 90 0 - 4.7-6.0 HB3 LYS 33 - QG2 ILE 8 far 0 92 0 - 5.2-6.4 HB3 LYS 12 - QG2 ILE 15 far 0 48 0 - 5.6-6.1 HB3 LEU 14 - QG2 ILE 15 far 0 69 0 - 5.8-6.0 HB3 LYS 47 - QG2 ILE 52 far 0 47 0 - 5.8-7.7 HB2 LYS 20 - QG2 ILE 15 far 0 69 0 - 7.4-8.6 HB2 LYS 13 - QG2 ILE 15 far 0 58 0 - 7.5-7.9 HB3 LYS 13 - QG2 ILE 15 far 0 60 0 - 7.5-7.9 HB ILE 8 - QG2 ILE 15 far 0 70 0 - 7.6-8.6 HB VAL 5 - QG2 ILE 15 far 0 42 0 - 7.6-8.3 HG LEU 42 - QG2 ILE 52 far 0 68 0 - 7.7-10.4 HB2 GLU 43 - QG2 ILE 52 far 0 65 0 - 7.9-10.3 HB2 LYS 33 - QG2 ILE 15 far 0 57 0 - 8.0-9.2 HB3 LYS 68 - QG2 ILE 8 far 0 87 0 - 8.2-9.2 HG LEU 42 - QG2 ILE 8 far 0 100 0 - 8.3-10.0 HB3 LYS 20 - QG2 ILE 15 far 0 35 0 - 8.4-9.1 HB3 LEU 14 - QG2 ILE 8 far 0 100 0 - 8.6-9.2 HB3 LYS 33 - QG2 ILE 15 far 0 59 0 - 9.1-10.0 HB3 LYS 39 - QG2 ILE 8 far 0 71 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 300 from cnoeabs.peaks (0.79, 0.79, 17.45 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 ILE 8 + QG2 ILE 8 OK 100 100 - 100 QG2 ILE 52 + QG2 ILE 52 OK 67 67 - 100 QG2 ILE 15 + QG2 ILE 15 OK 56 56 - 100 Peak 301 from cnoeabs.peaks (1.36, 0.79, 17.45 ppm; 3.62 A): 3 out of 18 assignments used, quality = 1.00: * HG12 ILE 8 + QG2 ILE 8 OK 100 100 100 100 2.6-3.2 3.1=100 QB ALA 67 + QG2 ILE 8 OK 63 84 95 80 3.9-5.2 293/2.1=22, 325/3.0=20...(22) HB3 LEU 2 + QG2 ILE 52 OK 29 46 65 100 4.0-5.7 1.8/12274=40, ~12275=27...(47) HG LEU 14 - QG2 ILE 15 far 3 66 5 - 4.9-5.9 QB ALA 89 - QG2 ILE 15 far 0 55 0 - 5.4-6.0 HB3 ARG 30 - QG2 ILE 15 far 0 69 0 - 6.4-7.2 HG12 ILE 8 - QG2 ILE 15 far 0 70 0 - 6.7-8.0 HB2 LYS 82 - QG2 ILE 8 far 0 92 0 - 7.5-9.2 QB ALA 89 - QG2 ILE 8 far 0 87 0 - 7.6-8.2 HB3 ARG 30 - QG2 ILE 8 far 0 99 0 - 7.8-9.2 HB3 LEU 27 - QG2 ILE 52 far 0 59 0 - 7.9-10.3 HB2 LEU 70 - QG2 ILE 8 far 0 100 0 - 8.4-9.9 HG LEU 14 - QG2 ILE 8 far 0 98 0 - 8.6-9.3 QB ALA 67 - QG2 ILE 15 far 0 52 0 - 9.1-10.2 HG3 LYS 68 - QG2 ILE 8 far 0 97 0 - 9.3-11.3 QB ALA 67 - QG2 ILE 52 far 0 51 0 - 9.7-12.1 QB ALA 25 - QG2 ILE 52 far 0 53 0 - 9.7-11.6 HG2 LYS 39 - QG2 ILE 8 far 0 94 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 302 from cnoeabs.peaks (0.89, 0.79, 17.45 ppm; 2.93 A): 5 out of 13 assignments used, quality = 1.00: * HG13 ILE 8 + QG2 ILE 8 OK 94 100 100 94 2.0-3.2 3.1=83, 2.1/324=24...(12) QG1 VAL 32 + QG2 ILE 8 OK 83 92 100 91 3.0-4.4 2.1/12205=42, 326/3.0=18...(21) QD1 LEU 2 + QG2 ILE 52 OK 67 68 100 98 1.6-3.7 12039/3.2=35, 89=27...(47) HG13 ILE 7 + QG2 ILE 15 OK 59 69 90 94 3.5-5.5 10118/3.2=24, 2.9/244=18...(38) QG2 ILE 76 + QG2 ILE 52 OK 39 68 75 76 2.1-5.2 3431=19, 9065/9066=16...(23) QD1 LEU 38 - QG2 ILE 8 poor 17 82 40 53 3.3-6.4 326/3.0=8, 294/2.1=8...(17) HG13 ILE 7 - QG2 ILE 8 far 0 100 0 - 5.6-6.8 QD2 LEU 64 - QG2 ILE 8 far 0 85 0 - 6.9-7.9 HG13 ILE 8 - QG2 ILE 15 far 0 70 0 - 7.0-8.6 QG1 VAL 32 - QG2 ILE 15 far 0 59 0 - 7.4-7.8 QD1 LEU 38 - QG2 ILE 15 far 0 51 0 - 8.1-11.2 QD1 LEU 38 - QG2 ILE 52 far 0 49 0 - 8.5-11.8 QD1 LEU 103 - QG2 ILE 52 far 0 54 0 - 9.1-13.5 Violated in 0 structures by 0.00 A. Peak 303 from cnoeabs.peaks (0.71, 0.79, 17.45 ppm; 2.71 A): 4 out of 32 assignments used, quality = 1.00: QG1 VAL 58 + QG2 ILE 8 OK 94 99 100 96 2.7-3.3 10224/2.1=29...(35) * QD1 ILE 8 + QG2 ILE 8 OK 92 100 100 92 1.9-3.1 3.0=77, 12200/12205=22...(17) QD1 ILE 52 + QG2 ILE 52 OK 57 62 100 92 1.8-2.9 3.1=68, 6864/4.0=17...(26) QD2 LEU 14 + QG2 ILE 15 OK 49 70 95 73 3.7-4.5 8413/3.2=23, 6215/4.0=13...(24) QG2 VAL 58 - QG2 ILE 8 far 10 70 15 - 3.7-4.9 QG1 VAL 78 - QG2 ILE 52 far 2 38 5 - 3.6-7.2 QD1 ILE 56 - QG2 ILE 8 far 0 100 0 - 4.8-7.4 QD2 LEU 14 - QG2 ILE 8 far 0 100 0 - 5.7-6.2 QD1 LEU 14 - QG2 ILE 15 far 0 44 0 - 5.8-6.1 QD2 LEU 6 - QG2 ILE 8 far 0 88 0 - 5.8-7.6 QG2 VAL 78 - QG2 ILE 52 far 0 64 0 - 5.8-9.1 QG1 VAL 5 - QG2 ILE 15 far 0 62 0 - 6.1-6.7 HG13 ILE 56 - QG2 ILE 8 far 0 100 0 - 6.1-8.3 QD2 LEU 27 - QG2 ILE 52 far 0 58 0 - 6.1-8.2 QD2 LEU 6 - QG2 ILE 15 far 0 56 0 - 6.5-7.6 QD1 LEU 64 - QG2 ILE 8 far 0 73 0 - 6.5-7.4 QD1 ILE 56 - QG2 ILE 52 far 0 68 0 - 6.7-10.5 QD1 LEU 14 - QG2 ILE 8 far 0 73 0 - 6.8-7.4 QD1 ILE 8 - QG2 ILE 15 far 0 70 0 - 6.9-8.2 QD1 LEU 42 - QG2 ILE 52 far 0 56 0 - 7.0-9.5 QD1 LEU 42 - QG2 ILE 8 far 0 91 0 - 7.0-8.4 QD2 LEU 6 - QG2 ILE 52 far 0 54 0 - 7.2-9.2 QG1 VAL 58 - QG2 ILE 15 far 0 67 0 - 7.5-8.5 QD1 ILE 56 - QG2 ILE 15 far 0 70 0 - 7.7-10.6 HG13 ILE 93 - QG2 ILE 15 far 0 42 0 - 7.9-9.6 QG1 VAL 5 - QG2 ILE 8 far 0 95 0 - 7.9-8.6 QG2 VAL 78 - QG2 ILE 8 far 0 98 0 - 8.3-9.3 QG2 VAL 58 - QG2 ILE 15 far 0 42 0 - 8.7-9.6 HG13 ILE 56 - QG2 ILE 15 far 0 70 0 - 9.2-11.7 HG13 ILE 56 - QG2 ILE 52 far 0 68 0 - 9.2-12.5 QG1 VAL 5 - QG2 ILE 52 far 0 60 0 - 9.2-10.8 QG1 VAL 78 - QG2 ILE 8 far 0 65 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 304 from cnoeabs.peaks (7.81, 0.79, 17.45 ppm; 3.93 A): 2 out of 11 assignments used, quality = 1.00: * H SER 9 + QG2 ILE 8 OK 100 100 100 100 3.4-3.6 4.1=87, 6102/3.2=77...(17) H SER 9 + QG2 ILE 15 OK 51 70 90 81 4.6-5.6 8436/3.0=39...(11) H LEU 3 - QG2 ILE 52 far 2 42 5 - 5.0-6.9 H LYS 20 - QG2 ILE 15 far 0 60 0 - 5.7-6.3 H LYS 66 - QG2 ILE 8 far 0 99 0 - 5.8-6.7 HE ARG 30 - QG2 ILE 15 far 0 57 0 - 5.8-9.9 H GLU 28 - QG2 ILE 52 far 0 64 0 - 7.7-9.9 HE ARG 30 - QG2 ILE 52 far 0 55 0 - 8.7-14.7 H TYR 41 - QG2 ILE 8 far 0 98 0 - 8.8-9.6 HE ARG 30 - QG2 ILE 8 far 0 90 0 - 9.3-12.1 H TYR 41 - QG2 ILE 52 far 0 64 0 - 9.5-12.2 Violated in 0 structures by 0.00 A. Peak 305 from cnoeabs.peaks (8.80, 1.36, 26.30 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.7-3.5 6096=100, 6094/2.9=75...(21) H SER 59 + HG12 ILE 8 OK 34 100 35 98 5.3-6.8 9400/2.9=58, 9396/3.1=53...(15) H ARG 81 - HG12 ILE 8 far 0 59 0 - 6.0-8.4 Violated in 0 structures by 0.00 A. Peak 306 from cnoeabs.peaks (4.61, 1.36, 26.30 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.3-3.4 4.1=100 HB THR 34 - HG12 ILE 8 far 0 96 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 307 from cnoeabs.peaks (1.90, 1.36, 26.30 ppm; 3.78 A): 1 out of 9 assignments used, quality = 1.00: * HB ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 66 - HG12 ILE 8 far 0 70 0 - 6.5-8.3 HB2 LYS 33 - HG12 ILE 8 far 0 90 0 - 7.6-9.6 HB3 LYS 33 - HG12 ILE 8 far 0 92 0 - 7.9-9.9 HG LEU 42 - HG12 ILE 8 far 0 100 0 - 8.2-10.4 HB3 LYS 68 - HG12 ILE 8 far 0 87 0 - 8.6-11.2 HB VAL 5 - HG12 ILE 8 far 0 70 0 - 9.6-10.2 HB VAL 54 - HG12 ILE 8 far 0 99 0 - 9.7-11.7 HB3 LEU 14 - HG12 ILE 8 far 0 100 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 308 from cnoeabs.peaks (0.79, 1.36, 26.30 ppm; 3.67 A): 4 out of 13 assignments used, quality = 1.00: * QG2 ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.6-3.2 3.1=100 QG2 ILE 7 + HG12 ILE 8 OK 93 98 100 95 4.1-4.6 256/6096=43, 254/1.8=29...(18) QD2 LEU 38 + HG12 ILE 8 OK 46 65 85 82 3.0-5.4 ~12201=16, 316/1.8=16...(19) QD1 LEU 6 + HG12 ILE 8 OK 44 96 95 49 3.7-6.4 12056/12204=10...(14) QD2 LEU 57 - HG12 ILE 8 far 0 99 0 - 5.6-7.1 QD2 LEU 42 - HG12 ILE 8 far 0 92 0 - 6.4-7.9 HG13 ILE 15 - HG12 ILE 8 far 0 73 0 - 6.5-7.7 QG2 ILE 15 - HG12 ILE 8 far 0 88 0 - 6.7-8.0 QD1 ILE 15 - HG12 ILE 8 far 0 82 0 - 6.7-7.5 QD1 LEU 70 - HG12 ILE 8 far 0 79 0 - 6.8-9.9 QG1 VAL 54 - HG12 ILE 8 far 0 85 0 - 7.4-8.3 QD2 LEU 70 - HG12 ILE 8 far 0 91 0 - 7.9-10.5 QD1 ILE 93 - HG12 ILE 8 far 0 95 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 309 from cnoeabs.peaks (1.36, 1.36, 26.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 8 + HG12 ILE 8 OK 100 100 - 100 Peak 310 from cnoeabs.peaks (0.89, 1.36, 26.30 ppm; 3.03 A): 3 out of 6 assignments used, quality = 1.00: * HG13 ILE 8 + HG12 ILE 8 OK 100 100 100 100 1.8-1.8 1.8=100 QG1 VAL 32 + HG12 ILE 8 OK 39 92 45 95 3.5-5.3 2.1/12204=43, ~12203=26...(20) QD1 LEU 38 + HG12 ILE 8 OK 28 82 55 62 2.7-7.3 326/2.1=12, ~12201=11...(16) HG13 ILE 7 - HG12 ILE 8 far 0 100 0 - 5.4-6.6 QD2 LEU 64 - HG12 ILE 8 far 0 85 0 - 8.2-10.0 QD1 LEU 103 - HG12 ILE 8 far 0 88 0 - 9.9-20.4 Violated in 0 structures by 0.00 A. Peak 311 from cnoeabs.peaks (0.71, 1.36, 26.30 ppm; 3.24 A): 2 out of 13 assignments used, quality = 1.00: * QD1 ILE 8 + HG12 ILE 8 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 58 + HG12 ILE 8 OK 98 99 100 99 1.9-3.7 10224/2.9=35, 319/1.8=32...(38) HG13 ILE 56 - HG12 ILE 8 far 10 100 10 - 4.0-7.3 QD1 ILE 56 - HG12 ILE 8 far 5 100 5 - 3.0-7.0 QG2 VAL 58 - HG12 ILE 8 far 3 70 5 - 4.6-6.3 QD2 LEU 6 - HG12 ILE 8 far 0 88 0 - 5.0-6.4 QD2 LEU 14 - HG12 ILE 8 far 0 100 0 - 6.0-6.9 QD1 LEU 64 - HG12 ILE 8 far 0 73 0 - 6.5-8.6 QG1 VAL 5 - HG12 ILE 8 far 0 95 0 - 6.7-7.8 QD1 LEU 42 - HG12 ILE 8 far 0 91 0 - 7.2-8.6 QD1 LEU 14 - HG12 ILE 8 far 0 73 0 - 7.4-8.4 QG2 VAL 78 - HG12 ILE 8 far 0 98 0 - 7.8-9.6 QG1 VAL 78 - HG12 ILE 8 far 0 65 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 312 from cnoeabs.peaks (7.81, 1.36, 26.30 ppm; 5.81 A): 1 out of 4 assignments used, quality = 1.00: * H SER 9 + HG12 ILE 8 OK 100 100 100 100 4.6-5.3 6105=100, 6102/4.1=97...(15) H LYS 66 - HG12 ILE 8 far 0 99 0 - 7.8-9.6 H TYR 41 - HG12 ILE 8 far 0 98 0 - 9.0-10.4 HE ARG 30 - HG12 ILE 8 far 0 90 0 - 9.4-11.7 Violated in 0 structures by 0.00 A. Peak 313 from cnoeabs.peaks (8.80, 0.89, 26.30 ppm; 4.73 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 8 + HG13 ILE 8 OK 100 100 100 100 3.0-4.6 4.6=100 H SER 59 - HG13 ILE 8 poor 20 100 20 98 5.7-6.7 9400/2.9=73, 9396/3.1=68...(8) H ARG 81 - HG13 ILE 8 far 0 59 0 - 6.7-9.4 Violated in 0 structures by 0.00 A. Peak 314 from cnoeabs.peaks (4.61, 0.89, 26.30 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 8 + HG13 ILE 8 OK 100 100 100 100 2.6-3.6 4.1=100 HB THR 34 - HG13 ILE 8 far 0 96 0 - 7.7-10.8 Violated in 0 structures by 0.00 A. Peak 315 from cnoeabs.peaks (1.90, 0.89, 26.30 ppm; 4.12 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 8 + HG13 ILE 8 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 66 - HG13 ILE 8 far 0 70 0 - 6.1-7.6 HB2 LYS 33 - HG13 ILE 8 far 0 90 0 - 6.7-9.4 HB3 LYS 33 - HG13 ILE 8 far 0 92 0 - 6.8-9.6 HG LEU 42 - HG13 ILE 8 far 0 100 0 - 7.9-9.9 HB3 LYS 68 - HG13 ILE 8 far 0 87 0 - 9.0-10.7 HB VAL 5 - HG13 ILE 8 far 0 70 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 316 from cnoeabs.peaks (0.79, 0.89, 26.30 ppm; 3.42 A): 4 out of 13 assignments used, quality = 1.00: * QG2 ILE 8 + HG13 ILE 8 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 ILE 7 + HG13 ILE 8 OK 67 98 75 91 4.3-5.6 254=35, 256/4.6=28...(14) QD2 LEU 38 + HG13 ILE 8 OK 48 65 100 73 2.1-4.9 ~12201=14, 324/2.1=14...(18) QD1 LEU 6 + HG13 ILE 8 OK 23 96 65 37 4.0-6.1 308/1.8=10...(9) QD1 LEU 70 - HG13 ILE 8 far 0 79 0 - 5.8-9.3 QD2 LEU 57 - HG13 ILE 8 far 0 99 0 - 5.9-8.0 QD2 LEU 42 - HG13 ILE 8 far 0 92 0 - 6.3-8.0 HG13 ILE 15 - HG13 ILE 8 far 0 73 0 - 6.8-8.3 QD1 ILE 15 - HG13 ILE 8 far 0 82 0 - 6.9-7.8 QG2 ILE 15 - HG13 ILE 8 far 0 88 0 - 7.0-8.6 QD2 LEU 70 - HG13 ILE 8 far 0 91 0 - 7.4-10.3 QG1 VAL 54 - HG13 ILE 8 far 0 85 0 - 7.7-9.0 QD1 ILE 93 - HG13 ILE 8 far 0 95 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 317 from cnoeabs.peaks (1.36, 0.89, 26.30 ppm; 3.19 A): 2 out of 7 assignments used, quality = 1.00: * HG12 ILE 8 + HG13 ILE 8 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 67 + HG13 ILE 8 OK 42 84 75 67 3.7-5.3 325/2.1=20, 293/2.9=14...(14) HB3 ARG 30 - HG13 ILE 8 far 0 99 0 - 6.8-8.6 QB ALA 89 - HG13 ILE 8 far 0 87 0 - 8.1-9.7 HB2 LYS 82 - HG13 ILE 8 far 0 92 0 - 8.5-11.2 HB2 LEU 70 - HG13 ILE 8 far 0 100 0 - 8.7-10.5 HG LEU 14 - HG13 ILE 8 far 0 98 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 318 from cnoeabs.peaks (0.89, 0.89, 26.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 8 + HG13 ILE 8 OK 100 100 - 100 Peak 319 from cnoeabs.peaks (0.71, 0.89, 26.30 ppm; 3.40 A): 2 out of 13 assignments used, quality = 1.00: * QD1 ILE 8 + HG13 ILE 8 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 58 + HG13 ILE 8 OK 98 99 100 99 2.2-3.9 10224/2.9=38, 311/1.8=37...(36) QD1 ILE 56 - HG13 ILE 8 far 5 100 5 - 3.8-7.2 HG13 ILE 56 - HG13 ILE 8 far 5 100 5 - 4.6-7.9 QD2 LEU 6 - HG13 ILE 8 far 4 88 5 - 4.6-7.0 QG2 VAL 58 - HG13 ILE 8 far 3 70 5 - 4.8-6.4 QD2 LEU 14 - HG13 ILE 8 far 0 100 0 - 6.7-7.9 QG1 VAL 5 - HG13 ILE 8 far 0 95 0 - 6.7-8.8 QD1 LEU 64 - HG13 ILE 8 far 0 73 0 - 7.0-9.2 QD1 LEU 42 - HG13 ILE 8 far 0 91 0 - 7.0-8.5 QD1 LEU 14 - HG13 ILE 8 far 0 73 0 - 7.8-9.2 QG2 VAL 78 - HG13 ILE 8 far 0 98 0 - 8.1-9.7 QG1 VAL 78 - HG13 ILE 8 far 0 65 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 320 from cnoeabs.peaks (7.81, 0.89, 26.30 ppm; 6.50 A): 1 out of 4 assignments used, quality = 1.00: * H SER 9 + HG13 ILE 8 OK 100 100 100 100 4.9-5.8 6105/1.8=100...(15) H LYS 66 - HG13 ILE 8 far 10 99 10 - 7.6-9.0 H TYR 41 - HG13 ILE 8 far 0 98 0 - 8.6-10.2 HE ARG 30 - HG13 ILE 8 far 0 90 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 321 from cnoeabs.peaks (8.80, 0.71, 13.69 ppm; 4.45 A): 4 out of 7 assignments used, quality = 1.00: * H ILE 8 + QD1 ILE 8 OK 100 100 100 100 2.3-4.4 6096/2.1=89, 6094/3.2=77...(20) H SER 59 + QD1 ILE 8 OK 100 100 100 100 4.5-5.5 9396/3.0=63, 9400/3.2=62...(18) H ARG 81 + QD1 ILE 56 OK 46 55 100 84 3.5-5.7 9303/3.2=31, 9735/3.0=29...(17) H ARG 81 + QD1 ILE 8 OK 27 59 85 54 5.0-6.6 4.2/10682=15...(12) H ILE 8 - QD1 ILE 56 far 5 98 5 - 5.0-7.7 H SER 59 - QD1 ILE 56 far 0 98 0 - 7.6-9.5 H ALA 22 - QD1 ILE 56 far 0 89 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 322 from cnoeabs.peaks (4.61, 0.71, 13.69 ppm; 4.38 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 8 + QD1 ILE 8 OK 100 100 100 100 3.5-3.9 4.1=100 HA ILE 8 - QD1 ILE 56 far 5 98 5 - 5.4-8.9 HB THR 34 - QD1 ILE 8 far 0 96 0 - 7.1-9.1 HA THR 84 - QD1 ILE 8 far 0 73 0 - 9.0-10.5 HB THR 34 - QD1 ILE 56 far 0 91 0 - 9.6-13.0 Violated in 0 structures by 0.00 A. Peak 323 from cnoeabs.peaks (1.90, 0.71, 13.69 ppm; 3.47 A): 4 out of 21 assignments used, quality = 1.00: * HB ILE 8 + QD1 ILE 8 OK 100 100 100 100 2.2-2.6 3.2=100 HB VAL 54 + QD1 ILE 56 OK 66 95 95 73 2.5-5.5 12126=29, 10678/2.1=23...(10) HB3 LYS 66 + QD1 ILE 8 OK 25 70 85 42 3.4-5.8 4.7/9520=10, 4.0/328=9...(12) HG LEU 42 + QD1 ILE 56 OK 23 98 55 43 3.7-6.9 10678/2.1=12, 1932=11...(12) HB ILE 8 - QD1 ILE 56 far 5 98 5 - 4.8-7.8 HB3 LYS 68 - QD1 ILE 56 far 0 82 0 - 5.1-8.3 HB VAL 5 - QD1 ILE 56 far 0 65 0 - 5.5-8.7 HG LEU 42 - QD1 ILE 8 far 0 100 0 - 5.8-7.9 HB3 LYS 68 - QD1 ILE 8 far 0 87 0 - 5.9-7.4 HB3 LYS 33 - QD1 ILE 8 far 0 92 0 - 6.7-8.5 HB2 LYS 33 - QD1 ILE 8 far 0 90 0 - 6.8-8.4 HB3 LYS 66 - QD1 ILE 56 far 0 65 0 - 6.8-9.0 HB VAL 54 - QD1 ILE 8 far 0 99 0 - 7.4-9.2 HB3 LYS 39 - QD1 ILE 56 far 0 67 0 - 7.6-10.0 HB3 LYS 39 - QD1 ILE 8 far 0 71 0 - 8.1-10.2 HB VAL 5 - QD1 ILE 8 far 0 70 0 - 8.1-9.9 HB3 LEU 14 - QD1 ILE 8 far 0 100 0 - 8.9-10.5 HB3 LYS 33 - QD1 ILE 56 far 0 87 0 - 8.9-12.9 HB2 LYS 33 - QD1 ILE 56 far 0 84 0 - 9.2-13.2 HB3 ARG 19 - QD1 ILE 56 far 0 65 0 - 9.7-14.4 HB2 ARG 19 - QD1 ILE 56 far 0 97 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 324 from cnoeabs.peaks (0.79, 0.71, 13.69 ppm; 2.52 A): 5 out of 36 assignments used, quality = 0.98: * QG2 ILE 8 + QD1 ILE 8 OK 85 100 100 85 1.9-3.1 3.0=63, 12205/12200=19...(18) QD1 LEU 6 + QD1 ILE 56 OK 60 91 90 73 1.9-5.4 230=19, 2.1/2597=15...(20) QD2 LEU 38 + QD1 ILE 8 OK 41 65 100 63 1.9-3.5 2.1/12201=12, 10696=10...(16) QG1 VAL 54 + QD1 ILE 56 OK 34 80 95 45 1.8-4.5 10209/2.1=12...(11) QD2 LEU 42 + QD1 ILE 56 OK 21 87 95 25 2.0-4.2 1948=7, 2.1/1932=4...(9) QD2 LEU 38 - QD1 ILE 56 far 9 61 15 - 2.7-6.0 QD1 LEU 6 - QD1 ILE 8 poor 9 96 35 26 3.6-6.0 308/2.1=5, 12056/12200=4...(9) QD2 LEU 57 - QD1 ILE 56 poor 6 96 30 20 3.8-5.0 4.6/2600=4, ~9353=3...(9) QG2 ILE 7 - QD1 ILE 8 far 0 98 0 - 4.2-5.4 QD1 LEU 70 - QD1 ILE 8 far 0 79 0 - 4.3-6.7 QD2 LEU 57 - QD1 ILE 8 far 0 99 0 - 4.6-6.4 QG2 ILE 8 - QD1 ILE 56 far 0 98 0 - 4.8-7.4 QD2 LEU 42 - QD1 ILE 8 far 0 92 0 - 4.9-6.2 QD1 LEU 70 - QD1 ILE 56 far 0 74 0 - 5.0-7.6 QD2 LEU 70 - QD1 ILE 8 far 0 91 0 - 5.3-7.9 QG2 ILE 7 - QD1 ILE 56 far 0 94 0 - 5.4-8.1 QD2 LEU 103 - QD1 ILE 56 far 0 53 0 - 5.5-13.3 QD1 ILE 76 - QD1 ILE 56 far 0 93 0 - 5.5-6.6 QD2 LEU 70 - QD1 ILE 56 far 0 86 0 - 6.1-8.4 QG1 VAL 54 - QD1 ILE 8 far 0 85 0 - 6.1-6.9 QD1 ILE 93 - QD1 ILE 56 far 0 90 0 - 6.3-8.9 QD1 ILE 15 - QD1 ILE 8 far 0 82 0 - 6.3-7.5 QG2 ILE 52 - QD1 ILE 56 far 0 96 0 - 6.7-10.5 HG13 ILE 15 - QD1 ILE 8 far 0 73 0 - 6.7-8.2 QG2 ILE 93 - QD1 ILE 56 far 0 61 0 - 6.8-9.2 QG2 ILE 15 - QD1 ILE 8 far 0 88 0 - 6.9-8.2 QD1 LEU 27 - QD1 ILE 56 far 0 89 0 - 7.1-9.0 QD1 ILE 93 - QD1 ILE 8 far 0 95 0 - 7.4-9.2 QD2 LEU 2 - QD1 ILE 56 far 0 84 0 - 7.6-11.8 QG2 ILE 15 - QD1 ILE 56 far 0 83 0 - 7.7-10.6 QD2 LEU 103 - QD1 ILE 8 far 0 57 0 - 7.8-17.3 QD1 ILE 15 - QD1 ILE 56 far 0 77 0 - 8.2-10.8 QD1 ILE 76 - QD1 ILE 8 far 0 97 0 - 8.4-9.2 HG13 ILE 15 - QD1 ILE 56 far 0 68 0 - 8.4-11.6 QG2 ILE 93 - QD1 ILE 8 far 0 65 0 - 9.1-10.8 QD1 LEU 27 - QD1 ILE 8 far 0 94 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 325 from cnoeabs.peaks (1.36, 0.71, 13.69 ppm; 2.98 A): 3 out of 22 assignments used, quality = 1.00: * HG12 ILE 8 + QD1 ILE 8 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 67 + QD1 ILE 8 OK 68 84 100 81 1.8-3.3 9527=17, 317/2.1=17...(28) QB ALA 67 + QD1 ILE 56 OK 67 79 100 86 2.3-3.9 10677/2.1=41...(16) HG12 ILE 8 - QD1 ILE 56 far 5 98 5 - 3.0-7.0 HG3 LYS 68 - QD1 ILE 56 far 5 93 5 - 4.2-8.5 HB2 LEU 70 - QD1 ILE 56 far 0 97 0 - 5.5-7.2 HB3 ARG 30 - QD1 ILE 56 far 0 96 0 - 5.5-9.2 HB2 LEU 70 - QD1 ILE 8 far 0 100 0 - 6.2-7.9 QB ALA 89 - QD1 ILE 8 far 0 87 0 - 6.3-8.5 HB3 ARG 30 - QD1 ILE 8 far 0 99 0 - 6.5-7.9 HB2 LYS 82 - QD1 ILE 8 far 0 92 0 - 6.7-8.1 HG3 LYS 68 - QD1 ILE 8 far 0 97 0 - 7.3-9.0 QB ALA 89 - QD1 ILE 56 far 0 82 0 - 7.3-8.8 HB2 LYS 82 - QD1 ILE 56 far 0 87 0 - 7.8-10.2 HB3 LEU 27 - QD1 ILE 56 far 0 88 0 - 8.0-10.3 HG LEU 14 - QD1 ILE 8 far 0 98 0 - 8.1-9.9 HG2 LYS 39 - QD1 ILE 8 far 0 94 0 - 8.3-10.1 HG2 LYS 39 - QD1 ILE 56 far 0 89 0 - 8.6-10.2 HG3 LYS 40 - QD1 ILE 56 far 0 97 0 - 9.4-12.4 QB ALA 25 - QD1 ILE 56 far 0 82 0 - 9.6-11.4 HB3 LEU 2 - QD1 ILE 56 far 0 72 0 - 9.9-14.6 HG LEU 14 - QD1 ILE 56 far 0 94 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 326 from cnoeabs.peaks (0.89, 0.71, 13.69 ppm; 2.85 A): 3 out of 15 assignments used, quality = 1.00: * HG13 ILE 8 + QD1 ILE 8 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 32 + QD1 ILE 8 OK 87 92 100 94 2.2-4.1 2.1/12200=42, ~12204=21...(28) QD1 LEU 38 + QD1 ILE 8 OK 42 82 75 67 1.7-4.8 2.1/12201=16...(16) QD1 LEU 38 - QD1 ILE 56 lone 7 77 50 17 1.8-5.5 3.1/12202=5, ~10674=3...(7) HG13 ILE 8 - QD1 ILE 56 far 5 98 5 - 3.8-7.2 QG1 VAL 32 - QD1 ILE 56 far 4 87 5 - 3.6-6.9 QD1 LEU 103 - QD1 ILE 56 far 0 83 0 - 5.1-13.5 QG2 ILE 76 - QD1 ILE 56 far 0 97 0 - 5.2-7.2 HG13 ILE 7 - QD1 ILE 8 far 0 100 0 - 5.2-7.3 QD2 LEU 64 - QD1 ILE 8 far 0 85 0 - 6.2-7.2 QD2 LEU 64 - QD1 ILE 56 far 0 80 0 - 6.8-8.9 HG13 ILE 7 - QD1 ILE 56 far 0 97 0 - 7.0-9.7 QD1 LEU 103 - QD1 ILE 8 far 0 88 0 - 8.4-17.0 QG2 ILE 76 - QD1 ILE 8 far 0 100 0 - 8.8-10.2 QD1 LEU 2 - QD1 ILE 56 far 0 97 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 327 from cnoeabs.peaks (0.71, 0.71, 13.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 8 + QD1 ILE 8 OK 100 100 - 100 QD1 ILE 56 + QD1 ILE 56 OK 97 97 - 100 Peak 328 from cnoeabs.peaks (7.81, 0.71, 13.69 ppm; 5.65 A): 2 out of 11 assignments used, quality = 1.00: * H SER 9 + QD1 ILE 8 OK 100 100 100 100 4.9-5.6 6105/2.1=96, 6102/4.1=96...(14) H LYS 66 + QD1 ILE 8 OK 91 99 100 92 4.7-6.6 7077/9520=32...(16) H TYR 41 - QD1 ILE 56 poor 13 94 30 45 6.0-9.1 8869/324=8, 8882/1932=8...(12) HE ARG 30 - QD1 ILE 56 far 4 84 5 - 6.9-12.0 H SER 9 - QD1 ILE 56 far 0 98 0 - 7.2-10.4 H TYR 41 - QD1 ILE 8 far 0 98 0 - 7.2-8.2 H LYS 66 - QD1 ILE 56 far 0 96 0 - 7.3-9.3 H GLU 28 - QD1 ILE 56 far 0 94 0 - 7.8-10.3 H LYS 73 - QD1 ILE 56 far 0 72 0 - 8.1-10.0 HE ARG 30 - QD1 ILE 8 far 0 90 0 - 8.7-10.9 H LEU 3 - QD1 ILE 56 far 0 67 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 329 from cnoeabs.peaks (7.81, 4.43, 58.24 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H SER 9 + HA SER 9 OK 100 100 100 100 2.9-2.9 2.9=100 H LYS 73 - HA ILE 76 far 0 61 0 - 8.3-8.7 Violated in 0 structures by 0.00 A. Peak 330 from cnoeabs.peaks (4.43, 4.43, 58.24 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 9 + HA SER 9 OK 100 100 - 100 HA ILE 76 + HA ILE 76 OK 88 88 - 100 Peak 331 from cnoeabs.peaks (2.99, 4.43, 58.24 ppm; 4.03 A): 1 out of 8 assignments used, quality = 1.00: * HB2 SER 9 + HA SER 9 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 PHE 45 - HA ILE 76 far 4 86 5 - 5.3-7.8 HB3 PHE 45 - HA ILE 76 far 4 70 5 - 5.4-8.0 HB3 ASP 11 - HA SER 9 far 0 100 0 - 6.4-7.2 HE2 LYS 12 - HA SER 9 far 0 96 0 - 7.5-11.9 HE3 LYS 33 - HA SER 9 far 0 79 0 - 7.6-10.3 HE2 LYS 33 - HA SER 9 far 0 79 0 - 7.7-10.7 HE3 LYS 12 - HA SER 9 far 0 84 0 - 8.6-12.9 Violated in 0 structures by 0.00 A. Peak 332 from cnoeabs.peaks (3.92, 4.43, 58.24 ppm; 3.60 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 9 + HA SER 9 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 63 - HA SER 9 far 0 98 0 - 7.4-8.9 Violated in 0 structures by 0.00 A. Peak 333 from cnoeabs.peaks (8.64, 4.43, 58.24 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 10 + HA SER 9 OK 100 100 100 100 2.2-2.5 6114=100, 6116/3.0=37...(13) H ASP 11 + HA SER 9 OK 68 73 100 93 3.7-4.0 10387=44, 4.6/6114=34...(12) H LEU 55 - HA ILE 76 far 0 87 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 334 from cnoeabs.peaks (7.81, 2.99, 64.26 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + HB2 SER 9 OK 100 100 100 100 2.8-3.2 4.0=100 Violated in 0 structures by 0.00 A. Peak 335 from cnoeabs.peaks (4.43, 2.99, 64.26 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 9 + HB2 SER 9 OK 100 100 100 100 2.6-3.0 3.0=100 HB THR 84 - HB2 SER 9 far 0 99 0 - 7.2-9.8 HA VAL 32 - HB2 SER 9 far 0 94 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 336 from cnoeabs.peaks (2.99, 2.99, 64.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 9 + HB2 SER 9 OK 100 100 - 100 Peak 337 from cnoeabs.peaks (3.92, 2.99, 64.26 ppm; 3.06 A): 1 out of 4 assignments used, quality = 1.00: * HB3 SER 9 + HB2 SER 9 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 89 - HB2 SER 9 far 0 85 0 - 7.9-9.3 HA GLU 63 - HB2 SER 9 far 0 98 0 - 9.1-10.9 HB2 SER 85 - HB2 SER 9 far 0 88 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 338 from cnoeabs.peaks (8.64, 2.99, 64.26 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 10 + HB2 SER 9 OK 100 100 100 100 3.4-4.1 4.6=100 H ASP 11 + HB2 SER 9 OK 73 73 100 99 2.8-4.1 10388/1.8=57...(21) H ALA 18 - HB2 SER 9 far 0 97 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 339 from cnoeabs.peaks (7.81, 3.92, 64.26 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H SER 9 + HB3 SER 9 OK 100 100 100 100 3.1-3.5 4.0=100 Violated in 0 structures by 0.00 A. Peak 340 from cnoeabs.peaks (4.43, 3.92, 64.26 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * HA SER 9 + HB3 SER 9 OK 100 100 100 100 2.4-3.0 3.0=100 HB THR 84 - HB2 SER 85 far 7 68 10 - 4.5-7.0 HB THR 84 - HB3 SER 9 far 0 99 0 - 7.4-9.2 HA VAL 32 - HB3 SER 9 far 0 94 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 341 from cnoeabs.peaks (2.99, 3.92, 64.26 ppm; 3.00 A): 1 out of 12 assignments used, quality = 1.00: * HB2 SER 9 + HB3 SER 9 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 11 - HB3 SER 9 poor 20 100 20 - 3.8-6.3 HE2 LYS 13 - HB2 SER 85 far 0 47 0 - 5.1-8.7 HE3 LYS 13 - HB2 SER 85 far 0 44 0 - 6.6-10.2 HE2 LYS 12 - HB3 SER 9 far 0 96 0 - 6.8-12.1 HB3 ASP 11 - HB2 SER 85 far 0 72 0 - 7.7-8.8 HE3 LYS 12 - HB3 SER 9 far 0 84 0 - 7.8-12.9 HE3 LYS 33 - HB3 SER 9 far 0 79 0 - 8.4-11.7 HE2 LYS 13 - HB3 SER 9 far 0 75 0 - 8.7-10.4 HE2 LYS 33 - HB3 SER 9 far 0 79 0 - 8.7-12.1 HE3 LYS 13 - HB3 SER 9 far 0 71 0 - 8.7-11.1 HB2 SER 9 - HB2 SER 85 far 0 72 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 342 from cnoeabs.peaks (3.92, 3.92, 64.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 9 + HB3 SER 9 OK 100 100 - 100 HB2 SER 85 + HB2 SER 85 OK 57 57 - 100 Peak 343 from cnoeabs.peaks (8.64, 3.92, 64.26 ppm; 4.55 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 10 + HB3 SER 9 OK 100 100 100 100 3.3-4.1 6116=100, 6114/3.0=86...(11) H ASP 11 + HB3 SER 9 OK 73 73 100 99 2.4-4.1 10388=65, 8372/2.8=52...(14) H ALA 18 - HB3 SER 9 far 0 97 0 - 8.3-9.7 H ALA 18 - HB2 SER 85 far 0 66 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 344 from cnoeabs.peaks (8.64, 4.94, 52.22 ppm; 4.81 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HA ASN 10 OK 100 100 100 100 2.9-2.9 3.0=100 H ASP 11 + HA ASN 10 OK 73 73 100 100 3.2-3.3 3.6=100 Violated in 0 structures by 0.00 A. Peak 345 from cnoeabs.peaks (4.94, 4.94, 52.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HA ASN 10 OK 100 100 - 100 Peak 346 from cnoeabs.peaks (2.93, 4.94, 52.22 ppm; 3.12 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASN 10 + HA ASN 10 OK 100 100 100 100 2.9-3.0 3.0=100 HE3 LYS 12 - HA ASN 10 far 0 63 0 - 4.9-9.8 HB2 ASN 60 - HA ASN 10 far 0 65 0 - 9.0-10.9 HE2 LYS 13 - HA ASN 10 far 0 73 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 347 from cnoeabs.peaks (2.75, 4.94, 52.22 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HA ASN 10 OK 100 100 100 100 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 350 from cnoeabs.peaks (8.67, 4.94, 52.22 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 11 + HA ASN 10 OK 100 100 100 100 3.2-3.3 3.6=100 H ASN 10 + HA ASN 10 OK 73 73 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 351 from cnoeabs.peaks (8.64, 2.93, 39.13 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HB2 ASN 10 OK 100 100 100 100 2.2-3.1 4.0=99, 6119/1.8=83...(8) H ASP 11 + HB2 ASN 10 OK 72 73 100 98 3.5-3.8 4.6=64, 6139/1.8=42...(11) Violated in 0 structures by 0.00 A. Peak 352 from cnoeabs.peaks (4.94, 2.93, 39.13 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HB2 ASN 10 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 353 from cnoeabs.peaks (2.93, 2.93, 39.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + HB2 ASN 10 OK 100 100 - 100 Peak 354 from cnoeabs.peaks (2.75, 2.93, 39.13 ppm; 2.43 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 355 from cnoeabs.peaks (6.98, 2.93, 39.13 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HB2 ASN 10 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 356 from cnoeabs.peaks (7.61, 2.93, 39.13 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HB2 ASN 10 OK 100 100 100 100 2.2-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 357 from cnoeabs.peaks (8.67, 2.93, 39.13 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 11 + HB2 ASN 10 OK 100 100 100 100 3.5-3.8 6138=91, 6139/1.8=74...(11) H ASN 10 + HB2 ASN 10 OK 73 73 100 100 2.2-3.1 4.0=100 Violated in 0 structures by 0.00 A. Peak 358 from cnoeabs.peaks (8.64, 2.75, 39.13 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 10 + HB3 ASN 10 OK 100 100 100 100 2.2-3.6 6119=100, 6118/1.8=59...(8) H ASP 11 + HB3 ASN 10 OK 71 73 100 97 3.8-4.1 4.6=56, 6138/1.8=47...(10) Violated in 0 structures by 0.00 A. Peak 359 from cnoeabs.peaks (4.94, 2.75, 39.13 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HB3 ASN 10 OK 100 100 100 100 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 360 from cnoeabs.peaks (2.93, 2.75, 39.13 ppm; 2.44 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 10 + HB3 ASN 10 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 12 - HB3 ASN 10 far 0 63 0 - 5.4-12.1 HB2 ASN 60 - HB3 ASN 10 far 0 65 0 - 8.0-11.1 HE2 LYS 13 - HB3 ASN 10 far 0 73 0 - 9.3-12.1 HE3 LYS 13 - HB3 ASN 10 far 0 77 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 361 from cnoeabs.peaks (2.75, 2.75, 39.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HB3 ASN 10 OK 100 100 - 100 Peak 362 from cnoeabs.peaks (6.98, 2.75, 39.13 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HB3 ASN 10 OK 100 100 100 100 3.5-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 363 from cnoeabs.peaks (7.61, 2.75, 39.13 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HB3 ASN 10 OK 100 100 100 100 2.2-2.9 3.5=100 Violated in 0 structures by 0.00 A. Peak 364 from cnoeabs.peaks (8.67, 2.75, 39.13 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * H ASP 11 + HB3 ASN 10 OK 100 100 100 100 3.8-4.1 6139=82, 6138/1.8=81...(10) H ASN 10 + HB3 ASN 10 OK 73 73 100 100 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 365 from cnoeabs.peaks (8.67, 4.60, 53.23 ppm; 4.00 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 11 + HA ASP 11 OK 100 100 100 100 2.9-2.9 3.0=100 H ASN 10 + HA ASP 11 OK 62 73 100 84 4.7-5.0 4.0/8353=31, 4.0/8355=29...(10) H ALA 18 - HA ASP 11 far 0 94 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 366 from cnoeabs.peaks (4.60, 4.60, 53.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 11 + HA ASP 11 OK 100 100 - 100 Peak 367 from cnoeabs.peaks (2.43, 4.60, 53.23 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 11 + HA ASP 11 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLU 17 - HA ASP 11 far 0 100 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 368 from cnoeabs.peaks (2.99, 4.60, 53.23 ppm; 4.42 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ASP 11 + HA ASP 11 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 SER 9 + HA ASP 11 OK 79 100 80 99 5.4-6.8 ~10388=45, 6144/3.0=44...(17) HE3 LYS 13 - HA ASP 11 poor 13 65 20 - 5.6-7.1 HE2 LYS 13 - HA ASP 11 far 7 70 10 - 5.4-7.2 HE2 LYS 12 - HA ASP 11 far 5 98 5 - 5.2-7.7 HE3 LYS 12 - HA ASP 11 far 0 79 0 - 6.0-8.3 HE2 LYS 33 - HA ASP 11 far 0 84 0 - 9.2-12.7 HE3 LYS 33 - HA ASP 11 far 0 84 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 369 from cnoeabs.peaks (8.56, 4.60, 53.23 ppm; 3.01 A): 1 out of 1 assignment used, quality = 0.99: * H LYS 12 + HA ASP 11 OK 99 100 100 99 2.3-2.3 6148=96, 6145/3.0=35...(11) Violated in 0 structures by 0.00 A. Peak 370 from cnoeabs.peaks (8.67, 2.43, 40.97 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 11 + HB2 ASP 11 OK 99 100 100 99 2.1-3.0 4.0=82, 6144/1.8=43...(15) H ASN 10 + HB2 ASP 11 OK 64 73 100 87 3.9-4.5 4.0/8360=31, 4.0/8358=26...(11) H ALA 18 - HB2 ASP 11 far 0 94 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 371 from cnoeabs.peaks (4.60, 2.43, 40.97 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 11 + HB2 ASP 11 OK 100 100 100 100 2.3-2.9 3.0=100 HA THR 84 - HB2 ASP 11 far 0 95 0 - 5.6-7.2 HA ILE 8 - HB2 ASP 11 far 0 96 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 372 from cnoeabs.peaks (2.43, 2.43, 40.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 11 + HB2 ASP 11 OK 100 100 - 100 Peak 373 from cnoeabs.peaks (2.99, 2.43, 40.97 ppm; 3.07 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ASP 11 + HB2 ASP 11 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 9 + HB2 ASP 11 OK 56 100 80 69 3.6-5.0 2.8/8374=23, 6144/4.0=17...(13) HE2 LYS 13 - HB2 ASP 11 far 0 70 0 - 5.3-6.7 HE3 LYS 13 - HB2 ASP 11 far 0 65 0 - 5.6-7.2 HE2 LYS 12 - HB2 ASP 11 far 0 98 0 - 6.9-9.9 HE3 LYS 12 - HB2 ASP 11 far 0 79 0 - 8.3-10.5 Violated in 0 structures by 0.00 A. Peak 374 from cnoeabs.peaks (8.56, 2.43, 40.97 ppm; 4.83 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 12 + HB2 ASP 11 OK 100 100 100 100 4.5-4.7 4.5=100 H VAL 58 - HB2 ASP 11 far 0 92 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 375 from cnoeabs.peaks (8.67, 2.99, 40.97 ppm; 3.99 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 11 + HB3 ASP 11 OK 100 100 100 100 3.1-3.6 4.0=100 H ASN 10 + HB3 ASP 11 OK 29 73 50 80 5.4-5.7 370/1.8=32, 4.6/6144=23...(9) H ALA 18 - HB3 ASP 11 far 0 94 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 376 from cnoeabs.peaks (4.60, 2.99, 40.97 ppm; 4.19 A): 1 out of 3 assignments used, quality = 1.00: * HA ASP 11 + HB3 ASP 11 OK 100 100 100 100 2.5-2.9 3.0=100 HA THR 84 - HB3 ASP 11 far 0 95 0 - 6.7-7.9 HA ILE 8 - HB3 ASP 11 far 0 96 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 377 from cnoeabs.peaks (2.43, 2.99, 40.97 ppm; 3.22 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 11 + HB3 ASP 11 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 17 - HB3 ASP 11 far 0 100 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 378 from cnoeabs.peaks (2.99, 2.99, 40.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 11 + HB3 ASP 11 OK 100 100 - 100 Peak 379 from cnoeabs.peaks (8.56, 2.99, 40.97 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 12 + HB3 ASP 11 OK 100 100 100 100 4.1-4.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 380 from cnoeabs.peaks (8.56, 3.85, 59.58 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 12 + HA LYS 12 OK 100 100 100 100 2.7-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 381 from cnoeabs.peaks (3.85, 3.85, 59.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 12 + HA LYS 12 OK 100 100 - 100 HA LYS 94 + HA LYS 94 OK 66 66 - 100 Peak 382 from cnoeabs.peaks (1.86, 3.85, 59.58 ppm; 2.84 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 12 + HA LYS 12 OK 99 100 100 99 2.2-2.4 3.0=87, 3.0/384=38...(23) HB3 LYS 12 + HA LYS 12 OK 99 100 100 99 2.8-3.0 3.0=87, 3.0/384=38...(20) HB3 LEU 14 - HA LYS 12 far 0 61 0 - 5.2-5.7 HB3 GLU 104 - HA LYS 94 far 0 68 0 - 6.7-18.9 HB3 LYS 90 - HA LYS 94 far 0 46 0 - 6.9-8.8 HB2 ARG 19 - HA LYS 12 far 0 81 0 - 7.3-9.7 HB VAL 5 - HA LYS 94 far 0 69 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 383 from cnoeabs.peaks (1.87, 3.85, 59.58 ppm; 2.84 A): 2 out of 7 assignments used, quality = 1.00: HB2 LYS 12 + HA LYS 12 OK 99 100 100 99 2.2-2.4 3.0=87, 3.0/384=38...(23) * HB3 LYS 12 + HA LYS 12 OK 99 100 100 99 2.8-3.0 3.0=87, 3.0/384=38...(20) HB3 LEU 14 - HA LYS 12 far 0 65 0 - 5.2-5.7 HB3 GLU 104 - HA LYS 94 far 0 69 0 - 6.7-18.9 HB3 LYS 90 - HA LYS 94 far 0 43 0 - 6.9-8.8 HB2 ARG 19 - HA LYS 12 far 0 84 0 - 7.3-9.7 HB VAL 5 - HA LYS 94 far 0 69 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 384 from cnoeabs.peaks (1.45, 3.85, 59.58 ppm; 3.30 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 12 + HA LYS 12 OK 100 100 100 100 2.7-4.1 3.7=71, 3.0/382=30...(37) HG2 LYS 13 - HA LYS 12 poor 19 96 20 - 4.8-5.0 QB ALA 22 - HA LYS 94 far 0 66 0 - 5.6-7.3 HB2 LEU 27 - HA LYS 94 far 0 65 0 - 6.6-8.5 HG12 ILE 7 - HA LYS 12 far 0 91 0 - 6.8-8.8 HG3 ARG 91 - HA LYS 94 far 0 68 0 - 8.4-9.8 HG LEU 29 - HA LYS 12 far 0 99 0 - 9.2-11.1 HG2 LYS 20 - HA LYS 12 far 0 98 0 - 9.5-10.7 HG LEU 29 - HA LYS 94 far 0 66 0 - 9.7-13.1 Violated in 3 structures by 0.06 A. Peak 385 from cnoeabs.peaks (1.59, 3.85, 59.58 ppm; 3.53 A): 3 out of 10 assignments used, quality = 1.00: * HG3 LYS 12 + HA LYS 12 OK 100 100 100 100 3.3-4.2 3.7=87, 1.8/384=78...(38) HD3 LYS 94 + HA LYS 94 OK 68 69 100 99 2.0-4.7 4.7=41, 3.0/4175=24...(46) HD2 LYS 94 + HA LYS 94 OK 46 46 100 99 2.0-4.7 4.7=41, 3.0/4175=24...(45) HG LEU 27 - HA LYS 94 far 0 69 0 - 5.4-7.2 HG2 LYS 24 - HA LYS 94 far 0 67 0 - 6.3-9.0 HG2 ARG 19 - HA LYS 12 far 0 99 0 - 6.9-9.7 HG3 LYS 90 - HA LYS 94 far 0 66 0 - 7.8-10.5 HB3 LEU 29 - HA LYS 94 far 0 69 0 - 8.8-11.0 HB2 LEU 103 - HA LYS 94 far 0 67 0 - 9.0-17.1 HG LEU 103 - HA LYS 94 far 0 65 0 - 9.1-17.7 Violated in 1 structures by 0.00 A. Peak 386 from cnoeabs.peaks (1.70, 3.85, 59.58 ppm; 2.91 A): 4 out of 19 assignments used, quality = 1.00: * HD2 LYS 12 + HA LYS 12 OK 97 100 100 97 2.7-3.1 3.0/384=40, 3.0/460=20...(45) HD3 LYS 12 + HA LYS 12 OK 91 100 95 96 3.4-4.5 3.0/384=40, 3.0/460=20...(43) HG12 ILE 15 + HA LYS 12 OK 78 100 85 92 4.3-4.7 2.1/8446=45, 2.9/644=36...(21) HB ILE 15 + HA LYS 12 OK 73 79 100 93 2.1-2.6 644=37, 3.2/8446=34...(21) HD2 LYS 24 - HA LYS 94 far 0 69 0 - 5.9-9.8 HD2 LYS 13 - HA LYS 12 far 0 100 0 - 6.0-7.2 HD3 LYS 13 - HA LYS 12 far 0 100 0 - 6.1-7.2 HD3 LYS 24 - HA LYS 94 far 0 69 0 - 6.3-10.5 HB3 ARG 91 - HA LYS 94 far 0 60 0 - 7.1-8.7 HD2 LYS 33 - HA LYS 12 far 0 87 0 - 8.4-9.6 HD3 LYS 33 - HA LYS 12 far 0 87 0 - 8.5-10.4 HD2 LYS 90 - HA LYS 94 far 0 34 0 - 8.5-11.1 HD2 LYS 20 - HA LYS 12 far 0 88 0 - 8.7-11.3 HD3 LYS 90 - HA LYS 94 far 0 69 0 - 8.7-10.8 HD3 LYS 20 - HA LYS 12 far 0 84 0 - 8.9-12.3 HG2 PRO 86 - HA LYS 12 far 0 99 0 - 9.4-10.3 HG3 LYS 20 - HA LYS 12 far 0 84 0 - 9.7-12.3 HD2 LYS 90 - HA LYS 12 far 0 59 0 - 9.8-13.8 HG3 LYS 20 - HA LYS 94 far 0 51 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 387 from cnoeabs.peaks (1.70, 3.85, 59.58 ppm; 2.91 A): 4 out of 19 assignments used, quality = 1.00: HD2 LYS 12 + HA LYS 12 OK 97 100 100 97 2.7-3.1 3.0/384=40, 3.0/460=20...(45) * HD3 LYS 12 + HA LYS 12 OK 91 100 95 96 3.4-4.5 3.0/384=40, 3.0/460=20...(43) HG12 ILE 15 + HA LYS 12 OK 78 100 85 92 4.3-4.7 2.1/8446=45, 2.9/644=36...(21) HB ILE 15 + HA LYS 12 OK 73 79 100 93 2.1-2.6 644=37, 3.2/8446=34...(21) HD2 LYS 24 - HA LYS 94 far 0 69 0 - 5.9-9.8 HD2 LYS 13 - HA LYS 12 far 0 100 0 - 6.0-7.2 HD3 LYS 13 - HA LYS 12 far 0 100 0 - 6.1-7.2 HD3 LYS 24 - HA LYS 94 far 0 69 0 - 6.3-10.5 HB3 ARG 91 - HA LYS 94 far 0 60 0 - 7.1-8.7 HD2 LYS 33 - HA LYS 12 far 0 87 0 - 8.4-9.6 HD3 LYS 33 - HA LYS 12 far 0 87 0 - 8.5-10.4 HD2 LYS 90 - HA LYS 94 far 0 34 0 - 8.5-11.1 HD2 LYS 20 - HA LYS 12 far 0 88 0 - 8.7-11.3 HD3 LYS 90 - HA LYS 94 far 0 69 0 - 8.7-10.8 HD3 LYS 20 - HA LYS 12 far 0 84 0 - 8.9-12.3 HG2 PRO 86 - HA LYS 12 far 0 99 0 - 9.4-10.3 HG3 LYS 20 - HA LYS 12 far 0 84 0 - 9.7-12.3 HD2 LYS 90 - HA LYS 12 far 0 59 0 - 9.8-13.8 HG3 LYS 20 - HA LYS 94 far 0 51 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 388 from cnoeabs.peaks (3.01, 3.85, 59.58 ppm; 6.50 A): 3 out of 5 assignments used, quality = 1.00: * HE2 LYS 12 + HA LYS 12 OK 100 100 100 100 3.1-5.0 6.3=100 HB3 ASP 11 + HA LYS 12 OK 98 98 100 100 5.0-5.3 ~369=82, ~6148=82...(13) HB2 SER 9 + HA LYS 12 OK 91 96 100 96 5.7-7.9 8444/8450=61...(9) HE2 LYS 33 - HA LYS 12 far 10 98 10 - 7.3-10.1 HE3 LYS 33 - HA LYS 12 far 10 98 10 - 7.5-10.8 Violated in 0 structures by 0.00 A. Peak 389 from cnoeabs.peaks (2.96, 3.85, 59.58 ppm; 5.20 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 12 + HA LYS 12 OK 100 100 100 100 3.7-5.3 1.8/460=87, 4.0/384=84...(36) HB3 ASP 11 + HA LYS 12 OK 77 79 100 98 5.0-5.3 ~369=56, ~6148=55...(13) HB2 SER 9 + HA LYS 12 OK 54 84 80 81 5.7-7.9 8444/8450=36...(9) HG2 MET 21 + HA LYS 94 OK 51 52 100 98 5.0-6.6 8534/3.0=61, 3.4/8541=36...(20) HE3 LYS 24 - HA LYS 94 far 10 69 15 - 5.6-10.6 HB2 ASN 10 - HA LYS 12 far 0 63 0 - 6.8-7.8 HE2 LYS 24 - HA LYS 94 far 0 69 0 - 6.9-11.2 HE3 LYS 13 - HA LYS 12 far 0 100 0 - 8.1-8.4 HE2 LYS 13 - HA LYS 12 far 0 100 0 - 8.1-9.0 HE3 LYS 90 - HA LYS 94 far 0 47 0 - 9.4-12.2 HE3 LYS 90 - HA LYS 12 far 0 79 0 - 9.6-14.4 Violated in 0 structures by 0.00 A. Peak 390 from cnoeabs.peaks (8.07, 3.85, 59.58 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 13 + HA LYS 12 OK 100 100 100 100 3.5-3.5 3.6=96, 6163/2.9=56...(15) H ILE 15 + HA LYS 12 OK 98 100 100 98 3.4-3.6 6206=78, 4.0/644=40...(13) H GLU 17 - HA LYS 12 far 0 98 0 - 6.1-6.8 H SER 102 - HA LYS 94 far 0 62 0 - 8.2-13.7 H LYS 90 - HA LYS 94 far 0 47 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 391 from cnoeabs.peaks (8.07, 3.85, 59.58 ppm; 3.52 A): 2 out of 5 assignments used, quality = 1.00: H LYS 13 + HA LYS 12 OK 100 100 100 100 3.5-3.5 3.6=96, 6163/2.9=56...(15) * H ILE 15 + HA LYS 12 OK 98 100 100 98 3.4-3.6 6206=78, 4.0/644=40...(13) H GLU 17 - HA LYS 12 far 0 99 0 - 6.1-6.8 H SER 102 - HA LYS 94 far 0 63 0 - 8.2-13.7 H LYS 90 - HA LYS 94 far 0 49 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 392 from cnoeabs.peaks (1.73, 3.85, 59.58 ppm; 3.10 A): 4 out of 15 assignments used, quality = 1.00: * HB ILE 15 + HA LYS 12 OK 97 100 100 97 2.1-2.6 644=63, 2.1/10121=39...(20) HD2 LYS 12 + HA LYS 12 OK 77 79 100 98 2.7-3.1 3.0/384=45, 3.0/460=24...(46) HD3 LYS 12 + HA LYS 12 OK 77 79 100 98 3.4-4.5 3.0/384=45, 3.0/460=24...(44) HG12 ILE 15 + HA LYS 12 OK 59 65 95 95 4.3-4.7 2.1/8446=52, 2.9/644=41...(21) HD2 LYS 24 - HA LYS 94 far 0 41 0 - 5.9-9.8 HD2 LYS 13 - HA LYS 12 far 0 79 0 - 6.0-7.2 HD3 LYS 13 - HA LYS 12 far 0 82 0 - 6.1-7.2 HD3 LYS 24 - HA LYS 94 far 0 42 0 - 6.3-10.5 HG3 ARG 19 - HA LYS 12 far 0 75 0 - 6.7-10.3 HD2 LYS 33 - HA LYS 12 far 0 100 0 - 8.4-9.6 HD3 LYS 33 - HA LYS 12 far 0 100 0 - 8.5-10.4 HD2 LYS 90 - HA LYS 94 far 0 66 0 - 8.5-11.1 HD3 LYS 90 - HA LYS 94 far 0 42 0 - 8.7-10.8 HG2 PRO 86 - HA LYS 12 far 0 63 0 - 9.4-10.3 HD2 LYS 90 - HA LYS 12 far 0 99 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 393 from cnoeabs.peaks (8.56, 1.86, 32.38 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: H LYS 12 + HB3 LYS 12 OK 98 100 100 98 2.1-2.8 4.0=58, 6155/3.0=45...(18) * H LYS 12 + HB2 LYS 12 OK 98 100 100 98 3.0-3.6 4.0=58, 6155/3.0=45...(15) H VAL 58 - HB2 LYS 68 far 0 48 0 - 7.6-10.5 H VAL 58 - HB3 LYS 68 far 0 78 0 - 8.1-9.4 H ASP 61 - HB3 LYS 68 far 0 83 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 394 from cnoeabs.peaks (3.85, 1.86, 32.38 ppm; 3.15 A): 3 out of 15 assignments used, quality = 1.00: * HA LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.2-2.4 3.0=100 HA LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.8-3.0 3.0=100 HA LYS 40 + HB3 LYS 39 OK 37 89 45 93 4.1-5.4 2.9/6621=46, ~6620=25...(31) HA ALA 71 - HB3 LYS 39 far 0 89 0 - 5.1-6.9 HA ALA 67 - HB3 LYS 68 far 0 90 0 - 5.5-5.8 HA GLU 43 - HB3 LYS 39 far 0 68 0 - 5.7-7.2 HA ALA 67 - HB2 LYS 68 far 0 57 0 - 5.8-6.3 HA GLU 35 - HB3 LYS 39 far 0 62 0 - 5.8-7.5 HA ALA 67 - HB3 LYS 39 far 0 92 0 - 5.8-8.5 HA LEU 38 - HB3 LYS 39 far 0 81 0 - 6.3-6.6 HA ALA 71 - HB2 LYS 68 far 0 55 0 - 7.6-8.4 HA ALA 22 - HB2 LYS 20 far 0 44 0 - 7.7-8.7 HA ALA 71 - HB3 LYS 68 far 0 87 0 - 8.1-8.8 HA GLU 35 - HB3 LYS 68 far 0 60 0 - 9.1-9.8 HA LEU 38 - HB3 LYS 68 far 0 79 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 395 from cnoeabs.peaks (1.86, 1.86, 32.38 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 HB3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 92 92 - 100 HB3 LYS 68 + HB3 LYS 68 OK 88 88 - 100 HB2 LYS 20 + HB2 LYS 20 OK 48 48 - 100 HB2 LYS 68 + HB2 LYS 68 OK 42 42 - 100 Peak 396 from cnoeabs.peaks (1.87, 1.86, 32.38 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 HB3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 91 91 - 100 HB3 LYS 68 + HB3 LYS 68 OK 89 89 - 100 HB2 LYS 20 + HB2 LYS 20 OK 50 50 - 100 HB2 LYS 68 + HB2 LYS 68 OK 40 40 - 100 Reference assignment not found: HB3 LYS 12 - HB2 LYS 12 Peak 397 from cnoeabs.peaks (1.45, 1.86, 32.38 ppm; 3.16 A): 5 out of 29 assignments used, quality = 1.00: * HG2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.3-2.8 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 91 91 100 100 2.3-3.0 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 59 59 100 100 2.5-2.9 3.0=100 HG LEU 64 + HB3 LYS 68 OK 36 55 100 66 3.0-4.2 ~12320=18, ~10242=11...(18) HG LEU 64 - HB2 LYS 68 poor 15 32 75 62 3.0-5.0 ~12320=18, ~10242=11...(14) HG2 LYS 13 - HB3 LYS 12 far 10 96 10 - 4.6-5.5 QB ALA 71 - HB2 LYS 68 poor 6 32 20 - 4.5-5.4 HG LEU 38 - HB3 LYS 39 far 0 86 0 - 4.7-8.0 QB ALA 71 - HB3 LYS 68 far 0 55 0 - 5.1-5.8 HB2 LEU 38 - HB3 LYS 39 far 0 89 0 - 5.4-6.4 HG2 LYS 13 - HB2 LYS 12 far 0 96 0 - 5.7-6.3 QB ALA 71 - HB3 LYS 39 far 0 56 0 - 5.7-7.5 QB ALA 22 - HB2 LYS 20 far 0 61 0 - 6.3-7.3 HD3 LYS 40 - HB3 LYS 39 far 0 80 0 - 6.5-8.9 HG LEU 38 - HB3 LYS 68 far 0 84 0 - 6.8-9.9 HD2 LYS 40 - HB3 LYS 39 far 0 81 0 - 6.9-8.6 HD2 LYS 82 - HB2 LYS 68 far 0 53 0 - 7.3-11.7 HG LEU 38 - HB2 LYS 68 far 0 53 0 - 7.5-10.3 HG LEU 29 - HB2 LYS 20 far 0 61 0 - 7.6-10.2 HG13 ILE 76 - HB3 LYS 39 far 0 89 0 - 7.7-9.4 HD2 LYS 82 - HB3 LYS 68 far 0 84 0 - 7.7-11.1 HB2 LEU 38 - HB2 LYS 68 far 0 55 0 - 8.0-10.5 HB2 LEU 38 - HB3 LYS 68 far 0 87 0 - 8.1-9.7 HG12 ILE 7 - HB2 LYS 12 far 0 91 0 - 9.0-11.1 HG2 LYS 20 - HB2 LYS 12 far 0 98 0 - 9.5-11.8 HG12 ILE 7 - HB3 LYS 12 far 0 91 0 - 9.6-11.5 HB2 LEU 27 - HB2 LYS 20 far 0 59 0 - 9.8-10.8 HG3 LYS 39 - HB3 LYS 68 far 0 89 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 398 from cnoeabs.peaks (1.59, 1.86, 32.38 ppm; 3.08 A): 2 out of 25 assignments used, quality = 1.00: * HG3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.2-2.6 3.0=100 HG2 ARG 19 - HB2 LYS 20 far 6 61 10 - 4.0-7.5 HB2 ARG 79 - HB2 LYS 68 far 0 57 0 - 5.6-11.0 HG3 LYS 73 - HB3 LYS 39 far 0 91 0 - 6.1-9.1 HG LEU 103 - HB2 LYS 68 far 0 54 0 - 6.3-21.5 HG2 LYS 24 - HB2 LYS 20 far 0 62 0 - 6.7-8.7 HG3 LYS 90 - HB2 LYS 20 far 0 61 0 - 7.1-10.1 HB2 ARG 79 - HB3 LYS 68 far 0 89 0 - 7.2-10.6 HG2 ARG 19 - HB2 LYS 12 far 0 99 0 - 7.3-10.4 HB3 LEU 29 - HB2 LYS 20 far 0 63 0 - 7.5-9.4 HD2 LYS 66 - HB3 LYS 68 far 0 88 0 - 7.9-8.9 HG LEU 103 - HB3 LYS 68 far 0 86 0 - 8.0-23.2 HB2 LEU 103 - HB2 LYS 68 far 0 55 0 - 8.2-19.5 HG3 LYS 73 - HB2 LYS 68 far 0 57 0 - 8.2-11.4 HG3 LYS 73 - HB3 LYS 68 far 0 89 0 - 8.5-11.0 HG2 ARG 19 - HB3 LYS 12 far 0 99 0 - 8.7-11.9 HD2 LYS 66 - HB2 LYS 68 far 0 56 0 - 8.9-10.5 HD2 LYS 94 - HB2 LYS 20 far 0 42 0 - 9.0-12.1 HD3 LYS 82 - HB2 LYS 68 far 0 40 0 - 9.0-11.5 HD2 LYS 66 - HB3 LYS 39 far 0 90 0 - 9.2-13.8 HG3 LYS 47 - HB3 LYS 39 far 0 68 0 - 9.2-14.1 HD3 LYS 94 - HB2 LYS 20 far 0 63 0 - 9.2-12.2 HD3 LYS 82 - HB3 LYS 68 far 0 67 0 - 9.3-10.8 HB2 LEU 103 - HB3 LYS 68 far 0 87 0 - 9.9-21.1 Violated in 0 structures by 0.00 A. Peak 399 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 3.03 A): 9 out of 51 assignments used, quality = 1.00: * HD2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.0-2.9 3.6=61, 387/3.0=14...(90) HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.6 3.6=61, 386/3.0=13...(88) HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.4-3.9 3.6=61, 386/3.0=14...(89) HD3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.2-4.2 3.6=61, 387/3.0=13...(88) HB ILE 15 + HB2 LYS 12 OK 65 79 100 83 4.0-4.4 644/3.0=28, ~10121=17...(22) HB3 LEU 70 + HB3 LYS 39 OK 49 85 90 64 2.0-4.6 ~10822=12, ~1670=9...(18) HD2 LYS 20 + HB2 LYS 20 OK 49 50 100 98 2.4-3.6 3.5=63, ~848=10...(80) HG3 LYS 20 + HB2 LYS 20 OK 46 46 100 100 2.8-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 45 46 100 98 2.5-3.7 3.5=63, ~848=10...(80) HD2 LYS 13 - HB3 LYS 12 far 5 100 5 - 4.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 92 0 - 4.6-7.3 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 4.9-5.3 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.2-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 60 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 5.9-6.8 HG LEU 70 - HB3 LYS 68 far 0 90 0 - 6.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.0-8.4 HD3 LYS 24 - HB2 LYS 20 far 0 63 0 - 6.1-10.0 HD2 LYS 24 - HB2 LYS 20 far 0 63 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.1 HG LEU 70 - HB2 LYS 68 far 0 57 0 - 6.5-7.9 HD3 LYS 66 - HB3 LYS 68 far 0 90 0 - 6.6-7.6 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.7-8.4 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 7.0-7.6 HD2 LYS 90 - HB2 LYS 20 far 0 31 0 - 7.3-10.6 HD2 ARG 81 - HB2 LYS 68 far 0 43 0 - 7.3-10.9 HD3 LYS 66 - HB2 LYS 68 far 0 57 0 - 7.5-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 71 0 - 8.1-10.3 HD3 LYS 90 - HB2 LYS 20 far 0 63 0 - 8.3-10.9 HD3 LYS 66 - HB3 LYS 39 far 0 92 0 - 8.3-12.4 HB3 LEU 70 - HB3 LYS 68 far 0 83 0 - 8.3-8.8 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.6-12.2 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 8.7-10.9 HB3 LEU 70 - HB2 LYS 68 far 0 52 0 - 8.7-9.3 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-13.0 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.0-11.3 HD3 LYS 47 - HB3 LYS 39 far 0 81 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 80 0 - 9.2-14.3 HD3 LYS 73 - HB3 LYS 68 far 0 55 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.3-12.8 HD2 LYS 73 - HB2 LYS 68 far 0 34 0 - 9.4-12.1 HD3 LYS 12 - HB2 LYS 20 far 0 63 0 - 9.5-15.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 58 0 - 9.5-11.6 HD2 LYS 12 - HB2 LYS 20 far 0 63 0 - 9.6-13.5 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.7-11.8 HB ILE 15 - HB2 LYS 20 far 0 43 0 - 9.7-10.8 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 9.8-13.3 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 400 from cnoeabs.peaks (1.70, 1.86, 32.38 ppm; 3.03 A): 9 out of 51 assignments used, quality = 1.00: HD2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.0-2.9 3.6=61, 387/3.0=14...(90) * HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.6 3.6=61, 386/3.0=13...(88) HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.4-3.9 3.6=61, 386/3.0=14...(89) HD3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.2-4.2 3.6=61, 387/3.0=13...(88) HB ILE 15 + HB2 LYS 12 OK 65 79 100 83 4.0-4.4 644/3.0=28, ~10121=17...(22) HB3 LEU 70 + HB3 LYS 39 OK 49 85 90 64 2.0-4.6 ~10822=12, ~1670=9...(18) HD2 LYS 20 + HB2 LYS 20 OK 49 50 100 98 2.4-3.6 3.5=63, ~848=10...(80) HG3 LYS 20 + HB2 LYS 20 OK 46 46 100 100 2.8-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 45 46 100 98 2.5-3.7 3.5=63, ~848=10...(80) HD2 LYS 13 - HB3 LYS 12 far 5 100 5 - 4.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 92 0 - 4.6-7.3 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 4.9-5.3 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.2-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 60 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 5.9-6.8 HG LEU 70 - HB3 LYS 68 far 0 90 0 - 6.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.0-8.4 HD3 LYS 24 - HB2 LYS 20 far 0 63 0 - 6.1-10.0 HD2 LYS 24 - HB2 LYS 20 far 0 63 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.1 HG LEU 70 - HB2 LYS 68 far 0 57 0 - 6.5-7.9 HD3 LYS 66 - HB3 LYS 68 far 0 90 0 - 6.6-7.6 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.7-8.4 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 7.0-7.6 HD2 LYS 90 - HB2 LYS 20 far 0 31 0 - 7.3-10.6 HD2 ARG 81 - HB2 LYS 68 far 0 43 0 - 7.3-10.9 HD3 LYS 66 - HB2 LYS 68 far 0 57 0 - 7.5-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 71 0 - 8.1-10.3 HD3 LYS 90 - HB2 LYS 20 far 0 63 0 - 8.3-10.9 HD3 LYS 66 - HB3 LYS 39 far 0 92 0 - 8.3-12.4 HB3 LEU 70 - HB3 LYS 68 far 0 83 0 - 8.3-8.8 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.6-12.2 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 8.7-10.9 HB3 LEU 70 - HB2 LYS 68 far 0 52 0 - 8.7-9.3 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-13.0 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.0-11.3 HD3 LYS 47 - HB3 LYS 39 far 0 81 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 80 0 - 9.2-14.3 HD3 LYS 73 - HB3 LYS 68 far 0 55 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.3-12.8 HD2 LYS 73 - HB2 LYS 68 far 0 34 0 - 9.4-12.1 HD3 LYS 12 - HB2 LYS 20 far 0 63 0 - 9.5-15.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 58 0 - 9.5-11.6 HD2 LYS 12 - HB2 LYS 20 far 0 63 0 - 9.6-13.5 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.7-11.8 HB ILE 15 - HB2 LYS 20 far 0 43 0 - 9.7-10.8 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 9.8-13.3 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 401 from cnoeabs.peaks (3.01, 1.86, 32.38 ppm; 4.81 A): 3 out of 11 assignments used, quality = 1.00: * HE2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.0-4.6 4.8=100 HE2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.8-5.4 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 80 97 100 82 5.8-6.1 4.5/6153=35, ~11008=30...(7) HB3 ASP 11 - HB2 LYS 12 far 0 98 0 - 6.6-6.8 HE2 LYS 33 - HB2 LYS 12 far 0 98 0 - 7.4-10.8 HB2 SER 9 - HB3 LYS 12 far 0 95 0 - 7.8-10.2 HB2 SER 9 - HB2 LYS 12 far 0 96 0 - 7.8-10.3 HE2 LYS 33 - HB3 LYS 12 far 0 97 0 - 8.2-12.0 HE3 LYS 33 - HB2 LYS 12 far 0 98 0 - 8.6-12.1 HB2 PHE 45 - HB3 LYS 39 far 0 75 0 - 9.3-12.0 HE3 LYS 33 - HB3 LYS 12 far 0 97 0 - 9.4-13.3 Violated in 0 structures by 0.00 A. Peak 402 from cnoeabs.peaks (2.96, 1.86, 32.38 ppm; 4.92 A): 3 out of 23 assignments used, quality = 1.00: * HE3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-4.4 4.8=100 HE3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.3-5.1 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 63 79 100 80 5.8-6.1 4.5/6153=36, ~11008=31...(7) HE2 LYS 73 - HB3 LYS 39 far 9 86 10 - 4.8-10.0 HE3 LYS 73 - HB3 LYS 39 far 8 81 10 - 5.3-9.9 HG2 MET 21 - HB2 LYS 20 far 2 48 5 - 5.8-8.4 HB3 ASP 11 - HB2 LYS 12 far 0 79 0 - 6.6-6.8 HE3 LYS 13 - HB3 LYS 12 far 0 100 0 - 6.7-7.8 HE2 LYS 24 - HB2 LYS 20 far 0 63 0 - 6.9-10.5 HB2 ASN 10 - HB3 LYS 12 far 0 63 0 - 7.0-8.8 HE2 LYS 13 - HB3 LYS 12 far 0 100 0 - 7.2-9.0 HB2 SER 9 - HB3 LYS 12 far 0 84 0 - 7.8-10.2 HB2 SER 9 - HB2 LYS 12 far 0 84 0 - 7.8-10.3 HE3 LYS 90 - HB2 LYS 20 far 0 43 0 - 7.9-10.8 HE3 LYS 24 - HB2 LYS 20 far 0 63 0 - 7.9-9.9 HB2 ASN 10 - HB2 LYS 12 far 0 63 0 - 8.0-9.4 HE3 LYS 13 - HB2 LYS 12 far 0 100 0 - 8.2-9.1 HE2 LYS 13 - HB2 LYS 12 far 0 100 0 - 8.7-10.1 HE3 LYS 73 - HB2 LYS 68 far 0 49 0 - 8.8-12.2 HB3 PHE 45 - HB3 LYS 39 far 0 92 0 - 9.1-11.9 HB2 PHE 45 - HB3 LYS 39 far 0 82 0 - 9.3-12.0 HE3 LYS 73 - HB3 LYS 68 far 0 79 0 - 9.3-11.7 HE2 LYS 73 - HB3 LYS 68 far 0 84 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 403 from cnoeabs.peaks (8.07, 1.86, 32.38 ppm; 3.32 A): 3 out of 10 assignments used, quality = 1.00: H LYS 13 + HB3 LYS 12 OK 95 100 100 95 2.7-3.4 6166=50, 6165/1.8=39...(15) * H LYS 13 + HB2 LYS 12 OK 94 100 100 94 3.8-4.3 6165=50, 6166/1.8=40...(13) H LYS 39 + HB3 LYS 39 OK 89 90 100 99 3.2-3.6 6604/1.8=71, 6605=70...(21) H ILE 15 - HB2 LYS 12 far 0 100 0 - 5.3-5.8 H ILE 15 - HB3 LYS 12 far 0 100 0 - 5.6-6.0 H GLU 17 - HB2 LYS 20 far 0 59 0 - 6.0-6.9 H GLU 17 - HB2 LYS 12 far 0 98 0 - 6.4-8.1 H GLU 17 - HB3 LYS 12 far 0 98 0 - 6.9-8.6 H GLU 75 - HB3 LYS 39 far 0 92 0 - 7.3-9.0 H LYS 90 - HB2 LYS 20 far 0 43 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 404 from cnoeabs.peaks (8.56, 1.87, 32.38 ppm; 3.31 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 12 + HB3 LYS 12 OK 98 100 100 98 2.1-2.8 4.0=58, 6155/3.0=45...(18) H LYS 12 + HB2 LYS 12 OK 98 100 100 98 3.0-3.6 4.0=58, 6155/3.0=45...(15) H VAL 58 - HB2 LYS 68 far 0 44 0 - 7.6-10.5 H VAL 58 - HB3 LYS 68 far 0 79 0 - 8.1-9.4 H ASP 61 - HB3 LYS 68 far 0 84 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 405 from cnoeabs.peaks (3.85, 1.87, 32.38 ppm; 3.15 A): 3 out of 15 assignments used, quality = 1.00: * HA LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.8-3.0 3.0=100 HA LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.2-2.4 3.0=100 HA LYS 40 + HB3 LYS 39 OK 37 88 45 93 4.1-5.4 2.9/6621=46, ~6620=25...(32) HA ALA 71 - HB3 LYS 39 far 0 89 0 - 5.1-6.9 HA ALA 67 - HB3 LYS 68 far 0 91 0 - 5.5-5.8 HA GLU 43 - HB3 LYS 39 far 0 68 0 - 5.7-7.2 HA ALA 67 - HB2 LYS 68 far 0 53 0 - 5.8-6.3 HA GLU 35 - HB3 LYS 39 far 0 61 0 - 5.8-7.5 HA ALA 67 - HB3 LYS 39 far 0 91 0 - 5.8-8.5 HA LEU 38 - HB3 LYS 39 far 0 80 0 - 6.3-6.6 HA ALA 71 - HB2 LYS 68 far 0 51 0 - 7.6-8.4 HA ALA 22 - HB2 LYS 20 far 0 48 0 - 7.7-8.7 HA ALA 71 - HB3 LYS 68 far 0 89 0 - 8.1-8.8 HA GLU 35 - HB3 LYS 68 far 0 61 0 - 9.1-9.8 HA LEU 38 - HB3 LYS 68 far 0 80 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 406 from cnoeabs.peaks (1.86, 1.87, 32.38 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 HB2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 91 91 - 100 HB3 LYS 68 + HB3 LYS 68 OK 90 90 - 100 HB2 LYS 20 + HB2 LYS 20 OK 52 52 - 100 HB2 LYS 68 + HB2 LYS 68 OK 38 38 - 100 Reference assignment not found: HB2 LYS 12 - HB3 LYS 12 Peak 407 from cnoeabs.peaks (1.87, 1.87, 32.38 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 12 + HB3 LYS 12 OK 100 100 - 100 HB2 LYS 12 + HB2 LYS 12 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 91 91 - 100 HB3 LYS 68 + HB3 LYS 68 OK 90 90 - 100 HB2 LYS 20 + HB2 LYS 20 OK 54 54 - 100 HB2 LYS 68 + HB2 LYS 68 OK 36 36 - 100 Peak 408 from cnoeabs.peaks (1.45, 1.87, 32.38 ppm; 3.16 A): 5 out of 29 assignments used, quality = 1.00: * HG2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.3-2.8 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 91 91 100 100 2.3-3.0 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 64 64 100 100 2.5-2.9 3.0=100 HG LEU 64 + HB3 LYS 68 OK 37 56 100 66 3.0-4.2 ~12320=18, ~10242=11...(18) HG LEU 64 - HB2 LYS 68 poor 13 29 75 62 3.0-5.0 ~12320=18, ~10242=11...(14) HG2 LYS 13 - HB3 LYS 12 far 10 96 10 - 4.6-5.5 QB ALA 71 - HB2 LYS 68 poor 6 29 20 - 4.5-5.4 HG LEU 38 - HB3 LYS 39 far 0 85 0 - 4.7-8.0 QB ALA 71 - HB3 LYS 68 far 0 56 0 - 5.1-5.8 HB2 LEU 38 - HB3 LYS 39 far 0 88 0 - 5.4-6.4 HG2 LYS 13 - HB2 LYS 12 far 0 96 0 - 5.7-6.3 QB ALA 71 - HB3 LYS 39 far 0 56 0 - 5.7-7.5 QB ALA 22 - HB2 LYS 20 far 0 65 0 - 6.3-7.3 HD3 LYS 40 - HB3 LYS 39 far 0 79 0 - 6.5-8.9 HG LEU 38 - HB3 LYS 68 far 0 85 0 - 6.8-9.9 HD2 LYS 40 - HB3 LYS 39 far 0 80 0 - 6.9-8.6 HD2 LYS 82 - HB2 LYS 68 far 0 48 0 - 7.3-11.7 HG LEU 38 - HB2 LYS 68 far 0 48 0 - 7.5-10.3 HG LEU 29 - HB2 LYS 20 far 0 65 0 - 7.6-10.2 HG13 ILE 76 - HB3 LYS 39 far 0 89 0 - 7.7-9.4 HD2 LYS 82 - HB3 LYS 68 far 0 85 0 - 7.7-11.1 HB2 LEU 38 - HB2 LYS 68 far 0 50 0 - 8.0-10.5 HB2 LEU 38 - HB3 LYS 68 far 0 88 0 - 8.1-9.7 HG12 ILE 7 - HB2 LYS 12 far 0 91 0 - 9.0-11.1 HG2 LYS 20 - HB2 LYS 12 far 0 98 0 - 9.5-11.8 HG12 ILE 7 - HB3 LYS 12 far 0 91 0 - 9.6-11.5 HB2 LEU 27 - HB2 LYS 20 far 0 64 0 - 9.8-10.8 HG3 LYS 39 - HB3 LYS 68 far 0 91 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 409 from cnoeabs.peaks (1.59, 1.87, 32.38 ppm; 3.08 A): 2 out of 25 assignments used, quality = 1.00: * HG3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.2-2.6 3.0=100 HG3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 ARG 19 - HB2 LYS 20 far 7 66 10 - 4.0-7.5 HB2 ARG 79 - HB2 LYS 68 far 0 52 0 - 5.6-11.0 HG3 LYS 73 - HB3 LYS 39 far 0 91 0 - 6.1-9.1 HG LEU 103 - HB2 LYS 68 far 0 49 0 - 6.3-21.5 HG2 LYS 24 - HB2 LYS 20 far 0 66 0 - 6.7-8.7 HG3 LYS 90 - HB2 LYS 20 far 0 65 0 - 7.1-10.1 HB2 ARG 79 - HB3 LYS 68 far 0 90 0 - 7.2-10.6 HG2 ARG 19 - HB2 LYS 12 far 0 99 0 - 7.3-10.4 HB3 LEU 29 - HB2 LYS 20 far 0 68 0 - 7.5-9.4 HD2 LYS 66 - HB3 LYS 68 far 0 90 0 - 7.9-8.9 HG LEU 103 - HB3 LYS 68 far 0 87 0 - 8.0-23.2 HB2 LEU 103 - HB2 LYS 68 far 0 51 0 - 8.2-19.5 HG3 LYS 73 - HB2 LYS 68 far 0 52 0 - 8.2-11.4 HG3 LYS 73 - HB3 LYS 68 far 0 91 0 - 8.5-11.0 HG2 ARG 19 - HB3 LYS 12 far 0 99 0 - 8.7-11.9 HD2 LYS 66 - HB2 LYS 68 far 0 51 0 - 8.9-10.5 HD2 LYS 94 - HB2 LYS 20 far 0 45 0 - 9.0-12.1 HD3 LYS 82 - HB2 LYS 68 far 0 36 0 - 9.0-11.5 HD2 LYS 66 - HB3 LYS 39 far 0 90 0 - 9.2-13.8 HG3 LYS 47 - HB3 LYS 39 far 0 68 0 - 9.2-14.1 HD3 LYS 94 - HB2 LYS 20 far 0 68 0 - 9.2-12.2 HD3 LYS 82 - HB3 LYS 68 far 0 68 0 - 9.3-10.8 HB2 LEU 103 - HB3 LYS 68 far 0 89 0 - 9.9-21.1 Violated in 0 structures by 0.00 A. Peak 410 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 3.03 A): 9 out of 51 assignments used, quality = 1.00: * HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.4-3.9 3.6=61, 386/3.0=14...(89) HD2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.0-2.9 3.6=61, 387/3.0=14...(90) HD3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.2-4.2 3.6=61, 387/3.0=13...(88) HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.6 3.6=61, 386/3.0=13...(88) HB ILE 15 + HB2 LYS 12 OK 65 79 100 83 4.0-4.4 644/3.0=28, ~10121=17...(22) HD2 LYS 20 + HB2 LYS 20 OK 53 54 100 98 2.4-3.6 3.5=63, ~848=10...(80) HG3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 2.8-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 49 50 100 98 2.5-3.7 3.5=63, ~848=10...(80) HB3 LEU 70 + HB3 LYS 39 OK 49 85 90 65 2.0-4.6 ~10822=12, ~1670=9...(18) HD2 LYS 13 - HB3 LYS 12 far 5 100 5 - 4.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 91 0 - 4.6-7.3 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 4.9-5.3 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.2-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 59 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 5.9-6.8 HG LEU 70 - HB3 LYS 68 far 0 91 0 - 6.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.0-8.4 HD3 LYS 24 - HB2 LYS 20 far 0 68 0 - 6.1-10.0 HD2 LYS 24 - HB2 LYS 20 far 0 67 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.1 HG LEU 70 - HB2 LYS 68 far 0 53 0 - 6.5-7.9 HD3 LYS 66 - HB3 LYS 68 far 0 91 0 - 6.6-7.6 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.7-8.4 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 7.0-7.6 HD2 LYS 90 - HB2 LYS 20 far 0 33 0 - 7.3-10.6 HD2 ARG 81 - HB2 LYS 68 far 0 39 0 - 7.3-10.9 HD3 LYS 66 - HB2 LYS 68 far 0 53 0 - 7.5-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 72 0 - 8.1-10.3 HD3 LYS 90 - HB2 LYS 20 far 0 68 0 - 8.3-10.9 HD3 LYS 66 - HB3 LYS 39 far 0 91 0 - 8.3-12.4 HB3 LEU 70 - HB3 LYS 68 far 0 84 0 - 8.3-8.8 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.6-12.2 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 8.7-10.9 HB3 LEU 70 - HB2 LYS 68 far 0 47 0 - 8.7-9.3 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-13.0 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.0-11.3 HD3 LYS 47 - HB3 LYS 39 far 0 80 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 79 0 - 9.2-14.3 HD3 LYS 73 - HB3 LYS 68 far 0 56 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.3-12.8 HD2 LYS 73 - HB2 LYS 68 far 0 31 0 - 9.4-12.1 HD3 LYS 12 - HB2 LYS 20 far 0 68 0 - 9.5-15.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 59 0 - 9.5-11.6 HD2 LYS 12 - HB2 LYS 20 far 0 68 0 - 9.6-13.5 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.7-11.8 HB ILE 15 - HB2 LYS 20 far 0 47 0 - 9.7-10.8 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 9.8-13.3 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 411 from cnoeabs.peaks (1.70, 1.87, 32.38 ppm; 3.03 A): 9 out of 51 assignments used, quality = 1.00: HD2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.4-3.9 3.6=61, 386/3.0=14...(89) HD2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.0-2.9 3.6=61, 387/3.0=14...(90) * HD3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.2-4.2 3.6=61, 387/3.0=13...(88) HD3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-3.6 3.6=61, 386/3.0=13...(88) HB ILE 15 + HB2 LYS 12 OK 65 79 100 83 4.0-4.4 644/3.0=28, ~10121=17...(22) HD2 LYS 20 + HB2 LYS 20 OK 53 54 100 98 2.4-3.6 3.5=63, ~848=10...(80) HG3 LYS 20 + HB2 LYS 20 OK 50 50 100 100 2.8-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 49 50 100 98 2.5-3.7 3.5=63, ~848=10...(80) HB3 LEU 70 + HB3 LYS 39 OK 49 85 90 65 2.0-4.6 ~10822=12, ~1670=9...(18) HD2 LYS 13 - HB3 LYS 12 far 5 100 5 - 4.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 91 0 - 4.6-7.3 HB ILE 15 - HB3 LYS 12 far 0 79 0 - 4.9-5.3 HD3 LYS 13 - HB3 LYS 12 far 0 100 0 - 5.2-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 59 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 83 0 - 5.9-6.8 HG LEU 70 - HB3 LYS 68 far 0 91 0 - 6.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.0-8.4 HD3 LYS 24 - HB2 LYS 20 far 0 68 0 - 6.1-10.0 HD2 LYS 24 - HB2 LYS 20 far 0 67 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 100 0 - 6.4-7.1 HG LEU 70 - HB2 LYS 68 far 0 53 0 - 6.5-7.9 HD3 LYS 66 - HB3 LYS 68 far 0 91 0 - 6.6-7.6 HD3 LYS 13 - HB2 LYS 12 far 0 100 0 - 6.7-8.4 HG12 ILE 15 - HB3 LYS 12 far 0 100 0 - 7.0-7.6 HD2 LYS 90 - HB2 LYS 20 far 0 33 0 - 7.3-10.6 HD2 ARG 81 - HB2 LYS 68 far 0 39 0 - 7.3-10.9 HD3 LYS 66 - HB2 LYS 68 far 0 53 0 - 7.5-9.2 HD2 ARG 81 - HB3 LYS 68 far 0 72 0 - 8.1-10.3 HD3 LYS 90 - HB2 LYS 20 far 0 68 0 - 8.3-10.9 HD3 LYS 66 - HB3 LYS 39 far 0 91 0 - 8.3-12.4 HB3 LEU 70 - HB3 LYS 68 far 0 84 0 - 8.3-8.8 HD2 LYS 20 - HB2 LYS 12 far 0 88 0 - 8.6-12.2 HD2 LYS 33 - HB2 LYS 12 far 0 87 0 - 8.7-10.9 HB3 LEU 70 - HB2 LYS 68 far 0 47 0 - 8.7-9.3 HD3 LYS 20 - HB2 LYS 12 far 0 84 0 - 8.7-13.0 HD3 LYS 33 - HB2 LYS 12 far 0 87 0 - 9.0-11.3 HD3 LYS 47 - HB3 LYS 39 far 0 80 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 79 0 - 9.2-14.3 HD3 LYS 73 - HB3 LYS 68 far 0 56 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 99 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 88 0 - 9.3-12.8 HD2 LYS 73 - HB2 LYS 68 far 0 31 0 - 9.4-12.1 HD3 LYS 12 - HB2 LYS 20 far 0 68 0 - 9.5-15.0 HD3 LYS 20 - HB3 LYS 12 far 0 84 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 59 0 - 9.5-11.6 HD2 LYS 12 - HB2 LYS 20 far 0 68 0 - 9.6-13.5 HD2 LYS 33 - HB3 LYS 12 far 0 87 0 - 9.7-11.8 HB ILE 15 - HB2 LYS 20 far 0 47 0 - 9.7-10.8 HG3 LYS 20 - HB2 LYS 12 far 0 84 0 - 9.8-13.3 HD3 LYS 33 - HB3 LYS 12 far 0 87 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 412 from cnoeabs.peaks (3.01, 1.87, 32.38 ppm; 4.81 A): 3 out of 11 assignments used, quality = 1.00: * HE2 LYS 12 + HB3 LYS 12 OK 100 100 100 100 2.8-5.4 4.8=100 HE2 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.0-4.6 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 80 98 100 82 5.8-6.1 4.5/6153=35, ~11008=30...(7) HB3 ASP 11 - HB2 LYS 12 far 0 97 0 - 6.6-6.8 HE2 LYS 33 - HB2 LYS 12 far 0 97 0 - 7.4-10.8 HB2 SER 9 - HB3 LYS 12 far 0 96 0 - 7.8-10.2 HB2 SER 9 - HB2 LYS 12 far 0 95 0 - 7.8-10.3 HE2 LYS 33 - HB3 LYS 12 far 0 98 0 - 8.2-12.0 HE3 LYS 33 - HB2 LYS 12 far 0 97 0 - 8.6-12.1 HB2 PHE 45 - HB3 LYS 39 far 0 74 0 - 9.3-12.0 HE3 LYS 33 - HB3 LYS 12 far 0 98 0 - 9.4-13.3 Violated in 0 structures by 0.00 A. Peak 413 from cnoeabs.peaks (2.96, 1.87, 32.38 ppm; 4.92 A): 3 out of 23 assignments used, quality = 1.00: * HE3 LYS 12 + HB3 LYS 12 OK 100 100 100 100 3.3-5.1 4.8=100 HE3 LYS 12 + HB2 LYS 12 OK 100 100 100 100 2.1-4.4 4.8=100 HB3 ASP 11 + HB3 LYS 12 OK 63 79 100 80 5.8-6.1 4.5/6153=36, ~11008=31...(7) HE2 LYS 73 - HB3 LYS 39 far 9 85 10 - 4.8-10.0 HE3 LYS 73 - HB3 LYS 39 far 8 80 10 - 5.3-9.9 HG2 MET 21 - HB2 LYS 20 far 3 52 5 - 5.8-8.4 HB3 ASP 11 - HB2 LYS 12 far 0 79 0 - 6.6-6.8 HE3 LYS 13 - HB3 LYS 12 far 0 100 0 - 6.7-7.8 HE2 LYS 24 - HB2 LYS 20 far 0 68 0 - 6.9-10.5 HB2 ASN 10 - HB3 LYS 12 far 0 63 0 - 7.0-8.8 HE2 LYS 13 - HB3 LYS 12 far 0 100 0 - 7.2-9.0 HB2 SER 9 - HB3 LYS 12 far 0 84 0 - 7.8-10.2 HB2 SER 9 - HB2 LYS 12 far 0 84 0 - 7.8-10.3 HE3 LYS 90 - HB2 LYS 20 far 0 47 0 - 7.9-10.8 HE3 LYS 24 - HB2 LYS 20 far 0 68 0 - 7.9-9.9 HB2 ASN 10 - HB2 LYS 12 far 0 63 0 - 8.0-9.4 HE3 LYS 13 - HB2 LYS 12 far 0 100 0 - 8.2-9.1 HE2 LYS 13 - HB2 LYS 12 far 0 100 0 - 8.7-10.1 HE3 LYS 73 - HB2 LYS 68 far 0 44 0 - 8.8-12.2 HB3 PHE 45 - HB3 LYS 39 far 0 91 0 - 9.1-11.9 HB2 PHE 45 - HB3 LYS 39 far 0 82 0 - 9.3-12.0 HE3 LYS 73 - HB3 LYS 68 far 0 80 0 - 9.3-11.7 HE2 LYS 73 - HB3 LYS 68 far 0 85 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 414 from cnoeabs.peaks (8.07, 1.87, 32.38 ppm; 3.32 A): 3 out of 10 assignments used, quality = 1.00: * H LYS 13 + HB3 LYS 12 OK 95 100 100 95 2.7-3.4 6166=50, 6165/1.8=39...(15) H LYS 13 + HB2 LYS 12 OK 94 100 100 94 3.8-4.3 6165=50, 6166/1.8=40...(13) H LYS 39 + HB3 LYS 39 OK 89 89 100 99 3.2-3.6 6604/1.8=71, 6605=70...(21) H ILE 15 - HB2 LYS 12 far 0 100 0 - 5.3-5.8 H ILE 15 - HB3 LYS 12 far 0 100 0 - 5.6-6.0 H GLU 17 - HB2 LYS 20 far 0 64 0 - 6.0-6.9 H GLU 17 - HB2 LYS 12 far 0 98 0 - 6.4-8.1 H GLU 17 - HB3 LYS 12 far 0 98 0 - 6.9-8.6 H GLU 75 - HB3 LYS 39 far 0 91 0 - 7.3-9.0 H LYS 90 - HB2 LYS 20 far 0 47 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 415 from cnoeabs.peaks (8.56, 1.45, 25.00 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 12 + HG2 LYS 12 OK 100 100 100 100 1.8-4.3 6155/1.8=87, 2.9/384=77...(21) H LYS 12 + HG2 LYS 13 OK 84 92 100 91 4.0-4.3 6163/4.8=47, 6154=45...(12) H ASN 51 - HG2 LYS 53 far 0 64 0 - 6.1-8.9 H GLN 50 - HG2 LYS 53 far 0 81 0 - 7.5-10.7 H ASN 51 - HG3 LYS 53 far 0 54 0 - 7.6-9.1 H GLN 50 - HG3 LYS 53 far 0 70 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 416 from cnoeabs.peaks (3.85, 1.45, 25.00 ppm; 3.89 A): 4 out of 17 assignments used, quality = 1.00: * HA LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.7-4.1 3.7=100 HA LYS 12 + HG2 LYS 13 OK 73 92 100 80 4.8-5.0 3.6/6167=25...(12) HA2 GLY 101 + HG3 LYS 53 OK 31 72 90 48 2.0-5.8 11028/3.0=8, ~10616=7...(16) HA2 GLY 101 + HG2 LYS 53 OK 26 83 65 49 3.5-7.1 ~10616=8, 11028/3.0=8...(16) HA3 GLY 101 - HG3 LYS 53 poor 18 39 95 47 2.6-5.7 ~11028=7, 12004/3.9=5...(16) HA2 GLY 100 - HG3 LYS 53 poor 16 72 90 25 2.6-6.7 11028/3.0=9...(5) HA3 GLY 101 - HG2 LYS 53 poor 14 47 65 47 2.0-6.4 ~11028=7, 12004/3.9=5...(16) HA2 GLY 100 - HG2 LYS 53 poor 11 83 55 25 4.2-7.4 11028/3.0=9...(5) HB2 SER 102 - HG3 LYS 53 far 0 38 0 - 5.5-10.8 HA SER 97 - HG3 LYS 53 far 0 39 0 - 5.5-7.4 HA SER 97 - HG2 LYS 53 far 0 47 0 - 6.0-8.8 HB2 SER 102 - HG2 LYS 53 far 0 45 0 - 6.1-11.8 HA ALA 22 - HG2 LYS 20 far 0 70 0 - 7.4-8.7 HB3 SER 49 - HG2 LYS 53 far 0 87 0 - 7.8-12.7 HB3 SER 49 - HG3 LYS 53 far 0 76 0 - 8.5-12.3 HA ARG 91 - HG2 LYS 20 far 0 61 0 - 9.1-12.2 HA LYS 12 - HG2 LYS 20 far 0 93 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 417 from cnoeabs.peaks (1.86, 1.45, 25.00 ppm; 2.90 A): 7 out of 20 assignments used, quality = 1.00: * HB2 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=95, 3.0/384=40...(60) HB3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.3-2.8 3.0=95, 3.0/384=40...(59) HB2 LYS 20 + HG2 LYS 20 OK 74 74 100 99 2.5-2.9 3.0=95, 3.0/848=27...(68) HB2 LYS 53 + HG2 LYS 53 OK 71 71 100 100 2.4-2.8 3.0=93, ~2451=21...(44) HB2 LYS 53 + HG3 LYS 53 OK 60 61 100 100 2.2-2.4 3.0=93, ~2451=21...(42) HB3 LEU 14 + HG2 LYS 13 OK 33 51 100 65 3.4-3.6 3.8/6191=18, 1.8/245=12...(26) HB2 ARG 19 + HG2 LYS 20 OK 21 70 75 40 3.5-5.1 4.1/882=18, 788/3.7=7...(8) HB3 LYS 90 - HG2 LYS 20 far 3 66 5 - 4.4-7.9 HB3 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.6-5.5 HB2 LYS 12 - HG2 LYS 13 far 0 92 0 - 5.7-6.3 HB VAL 54 - HG3 LYS 53 far 0 63 0 - 6.0-8.3 HB3 LEU 14 - HG2 LYS 12 far 0 61 0 - 6.8-8.6 HB VAL 54 - HG2 LYS 53 far 0 74 0 - 6.9-7.9 HB2 ARG 19 - HG2 LYS 12 far 0 81 0 - 8.8-12.0 HG2 ARG 46 - HG2 LYS 53 far 0 45 0 - 9.0-16.1 HB VAL 5 - HG2 LYS 20 far 0 92 0 - 9.0-10.2 HB2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.5-11.8 HB3 LEU 14 - HG2 LYS 20 far 0 52 0 - 9.7-10.6 HB2 ARG 19 - HG2 LYS 13 far 0 69 0 - 10.0-12.5 HB3 LYS 90 - HG2 LYS 13 far 0 65 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 418 from cnoeabs.peaks (1.87, 1.45, 25.00 ppm; 2.90 A): 7 out of 19 assignments used, quality = 1.00: * HB3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.3-2.8 3.0=95, 3.0/384=40...(59) HB2 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=95, 3.0/384=40...(60) HB2 LYS 20 + HG2 LYS 20 OK 77 77 100 99 2.5-2.9 3.0=95, 3.0/848=27...(68) HB2 LYS 53 + HG2 LYS 53 OK 68 68 100 100 2.4-2.8 3.0=93, ~2451=21...(44) HB2 LYS 53 + HG3 LYS 53 OK 58 58 100 100 2.2-2.4 3.0=93, ~2451=21...(42) HB3 LEU 14 + HG2 LYS 13 OK 36 55 100 66 3.4-3.6 3.8/6191=18, 1.8/245=12...(27) HB2 ARG 19 + HG2 LYS 20 OK 22 73 75 41 3.5-5.1 4.1/882=18, 788/3.7=8...(8) HB3 LYS 90 - HG2 LYS 20 far 3 63 5 - 4.4-7.9 HB3 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.6-5.5 HB2 LYS 12 - HG2 LYS 13 far 0 92 0 - 5.7-6.3 HB VAL 54 - HG3 LYS 53 far 0 65 0 - 6.0-8.3 HB3 LEU 14 - HG2 LYS 12 far 0 65 0 - 6.8-8.6 HB VAL 54 - HG2 LYS 53 far 0 76 0 - 6.9-7.9 HB2 ARG 19 - HG2 LYS 12 far 0 84 0 - 8.8-12.0 HB VAL 5 - HG2 LYS 20 far 0 92 0 - 9.0-10.2 HB2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.5-11.8 HB3 LEU 14 - HG2 LYS 20 far 0 56 0 - 9.7-10.6 HB2 ARG 19 - HG2 LYS 13 far 0 72 0 - 10.0-12.5 HB3 LYS 90 - HG2 LYS 13 far 0 62 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 419 from cnoeabs.peaks (1.45, 1.45, 25.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 12 + HG2 LYS 12 OK 100 100 - 100 HG2 LYS 20 + HG2 LYS 20 OK 89 89 - 100 HG2 LYS 13 + HG2 LYS 13 OK 85 85 - 100 HG2 LYS 53 + HG2 LYS 53 OK 77 77 - 100 HG3 LYS 53 + HG3 LYS 53 OK 61 61 - 100 Peak 420 from cnoeabs.peaks (1.59, 1.45, 25.00 ppm; 2.56 A): 1 out of 19 assignments used, quality = 1.00: * HG3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 19 - HG2 LYS 20 far 9 90 10 - 1.9-6.7 HG3 LYS 90 - HG2 LYS 20 far 0 90 0 - 4.6-8.8 HG3 LYS 12 - HG2 LYS 13 far 0 92 0 - 4.9-6.5 HB2 ARG 79 - HG3 LYS 53 far 0 75 0 - 6.1-9.5 HB3 LEU 29 - HG2 LYS 20 far 0 93 0 - 6.7-8.1 HB2 LEU 103 - HG3 LYS 53 far 0 73 0 - 6.9-13.0 HB2 LEU 103 - HG2 LYS 53 far 0 84 0 - 7.3-13.6 HB2 ARG 79 - HG2 LYS 53 far 0 86 0 - 7.5-10.4 HG2 LYS 24 - HG2 LYS 20 far 0 91 0 - 8.0-10.2 HG LEU 103 - HG3 LYS 53 far 0 72 0 - 8.4-12.2 HD2 LYS 94 - HG2 LYS 20 far 0 66 0 - 8.5-12.6 HG3 LYS 90 - HG2 LYS 13 far 0 89 0 - 8.7-12.3 HD3 LYS 94 - HG2 LYS 20 far 0 92 0 - 8.7-11.6 HG2 ARG 19 - HG2 LYS 12 far 0 99 0 - 9.3-12.1 HG LEU 27 - HG3 LYS 53 far 0 75 0 - 9.3-10.7 HG LEU 103 - HG2 LYS 53 far 0 83 0 - 9.6-13.2 HG2 ARG 19 - HG2 LYS 13 far 0 90 0 - 9.8-12.8 HG LEU 27 - HG2 LYS 53 far 0 86 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 421 from cnoeabs.peaks (1.70, 1.45, 25.00 ppm; 2.61 A): 9 out of 42 assignments used, quality = 1.00: * HD2 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=67, 3.0/463=27...(64) HD3 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=67, 3.0/463=27...(62) HD2 LYS 13 + HG2 LYS 13 OK 88 92 100 96 2.3-2.7 3.0=69, 487/3.9=11...(63) HD3 LYS 13 + HG2 LYS 13 OK 88 92 100 96 2.3-2.7 3.0=69, 487/3.9=10...(63) HB3 LYS 53 + HG2 LYS 53 OK 77 80 100 96 2.4-3.0 3.0=68, 2451/3.0=30...(29) HD2 LYS 20 + HG2 LYS 20 OK 74 77 100 96 2.4-2.6 2.8=77, 1.8/1729=10...(86) HG3 LYS 20 + HG2 LYS 20 OK 73 73 100 100 1.8-1.8 1.8=100 HD3 LYS 20 + HG2 LYS 20 OK 70 73 100 96 2.3-3.0 2.8=77, 1.8/1729=9...(82) HB3 LYS 53 + HG3 LYS 53 OK 66 69 100 96 2.4-3.0 3.0=68, 2451/3.0=30...(29) HB ILE 15 - HG2 LYS 12 far 0 79 0 - 4.6-5.9 HB2 LEU 2 - HG2 LYS 53 far 0 87 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 61 0 - 4.9-8.4 HD2 LYS 90 - HG2 LYS 20 far 0 50 0 - 4.9-9.2 HG2 PRO 86 - HG2 LYS 13 far 0 90 0 - 5.3-6.1 HD3 LYS 13 - HG2 LYS 12 far 0 100 0 - 5.3-8.4 HB ILE 15 - HG2 LYS 13 far 0 67 0 - 5.6-6.1 HD3 LYS 90 - HG2 LYS 20 far 0 92 0 - 5.7-10.7 HB2 LEU 2 - HG3 LYS 53 far 0 76 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 51 0 - 5.8-8.1 HD2 LYS 13 - HG2 LYS 12 far 0 100 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 13 far 0 91 0 - 6.1-6.7 HD2 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.1-7.5 HG12 ILE 15 - HG2 LYS 12 far 0 100 0 - 6.2-8.3 HD3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.4-8.2 HD3 LYS 24 - HG2 LYS 20 far 0 92 0 - 6.6-11.6 HD2 LYS 24 - HG2 LYS 20 far 0 92 0 - 7.6-10.9 HD2 LYS 90 - HG2 LYS 13 far 0 49 0 - 7.7-11.8 HD2 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.7-12.5 HB ILE 15 - HG2 LYS 20 far 0 68 0 - 8.2-8.9 HD3 LYS 33 - HG2 LYS 12 far 0 87 0 - 8.4-13.3 HD3 LYS 90 - HG2 LYS 13 far 0 91 0 - 8.5-11.8 HG2 PRO 86 - HG2 LYS 20 far 0 91 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 88 0 - 9.0-12.7 HG2 PRO 86 - HG2 LYS 12 far 0 99 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.3-12.2 HD2 LYS 20 - HG2 LYS 13 far 0 76 0 - 9.3-11.2 HD3 LYS 20 - HG2 LYS 13 far 0 72 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 93 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 91 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 93 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 422 from cnoeabs.peaks (1.70, 1.45, 25.00 ppm; 2.61 A): 9 out of 42 assignments used, quality = 1.00: HD2 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=67, 3.0/463=27...(64) * HD3 LYS 12 + HG2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=67, 3.0/463=27...(62) HD2 LYS 13 + HG2 LYS 13 OK 88 92 100 96 2.3-2.7 3.0=69, 487/3.9=11...(63) HD3 LYS 13 + HG2 LYS 13 OK 88 92 100 96 2.3-2.7 3.0=69, 487/3.9=10...(63) HB3 LYS 53 + HG2 LYS 53 OK 77 80 100 96 2.4-3.0 3.0=68, 2451/3.0=30...(29) HD2 LYS 20 + HG2 LYS 20 OK 74 77 100 96 2.4-2.6 2.8=77, 1.8/1729=10...(86) HG3 LYS 20 + HG2 LYS 20 OK 73 73 100 100 1.8-1.8 1.8=100 HD3 LYS 20 + HG2 LYS 20 OK 70 73 100 96 2.3-3.0 2.8=77, 1.8/1729=9...(82) HB3 LYS 53 + HG3 LYS 53 OK 66 69 100 96 2.4-3.0 3.0=68, 2451/3.0=30...(29) HB ILE 15 - HG2 LYS 12 far 0 79 0 - 4.6-5.9 HB2 LEU 2 - HG2 LYS 53 far 0 87 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 61 0 - 4.9-8.4 HD2 LYS 90 - HG2 LYS 20 far 0 50 0 - 4.9-9.2 HG2 PRO 86 - HG2 LYS 13 far 0 90 0 - 5.3-6.1 HD3 LYS 13 - HG2 LYS 12 far 0 100 0 - 5.3-8.4 HB ILE 15 - HG2 LYS 13 far 0 67 0 - 5.6-6.1 HD3 LYS 90 - HG2 LYS 20 far 0 92 0 - 5.7-10.7 HB2 LEU 2 - HG3 LYS 53 far 0 76 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 51 0 - 5.8-8.1 HD2 LYS 13 - HG2 LYS 12 far 0 100 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 13 far 0 91 0 - 6.1-6.7 HD2 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.1-7.5 HG12 ILE 15 - HG2 LYS 12 far 0 100 0 - 6.2-8.3 HD3 LYS 12 - HG2 LYS 13 far 0 92 0 - 6.4-8.2 HD3 LYS 24 - HG2 LYS 20 far 0 92 0 - 6.6-11.6 HD2 LYS 24 - HG2 LYS 20 far 0 92 0 - 7.6-10.9 HD2 LYS 90 - HG2 LYS 13 far 0 49 0 - 7.7-11.8 HD2 LYS 33 - HG2 LYS 12 far 0 87 0 - 7.7-12.5 HB ILE 15 - HG2 LYS 20 far 0 68 0 - 8.2-8.9 HD3 LYS 33 - HG2 LYS 12 far 0 87 0 - 8.4-13.3 HD3 LYS 90 - HG2 LYS 13 far 0 91 0 - 8.5-11.8 HG2 PRO 86 - HG2 LYS 20 far 0 91 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 88 0 - 9.0-12.7 HG2 PRO 86 - HG2 LYS 12 far 0 99 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.3-12.2 HD2 LYS 20 - HG2 LYS 13 far 0 76 0 - 9.3-11.2 HD3 LYS 20 - HG2 LYS 13 far 0 72 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 93 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 93 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 91 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 93 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 84 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 423 from cnoeabs.peaks (3.01, 1.45, 25.00 ppm; 3.95 A): 2 out of 10 assignments used, quality = 1.00: * HE2 LYS 12 + HG2 LYS 12 OK 99 100 100 99 2.0-3.7 4.0=99 HB3 ASP 11 + HG2 LYS 13 OK 75 87 100 86 1.9-2.8 8379/6191=25...(17) HB3 ASP 11 - HG2 LYS 12 far 0 98 0 - 5.9-7.5 HB2 SER 9 - HG2 LYS 13 far 0 84 0 - 6.1-8.1 HB2 SER 9 - HG2 LYS 12 far 0 96 0 - 6.9-11.4 HE3 LYS 33 - HG2 LYS 12 far 0 98 0 - 7.1-13.1 HE2 LYS 12 - HG2 LYS 13 far 0 92 0 - 7.2-9.3 HB2 PHE 45 - HG2 LYS 53 far 0 70 0 - 7.8-10.9 HE2 LYS 33 - HG2 LYS 12 far 0 98 0 - 8.1-12.1 HB2 PHE 45 - HG3 LYS 53 far 0 59 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 424 from cnoeabs.peaks (2.96, 1.45, 25.00 ppm; 4.37 A): 6 out of 23 assignments used, quality = 1.00: * HE3 LYS 12 + HG2 LYS 12 OK 100 100 100 100 2.4-4.2 4.0=100 HE2 LYS 13 + HG2 LYS 13 OK 91 91 100 100 3.4-4.2 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 91 91 100 100 3.4-4.0 3.8=100 HB3 ASP 11 + HG2 LYS 13 OK 58 67 100 86 1.9-2.8 8379/6191=23, ~8363=23...(17) HB2 ASN 51 + HG2 LYS 53 OK 39 76 90 57 5.1-7.6 4.6/6863=20, 4.0/9106=17...(8) HG2 MET 21 + HG2 LYS 20 OK 24 74 55 58 5.2-8.1 977/6326=20...(8) HB2 ASN 10 - HG2 LYS 12 poor 13 63 20 - 5.3-10.3 HE3 LYS 90 - HG2 LYS 20 far 3 68 5 - 5.6-10.2 HB2 ASN 51 - HG3 LYS 53 far 0 65 0 - 5.9-8.4 HB3 ASP 11 - HG2 LYS 12 far 0 79 0 - 5.9-7.5 HB2 SER 9 - HG2 LYS 13 far 0 72 0 - 6.1-8.1 HE3 LYS 13 - HG2 LYS 12 far 0 100 0 - 6.3-9.5 HE2 LYS 13 - HG2 LYS 12 far 0 100 0 - 6.7-10.1 HB2 SER 9 - HG2 LYS 12 far 0 84 0 - 6.9-11.4 HE3 LYS 90 - HG2 LYS 13 far 0 67 0 - 7.3-12.4 HE2 LYS 24 - HG2 LYS 20 far 0 92 0 - 7.4-11.4 HE3 LYS 24 - HG2 LYS 20 far 0 92 0 - 7.4-11.2 HB2 ASN 10 - HG2 LYS 13 far 0 53 0 - 7.4-8.2 HB2 PHE 45 - HG2 LYS 53 far 0 77 0 - 7.8-10.9 HE3 LYS 12 - HG2 LYS 13 far 0 92 0 - 7.9-9.0 HB3 PHE 45 - HG2 LYS 53 far 0 87 0 - 8.0-9.9 HB3 PHE 45 - HG3 LYS 53 far 0 76 0 - 8.8-11.1 HB2 PHE 45 - HG3 LYS 53 far 0 66 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 425 from cnoeabs.peaks (8.07, 1.45, 25.00 ppm; 4.04 A): 4 out of 12 assignments used, quality = 1.00: * H LYS 13 + HG2 LYS 12 OK 99 100 100 99 2.6-4.3 3.6/384=63, 6167=50...(14) H LYS 13 + HG2 LYS 13 OK 92 92 100 100 1.9-2.2 6177/1.8=84, 4.8=59...(30) H ILE 15 + HG2 LYS 13 OK 82 92 100 89 4.1-4.4 6209/6191=43...(17) H GLU 17 + HG2 LYS 20 OK 78 89 100 88 4.5-5.2 2.9/883=20, ~894=19...(25) H ILE 15 - HG2 LYS 12 far 10 100 10 - 5.4-6.9 H SER 102 - HG2 LYS 53 far 8 79 10 - 3.3-8.7 H SER 102 - HG3 LYS 53 lone 5 68 45 15 4.0-7.6 3.6/416=6, 3.6/10102=5...(5) H GLU 17 - HG2 LYS 13 far 0 88 0 - 6.0-6.5 H GLU 17 - HG2 LYS 12 far 0 98 0 - 6.7-9.1 H LYS 90 - HG2 LYS 20 far 0 68 0 - 7.1-9.6 H ILE 15 - HG2 LYS 20 far 0 93 0 - 8.3-8.8 H LYS 90 - HG2 LYS 13 far 0 67 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 426 from cnoeabs.peaks (8.56, 1.59, 25.00 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.8-4.2 6155=100, ~384=42...(20) H GLN 50 - HG3 LYS 47 far 0 58 0 - 8.7-10.0 Violated in 3 structures by 0.03 A. Peak 427 from cnoeabs.peaks (3.85, 1.59, 25.00 ppm; 4.24 A): 2 out of 14 assignments used, quality = 1.00: * HA LYS 12 + HG3 LYS 12 OK 100 100 100 100 3.3-4.2 3.7=100 HA ARG 91 + HG3 LYS 90 OK 22 45 50 99 3.7-6.7 3.0/7436=42, ~7435=41...(28) HA ALA 71 - HG3 LYS 73 far 15 99 15 - 5.5-7.8 HA GLU 43 - HG3 LYS 47 poor 7 44 50 33 4.1-7.1 6757/6773=19, 3.6/2178=7...(5) HA ALA 22 - HG2 LYS 24 far 0 77 0 - 6.1-7.9 HA LYS 94 - HG2 LYS 24 far 0 96 0 - 6.3-9.0 HB3 SER 49 - HG3 LYS 47 far 0 63 0 - 6.8-9.8 HA ALA 67 - HG3 LYS 73 far 0 100 0 - 7.2-10.1 HA LYS 94 - HG3 LYS 90 far 0 70 0 - 7.8-10.5 HA LYS 40 - HG3 LYS 47 far 0 60 0 - 7.8-10.7 HA ALA 22 - HG3 LYS 90 far 0 52 0 - 8.1-10.5 HA GLU 35 - HG3 LYS 73 far 0 73 0 - 8.7-12.2 HA ARG 91 - HG2 LYS 24 far 0 68 0 - 8.8-11.8 HA SER 97 - HG2 LYS 24 far 0 58 0 - 9.4-11.9 Violated in 0 structures by 0.00 A. Peak 428 from cnoeabs.peaks (1.86, 1.59, 25.00 ppm; 3.25 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-2.6 3.0=100 HB3 LYS 90 + HG3 LYS 90 OK 50 50 100 100 2.2-2.8 2.8=100 HG2 ARG 46 - HG3 LYS 47 poor 17 30 55 - 2.4-7.2 HB3 LYS 39 - HG3 LYS 73 far 0 100 0 - 6.1-9.1 HB3 LYS 90 - HG2 LYS 24 far 0 74 0 - 6.5-10.6 HB2 LYS 20 - HG2 LYS 24 far 0 82 0 - 6.7-8.7 HB3 LEU 14 - HG3 LYS 90 far 0 38 0 - 6.9-10.7 HB2 ARG 19 - HG3 LYS 90 far 0 52 0 - 7.0-10.6 HB2 LYS 20 - HG3 LYS 90 far 0 56 0 - 7.1-10.1 HB3 LEU 14 - HG3 LYS 12 far 0 61 0 - 7.1-8.6 HB2 LYS 68 - HG3 LYS 73 far 0 83 0 - 8.2-11.4 HB3 LYS 68 - HG3 LYS 73 far 0 99 0 - 8.5-11.0 HG LEU 42 - HG3 LYS 73 far 0 73 0 - 8.5-12.5 HB2 ARG 19 - HG3 LYS 12 far 0 81 0 - 8.6-12.7 HB3 LYS 39 - HG3 LYS 47 far 0 63 0 - 9.2-14.1 HB VAL 5 - HG3 LYS 90 far 0 73 0 - 9.5-11.4 HB3 LYS 66 - HG3 LYS 73 far 0 100 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 429 from cnoeabs.peaks (1.87, 1.59, 25.00 ppm; 3.25 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-2.6 3.0=100 HB2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LYS 90 + HG3 LYS 90 OK 47 47 100 100 2.2-2.8 2.8=100 HB2 GLU 43 - HG3 LYS 47 poor 13 29 45 - 3.8-7.0 HB3 LYS 39 - HG3 LYS 73 far 0 100 0 - 6.1-9.1 HB3 LYS 90 - HG2 LYS 24 far 0 70 0 - 6.5-10.6 HB2 LYS 20 - HG2 LYS 24 far 0 85 0 - 6.7-8.7 HB3 LEU 14 - HG3 LYS 90 far 0 41 0 - 6.9-10.7 HB2 ARG 19 - HG3 LYS 90 far 0 55 0 - 7.0-10.6 HB2 LYS 20 - HG3 LYS 90 far 0 59 0 - 7.1-10.1 HB3 LEU 14 - HG3 LYS 12 far 0 65 0 - 7.1-8.6 HB2 LYS 68 - HG3 LYS 73 far 0 80 0 - 8.2-11.4 HB3 LYS 68 - HG3 LYS 73 far 0 100 0 - 8.5-11.0 HG LEU 42 - HG3 LYS 73 far 0 76 0 - 8.5-12.5 HB2 ARG 19 - HG3 LYS 12 far 0 84 0 - 8.6-12.7 HB3 LYS 39 - HG3 LYS 47 far 0 62 0 - 9.2-14.1 HB VAL 5 - HG3 LYS 90 far 0 73 0 - 9.5-11.4 HB3 LYS 66 - HG3 LYS 73 far 0 100 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 430 from cnoeabs.peaks (1.45, 1.59, 25.00 ppm; 2.55 A): 1 out of 21 assignments used, quality = 1.00: * HG2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 91 - HG3 LYS 90 poor 9 72 30 42 2.8-6.3 4.8/7436=8, 10285/1.8=7...(11) HG2 LYS 20 - HG3 LYS 90 far 0 69 0 - 4.6-8.8 HG2 LYS 13 - HG3 LYS 12 far 0 96 0 - 4.9-6.5 QB ALA 71 - HG3 LYS 73 far 0 67 0 - 5.6-7.4 HG3 LYS 39 - HG3 LYS 73 far 0 100 0 - 6.2-10.3 HG13 ILE 76 - HG3 LYS 47 far 0 61 0 - 6.4-9.6 QB ALA 22 - HG3 LYS 90 far 0 71 0 - 6.8-9.0 QB ALA 22 - HG2 LYS 24 far 0 97 0 - 6.9-8.1 HG LEU 29 - HG3 LYS 90 far 0 71 0 - 7.6-11.9 HG13 ILE 52 - HG3 LYS 47 far 0 59 0 - 7.8-12.3 HG12 ILE 7 - HG3 LYS 90 far 0 61 0 - 8.0-11.3 HG2 LYS 20 - HG2 LYS 24 far 0 96 0 - 8.0-10.2 HB2 LEU 27 - HG2 LYS 24 far 0 96 0 - 8.0-9.7 HG LEU 38 - HG3 LYS 73 far 0 96 0 - 8.3-12.4 HB2 LEU 38 - HG3 LYS 73 far 0 98 0 - 8.4-12.0 HG2 LYS 13 - HG3 LYS 90 far 0 67 0 - 8.7-12.3 HG13 ILE 76 - HG3 LYS 73 far 0 99 0 - 9.3-11.0 HG3 LYS 39 - HG3 LYS 47 far 0 62 0 - 9.4-14.6 HD3 LYS 40 - HG3 LYS 47 far 0 52 0 - 9.5-13.3 HD2 LYS 40 - HG3 LYS 47 far 0 53 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 431 from cnoeabs.peaks (1.59, 1.59, 25.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 12 + HG3 LYS 12 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 97 97 - 100 HG3 LYS 90 + HG3 LYS 90 OK 71 71 - 100 HG3 LYS 47 + HG3 LYS 47 OK 44 44 - 100 Peak 432 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.49 A): 10 out of 38 assignments used, quality = 1.00: * HD2 LYS 12 + HG3 LYS 12 OK 95 100 100 95 2.6-3.0 3.0=59, 3.0/464=24...(49) HD3 LYS 12 + HG3 LYS 12 OK 95 100 100 95 2.2-2.7 3.0=59, 3.0/464=24...(48) HD3 LYS 24 + HG2 LYS 24 OK 92 98 100 94 2.2-2.9 3.0=60, 1.8/1121=12...(55) HD2 LYS 24 + HG2 LYS 24 OK 92 98 100 94 2.2-3.0 3.0=60, 1.8/1121=12...(55) HD3 LYS 90 + HG3 LYS 90 OK 68 73 100 93 2.2-3.0 2.9=61, 7422/7420=18...(25) HD2 LYS 73 + HG3 LYS 73 OK 66 71 100 93 2.3-3.0 3.0=60, 1.8/3298=23...(52) HD3 LYS 73 + HG3 LYS 73 OK 63 67 100 94 2.4-3.0 3.0=60, 1.8/3298=23...(62) HD3 LYS 47 + HG3 LYS 47 OK 50 53 100 95 2.3-3.0 3.0=59, 1.8/3298=9...(77) HD2 LYS 47 + HG3 LYS 47 OK 49 52 100 94 2.3-3.0 3.0=59, 1.8/3298=9...(75) HD2 LYS 90 + HG3 LYS 90 OK 33 37 100 91 2.7-3.0 2.9=61, 1.8/3984=17...(28) HB3 LEU 70 - HG3 LYS 73 far 0 96 0 - 4.3-6.8 HG3 LYS 20 - HG3 LYS 90 far 0 55 0 - 4.4-9.6 HB ILE 15 - HG3 LYS 12 far 0 79 0 - 4.8-6.1 HD3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.0-9.8 HB3 ARG 91 - HG3 LYS 90 far 0 64 0 - 5.2-8.3 HG2 PRO 86 - HG3 LYS 90 far 0 72 0 - 5.2-8.3 HG LEU 70 - HG3 LYS 73 far 0 100 0 - 5.2-8.1 HD2 LYS 20 - HG3 LYS 90 far 0 59 0 - 5.6-9.0 HD2 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.7-8.8 HD3 LYS 13 - HG3 LYS 12 far 0 100 0 - 6.1-8.9 HG3 LYS 20 - HG2 LYS 24 far 0 80 0 - 6.5-10.1 HD3 LYS 13 - HG3 LYS 90 far 0 74 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 74 0 - 6.9-13.4 HG12 ILE 15 - HG3 LYS 12 far 0 100 0 - 7.2-8.4 HD3 LYS 24 - HG3 LYS 90 far 0 73 0 - 7.5-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 100 0 - 8.2-12.3 HD2 LYS 20 - HG3 LYS 12 far 0 88 0 - 8.3-12.8 HD3 LYS 20 - HG2 LYS 24 far 0 80 0 - 8.5-10.7 HD2 LYS 90 - HG2 LYS 24 far 0 56 0 - 8.6-14.1 HD2 LYS 24 - HG3 LYS 90 far 0 73 0 - 8.6-13.7 HD2 LYS 20 - HG2 LYS 24 far 0 85 0 - 8.7-11.2 HG12 ILE 15 - HG3 LYS 90 far 0 72 0 - 8.8-11.9 HB ILE 15 - HG3 LYS 90 far 0 51 0 - 8.9-12.2 HD2 LYS 33 - HG3 LYS 12 far 0 87 0 - 9.0-12.5 HB ILE 52 - HG3 LYS 47 far 0 41 0 - 9.1-11.9 HD3 LYS 90 - HG2 LYS 24 far 0 98 0 - 9.6-13.0 HD3 LYS 20 - HG3 LYS 12 far 0 84 0 - 9.6-13.3 HD3 LYS 33 - HG3 LYS 12 far 0 87 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 433 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.49 A): 10 out of 38 assignments used, quality = 1.00: HD2 LYS 12 + HG3 LYS 12 OK 95 100 100 95 2.6-3.0 3.0=59, 3.0/464=24...(49) * HD3 LYS 12 + HG3 LYS 12 OK 95 100 100 95 2.2-2.7 3.0=59, 3.0/464=24...(48) HD3 LYS 24 + HG2 LYS 24 OK 92 98 100 94 2.2-2.9 3.0=60, 1.8/1121=12...(55) HD2 LYS 24 + HG2 LYS 24 OK 92 98 100 94 2.2-3.0 3.0=60, 1.8/1121=12...(55) HD3 LYS 90 + HG3 LYS 90 OK 68 73 100 93 2.2-3.0 2.9=61, 7422/7420=18...(25) HD2 LYS 73 + HG3 LYS 73 OK 66 71 100 93 2.3-3.0 3.0=60, 1.8/3298=23...(52) HD3 LYS 73 + HG3 LYS 73 OK 63 67 100 94 2.4-3.0 3.0=60, 1.8/3298=23...(62) HD3 LYS 47 + HG3 LYS 47 OK 50 53 100 95 2.3-3.0 3.0=59, 1.8/3298=9...(77) HD2 LYS 47 + HG3 LYS 47 OK 49 52 100 94 2.3-3.0 3.0=59, 1.8/3298=9...(75) HD2 LYS 90 + HG3 LYS 90 OK 33 37 100 91 2.7-3.0 2.9=61, 1.8/3984=17...(28) HB3 LEU 70 - HG3 LYS 73 far 0 96 0 - 4.3-6.8 HG3 LYS 20 - HG3 LYS 90 far 0 55 0 - 4.4-9.6 HB ILE 15 - HG3 LYS 12 far 0 79 0 - 4.8-6.1 HD3 LYS 20 - HG3 LYS 90 far 0 55 0 - 5.0-9.8 HB3 ARG 91 - HG3 LYS 90 far 0 64 0 - 5.2-8.3 HG2 PRO 86 - HG3 LYS 90 far 0 72 0 - 5.2-8.3 HG LEU 70 - HG3 LYS 73 far 0 100 0 - 5.2-8.1 HD2 LYS 20 - HG3 LYS 90 far 0 59 0 - 5.6-9.0 HD2 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.7-8.8 HD3 LYS 13 - HG3 LYS 12 far 0 100 0 - 6.1-8.9 HG3 LYS 20 - HG2 LYS 24 far 0 80 0 - 6.5-10.1 HD3 LYS 13 - HG3 LYS 90 far 0 74 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 74 0 - 6.9-13.4 HG12 ILE 15 - HG3 LYS 12 far 0 100 0 - 7.2-8.4 HD3 LYS 24 - HG3 LYS 90 far 0 73 0 - 7.5-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 100 0 - 8.2-12.3 HD2 LYS 20 - HG3 LYS 12 far 0 88 0 - 8.3-12.8 HD3 LYS 20 - HG2 LYS 24 far 0 80 0 - 8.5-10.7 HD2 LYS 90 - HG2 LYS 24 far 0 56 0 - 8.6-14.1 HD2 LYS 24 - HG3 LYS 90 far 0 73 0 - 8.6-13.7 HD2 LYS 20 - HG2 LYS 24 far 0 85 0 - 8.7-11.2 HG12 ILE 15 - HG3 LYS 90 far 0 72 0 - 8.8-11.9 HB ILE 15 - HG3 LYS 90 far 0 51 0 - 8.9-12.2 HD2 LYS 33 - HG3 LYS 12 far 0 87 0 - 9.0-12.5 HB ILE 52 - HG3 LYS 47 far 0 41 0 - 9.1-11.9 HD3 LYS 90 - HG2 LYS 24 far 0 98 0 - 9.6-13.0 HD3 LYS 20 - HG3 LYS 12 far 0 84 0 - 9.6-13.3 HD3 LYS 33 - HG3 LYS 12 far 0 87 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 434 from cnoeabs.peaks (3.01, 1.59, 25.00 ppm; 4.03 A): 3 out of 9 assignments used, quality = 1.00: * HE2 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-3.8 4.0=100 HE3 LYS 47 + HG3 LYS 47 OK 38 38 100 100 2.4-3.8 3.8=100 HE2 LYS 47 + HG3 LYS 47 OK 38 38 100 100 2.4-4.0 3.8=100 HB3 ASP 11 - HG3 LYS 12 far 0 98 0 - 6.3-7.3 HB2 PHE 45 - HG3 LYS 47 far 0 48 0 - 6.7-9.0 HE3 LYS 33 - HG3 LYS 12 far 0 98 0 - 8.4-12.8 HB2 SER 9 - HG3 LYS 12 far 0 96 0 - 8.5-10.5 HB3 ASP 11 - HG3 LYS 90 far 0 69 0 - 9.1-12.9 HE2 LYS 33 - HG3 LYS 12 far 0 98 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 435 from cnoeabs.peaks (2.96, 1.59, 25.00 ppm; 3.46 A): 9 out of 23 assignments used, quality = 1.00: * HE3 LYS 12 + HG3 LYS 12 OK 100 100 100 100 2.2-4.1 4.0=66, 1.8/464=66...(52) HE2 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.0-4.1 3.7=80, 12306/3.7=17...(112) HE3 LYS 24 + HG2 LYS 24 OK 98 98 100 100 2.0-4.2 3.7=80, 12306/3.7=14...(112) HE2 LYS 73 + HG3 LYS 73 OK 96 96 100 99 2.1-3.8 4.0=64, 3.0/3298=26...(116) HE3 LYS 73 + HG3 LYS 73 OK 92 92 100 100 2.0-3.2 4.0=64, 3.0/3298=26...(115) HE2 LYS 47 + HG3 LYS 47 OK 60 61 100 100 2.4-4.0 3.8=77, 2154/3.0=13...(136) HE3 LYS 47 + HG3 LYS 47 OK 60 61 100 100 2.4-3.8 3.8=77, 2154/3.0=13...(136) HE3 LYS 90 + HG3 LYS 90 OK 50 51 100 99 2.0-3.1 3.8=76, 4005/1.8=47...(28) HG2 MET 21 + HG3 LYS 90 OK 41 56 90 82 2.5-6.3 8546/4.0=26, 8556/2.8=13...(22) HB2 ASN 10 - HG3 LYS 12 far 0 63 0 - 6.3-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 79 0 - 6.3-7.3 HG2 MET 21 - HG2 LYS 24 far 0 82 0 - 6.4-9.2 HB3 PHE 45 - HG3 LYS 47 far 0 63 0 - 6.5-8.7 HB2 PHE 45 - HG3 LYS 47 far 0 54 0 - 6.7-9.0 HE3 LYS 13 - HG3 LYS 12 far 0 100 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 90 far 0 73 0 - 7.5-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 72 0 - 7.5-13.7 HE2 LYS 13 - HG3 LYS 12 far 0 100 0 - 8.1-10.5 HE2 LYS 24 - HG3 LYS 90 far 0 73 0 - 8.3-12.9 HB2 SER 9 - HG3 LYS 12 far 0 84 0 - 8.5-10.5 HE3 LYS 24 - HG3 LYS 90 far 0 73 0 - 8.8-13.3 HB3 ASP 11 - HG3 LYS 90 far 0 51 0 - 9.1-12.9 HE3 LYS 90 - HG2 LYS 24 far 0 75 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 436 from cnoeabs.peaks (8.07, 1.59, 25.00 ppm; 4.21 A): 3 out of 10 assignments used, quality = 1.00: * H LYS 13 + HG3 LYS 12 OK 99 100 100 99 3.1-4.6 6163/6155=63, 6168=57...(13) H LYS 90 + HG3 LYS 90 OK 51 51 100 100 1.9-4.4 7420=71, 7419/1.8=67...(26) H GLU 17 + HG3 LYS 90 OK 26 69 50 75 4.7-7.6 4.0/12027=40...(10) H GLU 75 - HG3 LYS 73 far 15 100 15 - 5.6-6.2 H ILE 15 - HG3 LYS 12 far 5 100 5 - 5.5-7.1 H GLU 17 - HG3 LYS 12 far 0 98 0 - 6.0-9.6 H ILE 15 - HG3 LYS 90 far 0 74 0 - 7.4-10.8 H LYS 39 - HG3 LYS 73 far 0 99 0 - 8.0-11.0 H LYS 13 - HG3 LYS 90 far 0 74 0 - 9.7-13.3 H LYS 90 - HG2 LYS 24 far 0 75 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 437 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.57 A): 5 out of 7 assignments used, quality = 1.00: * H LYS 12 + HD2 LYS 12 OK 100 100 100 100 3.8-4.9 6155/3.0=96, 6.2=73...(21) H LYS 12 + HD3 LYS 12 OK 100 100 100 100 4.2-5.9 6155/3.0=96, 6.2=73...(20) H LYS 12 + HD2 LYS 13 OK 84 96 100 87 4.4-6.6 6163/6.0=59, 6154/3.0=42...(9) H LYS 12 + HD3 LYS 13 OK 84 96 100 87 4.2-6.7 6163/6.0=59, 6154/3.0=42...(9) H LYS 12 + HG12 ILE 15 OK 68 68 100 100 5.5-6.3 8380/2.1=97, ~8446=73...(18) H VAL 58 - HG12 ILE 15 far 0 57 0 - 8.3-9.2 H GLN 50 - HD3 LYS 47 far 0 68 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 438 from cnoeabs.peaks (3.85, 1.70, 29.09 ppm; 4.12 A): 5 out of 29 assignments used, quality = 1.00: * HA LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.7-3.1 384/3.0=75, 5.2=51...(46) HA LYS 12 + HD3 LYS 12 OK 100 100 100 100 3.4-4.5 384/3.0=75, 5.2=51...(44) HA LYS 12 + HG12 ILE 15 OK 68 68 100 100 4.3-4.7 8446/2.1=83, 644/2.9=71...(21) HA ARG 91 + HB3 ARG 91 OK 47 47 100 100 2.4-3.0 3.0=100 HA ARG 91 + HD3 LYS 90 OK 26 41 65 97 3.4-6.3 ~7437=43, 3.0/7438=38...(21) HA GLU 43 - HD3 LYS 47 far 5 53 10 - 5.0-7.9 HA GLU 43 - HD2 LYS 47 far 5 51 10 - 5.5-8.4 HA ALA 22 - HD2 LYS 24 far 0 69 0 - 5.8-8.9 HA ALA 22 - HD3 LYS 24 far 0 69 0 - 5.9-8.3 HA LYS 94 - HD2 LYS 24 far 0 88 0 - 5.9-9.8 HA LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-7.2 HA LYS 12 - HD3 LYS 13 far 0 96 0 - 6.1-7.2 HA LYS 94 - HD3 LYS 24 far 0 89 0 - 6.3-10.5 HA LYS 40 - HD3 LYS 47 far 0 71 0 - 6.9-10.7 HA LYS 94 - HB3 ARG 91 far 0 73 0 - 7.1-8.7 HA LYS 40 - HD2 LYS 47 far 0 69 0 - 7.6-10.9 HB3 SER 49 - HD3 LYS 47 far 0 74 0 - 8.1-10.9 HA LYS 12 - HD2 LYS 20 far 0 73 0 - 8.7-11.3 HA LYS 94 - HD3 LYS 90 far 0 64 0 - 8.7-10.8 HB3 SER 49 - HD2 LYS 47 far 0 72 0 - 8.8-11.8 HA LYS 12 - HD3 LYS 20 far 0 65 0 - 8.9-12.3 HA ARG 91 - HD2 LYS 24 far 0 60 0 - 9.1-13.6 HA ALA 22 - HD2 LYS 20 far 0 51 0 - 9.1-10.7 HA SER 97 - HD2 LYS 24 far 0 51 0 - 9.1-13.9 HA ARG 91 - HD3 LYS 24 far 0 61 0 - 9.2-14.0 HA ARG 91 - HD2 LYS 20 far 0 45 0 - 9.5-13.2 HA SER 97 - HD3 LYS 24 far 0 52 0 - 9.7-13.3 HA ALA 22 - HD3 LYS 90 far 0 47 0 - 9.7-11.2 HA ALA 22 - HD3 LYS 20 far 0 45 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 439 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.05 A): 9 out of 53 assignments used, quality = 1.00: * HB2 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.0-2.9 3.6=62, 3.0/387=14...(77) HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.6 3.6=62, 3.0/387=14...(75) HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 3.4-3.9 3.6=62, 3.0/387=14...(76) HB3 LYS 12 + HD3 LYS 12 OK 99 100 100 99 3.2-4.2 3.6=62, 3.0/387=14...(75) HB2 LYS 20 + HD2 LYS 20 OK 54 55 100 97 2.4-3.6 3.5=65, 1.8/2153=11...(68) HB2 LYS 20 + HD3 LYS 20 OK 48 49 100 97 2.5-3.7 3.5=65, 1.8/2153=11...(68) HB3 LYS 90 + HD3 LYS 90 OK 44 44 100 99 2.9-3.9 3.6=60, 3.0/3918=30...(48) HB3 LEU 14 + HD2 LYS 13 OK 28 55 85 60 2.9-6.1 3.1/10406=9, ~245=7...(23) HB3 LEU 14 + HD3 LYS 13 OK 28 55 85 60 3.1-5.8 3.1/10406=9, ~245=7...(23) HB3 LEU 14 - HG12 ILE 15 poor 19 34 95 57 4.1-4.7 4.4/6219=13...(17) HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 4.4-7.4 HB2 ARG 19 - HD2 LYS 20 poor 9 51 55 33 3.3-7.1 797/5.9=10, 788/5.3=5...(12) HB3 GLU 104 - HB3 ARG 91 far 4 75 5 - 4.0-18.0 HG2 ARG 46 - HD3 LYS 47 far 4 37 10 - 4.3-8.5 HG2 ARG 46 - HD2 LYS 47 far 0 36 0 - 4.6-9.3 HB2 ARG 19 - HD3 LYS 20 far 0 45 0 - 4.6-7.0 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.2-7.6 HB3 LYS 90 - HD2 LYS 20 far 0 49 0 - 5.3-8.5 HB3 LYS 90 - HD3 LYS 20 far 0 43 0 - 5.7-8.9 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.4 HB2 LYS 20 - HD3 LYS 24 far 0 74 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 73 0 - 6.2-9.8 HB3 LYS 90 - HB3 ARG 91 far 0 52 0 - 6.2-7.3 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.1 HB2 ARG 19 - HG12 ILE 15 far 0 48 0 - 6.5-8.8 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 6.7-8.4 HB2 ARG 19 - HD2 LYS 12 far 0 81 0 - 6.7-10.2 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.0-7.6 HB3 LEU 14 - HD3 LYS 90 far 0 34 0 - 7.1-10.1 HB3 LYS 90 - HD3 LYS 24 far 0 66 0 - 7.1-11.6 HB ILE 8 - HG12 ILE 15 far 0 44 0 - 7.2-7.8 HB3 LEU 14 - HD2 LYS 12 far 0 61 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 81 0 - 7.4-11.7 HB2 ARG 19 - HD3 LYS 90 far 0 47 0 - 7.9-11.7 HB3 LEU 14 - HD3 LYS 12 far 0 61 0 - 8.1-9.7 HB3 LYS 90 - HD3 LYS 13 far 0 70 0 - 8.3-14.1 HB3 LYS 90 - HD2 LYS 24 far 0 65 0 - 8.3-11.8 HB2 LYS 20 - HD3 LYS 90 far 0 51 0 - 8.3-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.6-12.2 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.7-13.0 HB3 LYS 90 - HD2 LYS 13 far 0 70 0 - 8.8-13.5 HB3 LYS 90 - HG12 ILE 15 far 0 45 0 - 9.1-11.3 HB3 LYS 39 - HD3 LYS 47 far 0 74 0 - 9.1-14.0 HB3 LYS 39 - HD2 LYS 47 far 0 72 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 33 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 37 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.3-12.8 HB2 LYS 20 - HD3 LYS 12 far 0 85 0 - 9.5-15.0 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.5-13.8 HB2 LYS 20 - HD2 LYS 12 far 0 85 0 - 9.6-13.5 HB VAL 5 - HG12 ILE 15 far 0 68 0 - 9.8-10.6 HB2 ARG 19 - HD2 LYS 13 far 0 73 0 - 9.9-14.3 HB3 GLU 104 - HD3 LYS 90 far 0 66 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 440 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.05 A): 10 out of 53 assignments used, quality = 1.00: HB2 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.0-2.9 3.6=62, 3.0/387=14...(77) * HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 3.4-3.9 3.6=62, 3.0/387=14...(76) HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.6 3.6=62, 3.0/387=14...(75) HB3 LYS 12 + HD3 LYS 12 OK 99 100 100 99 3.2-4.2 3.6=62, 3.0/387=14...(75) HB2 LYS 20 + HD2 LYS 20 OK 56 58 100 97 2.4-3.6 3.5=65, 1.8/2153=11...(68) HB2 LYS 20 + HD3 LYS 20 OK 50 51 100 97 2.5-3.7 3.5=65, 1.8/2153=11...(68) HB3 LYS 90 + HD3 LYS 90 OK 41 42 100 99 2.9-3.9 3.6=60, 3.0/3918=30...(48) HB3 LEU 14 + HD2 LYS 13 OK 30 59 85 61 2.9-6.1 3.1/10406=9, ~245=7...(23) HB3 LEU 14 + HD3 LYS 13 OK 30 59 85 61 3.1-5.8 3.1/10406=9, ~245=7...(23) HB3 LEU 14 + HG12 ILE 15 OK 20 37 95 58 4.1-4.7 4.4/6219=13...(17) HB2 ARG 19 - HD2 LYS 20 poor 10 54 55 34 3.3-7.1 797/5.9=10, 788/5.3=5...(12) HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 4.4-7.4 HB2 GLU 43 - HD2 LYS 47 poor 9 34 25 - 4.0-7.7 HB2 GLU 43 - HD3 LYS 47 far 5 36 15 - 3.5-7.5 HB3 GLU 104 - HB3 ARG 91 far 4 76 5 - 4.0-18.0 HB2 ARG 19 - HD3 LYS 20 far 0 48 0 - 4.6-7.0 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.2-7.6 HB3 LYS 90 - HD2 LYS 20 far 0 46 0 - 5.3-8.5 HB3 LYS 90 - HD3 LYS 20 far 0 40 0 - 5.7-8.9 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.4 HB2 LYS 20 - HD3 LYS 24 far 0 77 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 76 0 - 6.2-9.8 HB3 LYS 90 - HB3 ARG 91 far 0 49 0 - 6.2-7.3 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.1 HB2 ARG 19 - HG12 ILE 15 far 0 50 0 - 6.5-8.8 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 6.7-8.4 HB2 ARG 19 - HD2 LYS 12 far 0 84 0 - 6.7-10.2 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.0-7.6 HB3 LEU 14 - HD3 LYS 90 far 0 37 0 - 7.1-10.1 HB3 LYS 90 - HD3 LYS 24 far 0 62 0 - 7.1-11.6 HB ILE 8 - HG12 ILE 15 far 0 46 0 - 7.2-7.8 HB3 LEU 14 - HD2 LYS 12 far 0 65 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 84 0 - 7.4-11.7 HB2 ARG 19 - HD3 LYS 90 far 0 49 0 - 7.9-11.7 HB3 LEU 14 - HD3 LYS 12 far 0 65 0 - 8.1-9.7 HB3 LYS 90 - HD3 LYS 13 far 0 66 0 - 8.3-14.1 HB3 LYS 90 - HD2 LYS 24 far 0 62 0 - 8.3-11.8 HB2 LYS 20 - HD3 LYS 90 far 0 53 0 - 8.3-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.6-12.2 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.7-13.0 HB3 LYS 90 - HD2 LYS 13 far 0 66 0 - 8.8-13.5 HB3 LYS 90 - HG12 ILE 15 far 0 42 0 - 9.1-11.3 HB3 LYS 39 - HD3 LYS 47 far 0 74 0 - 9.1-14.0 HB3 LYS 39 - HD2 LYS 47 far 0 72 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 35 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 40 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.3-12.8 HB2 LYS 20 - HD3 LYS 12 far 0 88 0 - 9.5-15.0 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.5-13.8 HB2 LYS 20 - HD2 LYS 12 far 0 88 0 - 9.6-13.5 HB VAL 5 - HG12 ILE 15 far 0 67 0 - 9.8-10.6 HB2 ARG 19 - HD2 LYS 13 far 0 77 0 - 9.9-14.3 HB3 GLU 104 - HD3 LYS 90 far 0 67 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 441 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 2.83 A): 9 out of 58 assignments used, quality = 1.00: * HG2 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.3-3.0 3.0=85, 463/3.0=33...(66) HG2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.3-3.0 3.0=85, 463/3.0=33...(64) HG2 LYS 13 + HD2 LYS 13 OK 89 90 100 99 2.3-2.7 3.0=88, 3.9/487=13...(63) HG2 LYS 13 + HD3 LYS 13 OK 89 90 100 99 2.3-2.7 3.0=88, 518/5.5=12...(63) HG3 ARG 91 + HB3 ARG 91 OK 74 75 100 99 2.4-3.0 2.8=97, 7445/3.9=17...(10) HG2 LYS 20 + HD2 LYS 20 OK 68 68 100 100 2.4-2.6 2.8=97, 882/5.9=10...(72) HG2 LYS 20 + HD3 LYS 20 OK 61 61 100 100 2.3-3.0 2.8=97, 882/5.9=10...(74) HG12 ILE 7 + HG12 ILE 15 OK 43 56 90 86 2.7-4.5 ~8469=21, ~10118=20...(28) HG3 ARG 91 + HD3 LYS 90 OK 32 66 85 58 2.1-4.9 4056=12, 1.8/4047=12...(15) HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.3-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 63 0 - 5.7-10.7 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.5 HG2 LYS 13 - HG12 ILE 15 far 0 61 0 - 6.1-6.7 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-7.5 HG2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.2-8.3 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.4-8.2 HG LEU 29 - HG12 ILE 15 far 0 65 0 - 6.4-8.1 HG2 LYS 20 - HD3 LYS 24 far 0 88 0 - 6.6-11.6 QB ALA 22 - HD2 LYS 24 far 0 89 0 - 6.7-8.9 QB ALA 22 - HD3 LYS 24 far 0 89 0 - 6.7-8.6 QB ALA 22 - HD2 LYS 20 far 0 70 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 70 0 - 7.2-11.2 HB2 LEU 27 - HD3 LYS 24 far 0 88 0 - 7.5-10.8 HG2 LYS 20 - HD2 LYS 24 far 0 88 0 - 7.6-10.9 HG LEU 29 - HD3 LYS 20 far 0 62 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 62 0 - 7.8-8.7 HG12 ILE 7 - HD2 LYS 13 far 0 84 0 - 7.9-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 88 0 - 8.0-11.5 QB ALA 22 - HD3 LYS 90 far 0 64 0 - 8.1-9.7 HG12 ILE 7 - HD3 LYS 13 far 0 84 0 - 8.1-11.4 HD2 LYS 40 - HD3 LYS 47 far 0 64 0 - 8.1-11.9 HG13 ILE 76 - HD3 LYS 47 far 0 72 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 70 0 - 8.4-11.3 HG2 LYS 13 - HD3 LYS 90 far 0 61 0 - 8.5-11.8 HG12 ILE 7 - HD3 LYS 90 far 0 55 0 - 8.6-11.6 QB ALA 22 - HG12 ILE 15 far 0 65 0 - 8.6-9.9 HD2 LYS 40 - HD2 LYS 47 far 0 62 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 71 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 63 0 - 8.8-13.2 HG2 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.0-12.7 HG LEU 29 - HD3 LYS 90 far 0 64 0 - 9.1-12.9 HG2 LYS 20 - HD2 LYS 12 far 0 98 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 66 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 59 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 91 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 98 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 74 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 61 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 92 0 - 9.5-13.3 HG3 ARG 91 - HD2 LYS 13 far 0 95 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 64 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 92 0 - 9.5-12.9 HG2 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.6-13.2 HG3 ARG 91 - HD3 LYS 13 far 0 95 0 - 9.6-14.4 HG3 LYS 39 - HD2 LYS 47 far 0 72 0 - 9.6-16.2 HG LEU 29 - HD2 LYS 12 far 0 99 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 64 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 442 from cnoeabs.peaks (1.59, 1.70, 29.09 ppm; 2.41 A): 7 out of 51 assignments used, quality = 1.00: * HG3 LYS 12 + HD2 LYS 12 OK 93 100 100 93 2.6-3.0 3.0=53, 464/3.0=22...(47) HG3 LYS 12 + HD3 LYS 12 OK 93 100 100 93 2.2-2.7 3.0=53, 464/3.0=22...(46) HG2 LYS 24 + HD3 LYS 24 OK 81 91 100 90 2.2-2.9 3.0=55, 1091/1.8=9...(49) HG2 LYS 24 + HD2 LYS 24 OK 81 90 100 90 2.2-3.0 3.0=55, 1091/1.8=9...(48) HG3 LYS 90 + HD3 LYS 90 OK 57 64 100 89 2.2-3.0 2.9=55, 7420/7422=16...(24) HG3 LYS 47 + HD3 LYS 47 OK 48 53 100 91 2.3-3.0 3.0=54, 2175/1.8=9...(61) HG3 LYS 47 + HD2 LYS 47 OK 46 51 100 91 2.3-3.0 3.0=54, 2175/1.8=9...(60) HG2 ARG 19 - HD3 LYS 20 far 0 63 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 76 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 70 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.3-8.9 HD2 LYS 94 - HD3 LYS 90 far 0 44 0 - 4.7-11.5 HG3 LYS 90 - HD3 LYS 20 far 0 62 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 74 0 - 5.2-8.3 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 5.6-10.7 HG3 LYS 90 - HD2 LYS 20 far 0 70 0 - 5.6-9.0 HD2 LYS 94 - HD2 LYS 24 far 0 65 0 - 5.6-10.7 HG3 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.7-8.8 HD3 LYS 94 - HD3 LYS 24 far 0 92 0 - 5.8-12.1 HD2 LYS 94 - HD3 LYS 24 far 0 66 0 - 5.8-11.2 HD3 LYS 94 - HD2 LYS 24 far 0 91 0 - 5.9-11.7 HG3 LYS 12 - HD3 LYS 13 far 0 96 0 - 6.1-8.9 HG2 ARG 19 - HG12 ILE 15 far 0 65 0 - 6.4-8.7 HG LEU 27 - HD2 LYS 24 far 0 91 0 - 6.5-9.9 HG3 LYS 90 - HD3 LYS 13 far 0 93 0 - 6.7-14.1 HG LEU 27 - HD3 LYS 24 far 0 92 0 - 6.8-9.5 HG3 LYS 90 - HD2 LYS 13 far 0 94 0 - 6.9-13.4 HG3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.2-8.4 HG3 LYS 90 - HD3 LYS 24 far 0 89 0 - 7.5-13.4 HG2 ARG 19 - HD2 LYS 12 far 0 99 0 - 7.6-10.5 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 74 0 - 8.4-18.4 HG2 ARG 19 - HD3 LYS 90 far 0 65 0 - 8.4-13.6 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 63 0 - 8.5-10.7 HG3 LYS 90 - HD2 LYS 24 far 0 89 0 - 8.6-13.7 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 8.6-10.0 HG2 LYS 24 - HD2 LYS 20 far 0 71 0 - 8.7-11.2 HG3 LYS 90 - HG12 ILE 15 far 0 65 0 - 8.8-11.9 HG2 ARG 19 - HD3 LYS 12 far 0 99 0 - 8.9-11.9 HB3 LEU 29 - HD3 LYS 20 far 0 65 0 - 9.2-10.9 HB2 ARG 30 - HG12 ILE 15 far 0 65 0 - 9.2-10.6 HG LEU 103 - HB3 ARG 91 far 0 72 0 - 9.3-19.5 HD2 LYS 94 - HD3 LYS 20 far 0 43 0 - 9.4-13.3 HG2 LYS 24 - HD3 LYS 90 far 0 65 0 - 9.6-13.0 HG3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.6-13.3 HD3 LYS 94 - HD3 LYS 20 far 0 65 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 49 0 - 9.8-13.6 HB3 LEU 29 - HD3 LYS 90 far 0 67 0 - 9.8-12.0 HB3 LEU 29 - HD2 LYS 24 far 0 92 0 - 9.9-12.9 HG2 ARG 19 - HD3 LYS 13 far 0 94 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 443 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 * HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 92 92 - 100 HD2 LYS 24 + HD2 LYS 24 OK 91 91 - 100 HB3 ARG 91 + HB3 ARG 91 OK 67 67 - 100 HD3 LYS 90 + HD3 LYS 90 OK 67 67 - 100 HG12 ILE 15 + HG12 ILE 15 OK 66 66 - 100 HD3 LYS 47 + HD3 LYS 47 OK 64 64 - 100 HD2 LYS 47 + HD2 LYS 47 OK 61 61 - 100 HD2 LYS 20 + HD2 LYS 20 OK 58 58 - 100 HD3 LYS 20 + HD3 LYS 20 OK 48 48 - 100 Peak 444 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 92 92 - 100 HD2 LYS 24 + HD2 LYS 24 OK 91 91 - 100 HB3 ARG 91 + HB3 ARG 91 OK 67 67 - 100 HD3 LYS 90 + HD3 LYS 90 OK 67 67 - 100 HG12 ILE 15 + HG12 ILE 15 OK 66 66 - 100 HD3 LYS 47 + HD3 LYS 47 OK 64 64 - 100 HD2 LYS 47 + HD2 LYS 47 OK 61 61 - 100 HD2 LYS 20 + HD2 LYS 20 OK 58 58 - 100 HD3 LYS 20 + HD3 LYS 20 OK 48 48 - 100 Reference assignment not found: HD3 LYS 12 - HD2 LYS 12 Peak 445 from cnoeabs.peaks (3.01, 1.70, 29.09 ppm; 3.22 A): 9 out of 29 assignments used, quality = 1.00: * HE2 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 11 + HD2 LYS 13 OK 52 92 100 56 2.4-4.7 423/3.0=17, 8366/3.0=11...(13) HB3 ASP 11 + HD3 LYS 13 OK 52 92 100 56 2.3-3.8 423/3.0=17, 8366/3.0=11...(13) HB2 SER 9 + HG12 ILE 15 OK 51 61 95 89 2.7-4.7 8444/1.8=26, ~10417=21...(21) HE2 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.9-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.9-3.0 3.0=100 HB3 ASP 11 - HG12 ILE 15 far 6 63 10 - 4.6-6.0 HE2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.8-9.1 HE3 LYS 33 - HD3 LYS 12 far 0 98 0 - 5.9-12.8 HB2 SER 9 - HD2 LYS 13 far 0 89 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 89 0 - 6.5-8.8 HE3 LYS 33 - HD2 LYS 12 far 0 98 0 - 6.5-11.2 HE2 LYS 33 - HD2 LYS 12 far 0 98 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 58 0 - 6.9-10.1 HE2 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.9-12.0 HE2 LYS 33 - HG12 ILE 15 far 0 63 0 - 7.1-10.3 HB3 ASP 11 - HD2 LYS 12 far 0 98 0 - 7.2-7.9 HE3 LYS 33 - HG12 ILE 15 far 0 63 0 - 7.5-10.6 HB3 ASP 11 - HD3 LYS 12 far 0 98 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 96 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 56 0 - 7.9-10.2 HB2 SER 9 - HD3 LYS 12 far 0 96 0 - 8.4-11.6 HE2 LYS 12 - HD3 LYS 13 far 0 96 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 96 0 - 8.8-11.4 HB3 ASP 11 - HD3 LYS 90 far 0 62 0 - 9.3-12.0 HE2 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 446 from cnoeabs.peaks (2.96, 1.70, 29.09 ppm; 3.05 A): 18 out of 73 assignments used, quality = 1.00: * HE3 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 95 95 100 100 2.2-3.0 2.9=100 HE2 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.2-2.9 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 95 95 100 100 2.3-3.0 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.2-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.6-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.6-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.9-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.9-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 46 46 100 100 2.6-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 37 50 95 78 2.7-4.7 ~10417=19, 8444/1.8=18...(17) HB3 ASP 11 + HD3 LYS 13 OK 30 72 100 41 2.3-3.8 ~8363=8, 8366/3.0=7...(13) HB3 ASP 11 + HD2 LYS 13 OK 28 72 95 41 2.4-4.7 ~8363=8, 8366/3.0=7...(13) HG2 MET 21 - HD3 LYS 90 poor 18 51 35 - 3.7-7.8 HE3 LYS 90 - HD2 LYS 20 far 3 50 5 - 4.4-9.9 HB3 ASP 11 - HG12 ILE 15 far 0 46 0 - 4.6-6.0 HE3 LYS 90 - HD3 LYS 13 far 0 72 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 72 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 44 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 53 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 59 0 - 6.2-8.9 HE3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.2-9.4 HG2 MET 21 - HD2 LYS 20 far 0 55 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 49 0 - 6.6-9.1 HE3 LYS 13 - HD3 LYS 90 far 0 66 0 - 6.6-12.7 HB2 ASN 10 - HD3 LYS 12 far 0 63 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 74 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 57 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 73 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 65 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 74 0 - 7.0-9.9 HB3 ASP 11 - HD2 LYS 12 far 0 79 0 - 7.2-7.9 HE2 LYS 13 - HD3 LYS 90 far 0 66 0 - 7.3-12.5 HB2 ASN 10 - HG12 ILE 15 far 0 36 0 - 7.4-8.6 HB2 ASN 10 - HD2 LYS 12 far 0 63 0 - 7.5-10.4 HE2 LYS 24 - HD3 LYS 20 far 0 65 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 72 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 57 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 79 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 84 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 63 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 96 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 96 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 100 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 100 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 67 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 84 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 100 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 100 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 72 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 46 0 - 8.7-13.2 HE2 LYS 24 - HD3 LYS 90 far 0 67 0 - 8.7-14.4 HE3 LYS 24 - HD3 LYS 90 far 0 67 0 - 8.8-14.7 HE3 LYS 13 - HG12 ILE 15 far 0 66 0 - 9.0-10.6 HE3 LYS 13 - HD3 LYS 20 far 0 64 0 - 9.0-13.2 HE2 LYS 13 - HG12 ILE 15 far 0 67 0 - 9.1-9.9 HE3 LYS 24 - HD3 LYS 20 far 0 65 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 71 0 - 9.2-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 46 0 - 9.3-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 72 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 67 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 76 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 72 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 78 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 64 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 447 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.53 A): 7 out of 31 assignments used, quality = 1.00: H LYS 13 + HD2 LYS 13 OK 95 96 100 99 2.6-4.3 6177/3.0=52, 2.9/487=28...(35) H LYS 13 + HD3 LYS 13 OK 95 96 100 99 3.0-4.5 6177/3.0=52, 6175/3.6=28...(35) H ILE 15 + HG12 ILE 15 OK 67 68 100 100 2.5-2.9 669/1.8=63, 4.6=44...(24) H GLU 17 + HD2 LYS 20 OK 50 68 95 77 3.4-5.4 6219=21, 6250/12058=13...(27) H LYS 90 + HD3 LYS 90 OK 45 46 100 99 2.3-4.4 7422=47, 3.0/3918=42...(23) H ILE 15 + HD2 LYS 13 OK 36 96 70 54 4.6-6.7 517/3.0=13, 6208/5.5=12...(13) H ILE 15 + HD3 LYS 13 OK 21 96 40 54 4.7-6.7 517/3.0=13, 6208/5.5=12...(13) H GLU 17 - HD3 LYS 20 poor 17 61 40 70 3.4-6.1 6219/1.8=18, 425/2.8=10...(25) ! H LYS 13 - HD2 LYS 12 far 15 100 15 - 4.4-5.8 H LYS 13 - HD3 LYS 12 far 10 100 10 - 4.7-6.4 H GLU 17 - HD3 LYS 90 far 6 63 10 - 4.9-8.6 H ILE 15 - HD2 LYS 12 far 5 100 5 - 5.0-6.5 H LYS 90 - HB3 ARG 91 far 3 53 5 - 4.8-6.2 H GLU 17 - HD2 LYS 13 far 0 92 0 - 5.4-8.3 H GLU 17 - HD3 LYS 13 far 0 92 0 - 5.5-8.5 H GLU 17 - HD2 LYS 12 far 0 98 0 - 6.1-8.8 H ILE 15 - HD3 LYS 12 far 0 100 0 - 6.1-7.8 H LYS 13 - HG12 ILE 15 far 0 68 0 - 6.1-6.7 H GLU 17 - HD3 LYS 12 far 0 98 0 - 6.3-10.4 H GLU 17 - HG12 ILE 15 far 0 64 0 - 6.5-6.8 H LYS 90 - HD2 LYS 13 far 0 72 0 - 7.3-12.1 H LYS 90 - HD3 LYS 13 far 0 72 0 - 7.4-12.5 H ILE 15 - HD3 LYS 90 far 0 67 0 - 7.5-11.1 H LYS 90 - HD2 LYS 20 far 0 50 0 - 7.6-10.5 H ILE 15 - HD2 LYS 20 far 0 73 0 - 7.6-9.8 H ILE 15 - HD3 LYS 20 far 0 65 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 44 0 - 7.9-10.9 H LYS 90 - HG12 ILE 15 far 0 46 0 - 8.3-9.1 H LYS 13 - HD2 LYS 20 far 0 73 0 - 8.8-10.9 H LYS 13 - HD3 LYS 20 far 0 65 0 - 8.8-12.1 H LYS 13 - HD3 LYS 90 far 0 67 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 448 from cnoeabs.peaks (8.56, 1.70, 29.09 ppm; 5.57 A): 5 out of 7 assignments used, quality = 1.00: H LYS 12 + HD2 LYS 12 OK 100 100 100 100 3.8-4.9 6155/3.0=96, 6.2=73...(21) * H LYS 12 + HD3 LYS 12 OK 100 100 100 100 4.2-5.9 6155/3.0=96, 6.2=73...(20) H LYS 12 + HD2 LYS 13 OK 84 96 100 87 4.4-6.6 6163/6.0=59, 6154/3.0=42...(9) H LYS 12 + HD3 LYS 13 OK 84 96 100 87 4.2-6.7 6163/6.0=59, 6154/3.0=42...(9) H LYS 12 + HG12 ILE 15 OK 68 68 100 100 5.5-6.3 8380/2.1=97, ~8446=73...(18) H VAL 58 - HG12 ILE 15 far 0 57 0 - 8.3-9.2 H GLN 50 - HD3 LYS 47 far 0 68 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 449 from cnoeabs.peaks (3.85, 1.70, 29.09 ppm; 4.12 A): 5 out of 29 assignments used, quality = 1.00: HA LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.7-3.1 384/3.0=75, 5.2=51...(46) * HA LYS 12 + HD3 LYS 12 OK 100 100 100 100 3.4-4.5 384/3.0=75, 5.2=51...(44) HA LYS 12 + HG12 ILE 15 OK 68 68 100 100 4.3-4.7 8446/2.1=83, 644/2.9=71...(21) HA ARG 91 + HB3 ARG 91 OK 47 47 100 100 2.4-3.0 3.0=100 HA ARG 91 + HD3 LYS 90 OK 26 41 65 97 3.4-6.3 ~7437=43, 3.0/7438=38...(21) HA GLU 43 - HD3 LYS 47 far 5 53 10 - 5.0-7.9 HA GLU 43 - HD2 LYS 47 far 5 51 10 - 5.5-8.4 HA ALA 22 - HD2 LYS 24 far 0 69 0 - 5.8-8.9 HA ALA 22 - HD3 LYS 24 far 0 69 0 - 5.9-8.3 HA LYS 94 - HD2 LYS 24 far 0 88 0 - 5.9-9.8 HA LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-7.2 HA LYS 12 - HD3 LYS 13 far 0 96 0 - 6.1-7.2 HA LYS 94 - HD3 LYS 24 far 0 89 0 - 6.3-10.5 HA LYS 40 - HD3 LYS 47 far 0 71 0 - 6.9-10.7 HA LYS 94 - HB3 ARG 91 far 0 73 0 - 7.1-8.7 HA LYS 40 - HD2 LYS 47 far 0 69 0 - 7.6-10.9 HB3 SER 49 - HD3 LYS 47 far 0 74 0 - 8.1-10.9 HA LYS 12 - HD2 LYS 20 far 0 73 0 - 8.7-11.3 HA LYS 94 - HD3 LYS 90 far 0 64 0 - 8.7-10.8 HB3 SER 49 - HD2 LYS 47 far 0 72 0 - 8.8-11.8 HA LYS 12 - HD3 LYS 20 far 0 65 0 - 8.9-12.3 HA ARG 91 - HD2 LYS 24 far 0 60 0 - 9.1-13.6 HA ALA 22 - HD2 LYS 20 far 0 51 0 - 9.1-10.7 HA SER 97 - HD2 LYS 24 far 0 51 0 - 9.1-13.9 HA ARG 91 - HD3 LYS 24 far 0 61 0 - 9.2-14.0 HA ARG 91 - HD2 LYS 20 far 0 45 0 - 9.5-13.2 HA SER 97 - HD3 LYS 24 far 0 52 0 - 9.7-13.3 HA ALA 22 - HD3 LYS 90 far 0 47 0 - 9.7-11.2 HA ALA 22 - HD3 LYS 20 far 0 45 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 450 from cnoeabs.peaks (1.86, 1.70, 29.09 ppm; 3.05 A): 9 out of 53 assignments used, quality = 1.00: HB2 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.0-2.9 3.6=62, 3.0/387=14...(77) * HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.6 3.6=62, 3.0/387=14...(75) HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 3.4-3.9 3.6=62, 3.0/387=14...(76) HB3 LYS 12 + HD3 LYS 12 OK 99 100 100 99 3.2-4.2 3.6=62, 3.0/387=14...(75) HB2 LYS 20 + HD2 LYS 20 OK 54 55 100 97 2.4-3.6 3.5=65, 1.8/2153=11...(68) HB2 LYS 20 + HD3 LYS 20 OK 48 49 100 97 2.5-3.7 3.5=65, 1.8/2153=11...(68) HB3 LYS 90 + HD3 LYS 90 OK 44 44 100 99 2.9-3.9 3.6=60, 3.0/3918=30...(48) HB3 LEU 14 + HD2 LYS 13 OK 28 55 85 60 2.9-6.1 3.1/10406=9, ~245=7...(23) HB3 LEU 14 + HD3 LYS 13 OK 28 55 85 60 3.1-5.8 3.1/10406=9, ~245=7...(23) HB3 LEU 14 - HG12 ILE 15 poor 19 34 95 57 4.1-4.7 4.4/6219=13...(17) HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 4.4-7.4 HB2 ARG 19 - HD2 LYS 20 poor 9 51 55 33 3.3-7.1 797/5.9=10, 788/5.3=5...(12) HB3 GLU 104 - HB3 ARG 91 far 4 75 5 - 4.0-18.0 HG2 ARG 46 - HD3 LYS 47 far 4 37 10 - 4.3-8.5 HG2 ARG 46 - HD2 LYS 47 far 0 36 0 - 4.6-9.3 HB2 ARG 19 - HD3 LYS 20 far 0 45 0 - 4.6-7.0 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.2-7.6 HB3 LYS 90 - HD2 LYS 20 far 0 49 0 - 5.3-8.5 HB3 LYS 90 - HD3 LYS 20 far 0 43 0 - 5.7-8.9 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.4 HB2 LYS 20 - HD3 LYS 24 far 0 74 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 73 0 - 6.2-9.8 HB3 LYS 90 - HB3 ARG 91 far 0 52 0 - 6.2-7.3 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.1 HB2 ARG 19 - HG12 ILE 15 far 0 48 0 - 6.5-8.8 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 6.7-8.4 HB2 ARG 19 - HD2 LYS 12 far 0 81 0 - 6.7-10.2 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.0-7.6 HB3 LEU 14 - HD3 LYS 90 far 0 34 0 - 7.1-10.1 HB3 LYS 90 - HD3 LYS 24 far 0 66 0 - 7.1-11.6 HB ILE 8 - HG12 ILE 15 far 0 44 0 - 7.2-7.8 HB3 LEU 14 - HD2 LYS 12 far 0 61 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 81 0 - 7.4-11.7 HB2 ARG 19 - HD3 LYS 90 far 0 47 0 - 7.9-11.7 HB3 LEU 14 - HD3 LYS 12 far 0 61 0 - 8.1-9.7 HB3 LYS 90 - HD3 LYS 13 far 0 70 0 - 8.3-14.1 HB3 LYS 90 - HD2 LYS 24 far 0 65 0 - 8.3-11.8 HB2 LYS 20 - HD3 LYS 90 far 0 51 0 - 8.3-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.6-12.2 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.7-13.0 HB3 LYS 90 - HD2 LYS 13 far 0 70 0 - 8.8-13.5 HB3 LYS 90 - HG12 ILE 15 far 0 45 0 - 9.1-11.3 HB3 LYS 39 - HD3 LYS 47 far 0 74 0 - 9.1-14.0 HB3 LYS 39 - HD2 LYS 47 far 0 72 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 33 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 37 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.3-12.8 HB2 LYS 20 - HD3 LYS 12 far 0 85 0 - 9.5-15.0 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.5-13.8 HB2 LYS 20 - HD2 LYS 12 far 0 85 0 - 9.6-13.5 HB VAL 5 - HG12 ILE 15 far 0 68 0 - 9.8-10.6 HB2 ARG 19 - HD2 LYS 13 far 0 73 0 - 9.9-14.3 HB3 GLU 104 - HD3 LYS 90 far 0 66 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 451 from cnoeabs.peaks (1.87, 1.70, 29.09 ppm; 3.05 A): 10 out of 53 assignments used, quality = 1.00: HB2 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.0-2.9 3.6=62, 3.0/387=14...(77) HB3 LYS 12 + HD2 LYS 12 OK 99 100 100 99 3.4-3.9 3.6=62, 3.0/387=14...(76) HB2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.1-3.6 3.6=62, 3.0/387=14...(75) * HB3 LYS 12 + HD3 LYS 12 OK 99 100 100 99 3.2-4.2 3.6=62, 3.0/387=14...(75) HB2 LYS 20 + HD2 LYS 20 OK 56 58 100 97 2.4-3.6 3.5=65, 1.8/2153=11...(68) HB2 LYS 20 + HD3 LYS 20 OK 50 51 100 97 2.5-3.7 3.5=65, 1.8/2153=11...(68) HB3 LYS 90 + HD3 LYS 90 OK 41 42 100 99 2.9-3.9 3.6=60, 3.0/3918=30...(48) HB3 LEU 14 + HD2 LYS 13 OK 30 59 85 61 2.9-6.1 3.1/10406=9, ~245=7...(23) HB3 LEU 14 + HD3 LYS 13 OK 30 59 85 61 3.1-5.8 3.1/10406=9, ~245=7...(23) HB3 LEU 14 + HG12 ILE 15 OK 20 37 95 58 4.1-4.7 4.4/6219=13...(17) HB2 ARG 19 - HD2 LYS 20 poor 10 54 55 34 3.3-7.1 797/5.9=10, 788/5.3=5...(12) HB3 LYS 12 - HD2 LYS 13 far 10 96 10 - 4.4-7.4 HB2 GLU 43 - HD2 LYS 47 poor 9 34 25 - 4.0-7.7 HB2 GLU 43 - HD3 LYS 47 far 5 36 15 - 3.5-7.5 HB3 GLU 104 - HB3 ARG 91 far 4 76 5 - 4.0-18.0 HB2 ARG 19 - HD3 LYS 20 far 0 48 0 - 4.6-7.0 HB3 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.2-7.6 HB3 LYS 90 - HD2 LYS 20 far 0 46 0 - 5.3-8.5 HB3 LYS 90 - HD3 LYS 20 far 0 40 0 - 5.7-8.9 HB2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.4 HB2 LYS 20 - HD3 LYS 24 far 0 77 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 76 0 - 6.2-9.8 HB3 LYS 90 - HB3 ARG 91 far 0 49 0 - 6.2-7.3 HB2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.4-7.1 HB2 ARG 19 - HG12 ILE 15 far 0 50 0 - 6.5-8.8 HB2 LYS 12 - HD3 LYS 13 far 0 96 0 - 6.7-8.4 HB2 ARG 19 - HD2 LYS 12 far 0 84 0 - 6.7-10.2 HB3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.0-7.6 HB3 LEU 14 - HD3 LYS 90 far 0 37 0 - 7.1-10.1 HB3 LYS 90 - HD3 LYS 24 far 0 62 0 - 7.1-11.6 HB ILE 8 - HG12 ILE 15 far 0 46 0 - 7.2-7.8 HB3 LEU 14 - HD2 LYS 12 far 0 65 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 84 0 - 7.4-11.7 HB2 ARG 19 - HD3 LYS 90 far 0 49 0 - 7.9-11.7 HB3 LEU 14 - HD3 LYS 12 far 0 65 0 - 8.1-9.7 HB3 LYS 90 - HD3 LYS 13 far 0 66 0 - 8.3-14.1 HB3 LYS 90 - HD2 LYS 24 far 0 62 0 - 8.3-11.8 HB2 LYS 20 - HD3 LYS 90 far 0 53 0 - 8.3-10.9 HB2 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.6-12.2 HB2 LYS 12 - HD3 LYS 20 far 0 65 0 - 8.7-13.0 HB3 LYS 90 - HD2 LYS 13 far 0 66 0 - 8.8-13.5 HB3 LYS 90 - HG12 ILE 15 far 0 42 0 - 9.1-11.3 HB3 LYS 39 - HD3 LYS 47 far 0 74 0 - 9.1-14.0 HB3 LYS 39 - HD2 LYS 47 far 0 72 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 35 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 40 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.3-12.8 HB2 LYS 20 - HD3 LYS 12 far 0 88 0 - 9.5-15.0 HB3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.5-13.8 HB2 LYS 20 - HD2 LYS 12 far 0 88 0 - 9.6-13.5 HB VAL 5 - HG12 ILE 15 far 0 67 0 - 9.8-10.6 HB2 ARG 19 - HD2 LYS 13 far 0 77 0 - 9.9-14.3 HB3 GLU 104 - HD3 LYS 90 far 0 67 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 452 from cnoeabs.peaks (1.45, 1.70, 29.09 ppm; 2.83 A): 9 out of 58 assignments used, quality = 1.00: HG2 LYS 12 + HD2 LYS 12 OK 99 100 100 99 2.3-3.0 3.0=85, 463/3.0=33...(66) * HG2 LYS 12 + HD3 LYS 12 OK 99 100 100 99 2.3-3.0 3.0=85, 463/3.0=33...(64) HG2 LYS 13 + HD2 LYS 13 OK 89 90 100 99 2.3-2.7 3.0=88, 3.9/487=13...(63) HG2 LYS 13 + HD3 LYS 13 OK 89 90 100 99 2.3-2.7 3.0=88, 518/5.5=12...(63) HG3 ARG 91 + HB3 ARG 91 OK 74 75 100 99 2.4-3.0 2.8=97, 7445/3.9=17...(10) HG2 LYS 20 + HD2 LYS 20 OK 68 68 100 100 2.4-2.6 2.8=97, 882/5.9=10...(72) HG2 LYS 20 + HD3 LYS 20 OK 61 61 100 100 2.3-3.0 2.8=97, 882/5.9=10...(74) HG12 ILE 7 + HG12 ILE 15 OK 43 56 90 86 2.7-4.5 ~8469=21, ~10118=20...(28) HG3 ARG 91 + HD3 LYS 90 OK 32 66 85 58 2.1-4.9 4056=12, 1.8/4047=12...(15) HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.3-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 63 0 - 5.7-10.7 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.5 HG2 LYS 13 - HG12 ILE 15 far 0 61 0 - 6.1-6.7 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-7.5 HG2 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.2-8.3 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.4-8.2 HG LEU 29 - HG12 ILE 15 far 0 65 0 - 6.4-8.1 HG2 LYS 20 - HD3 LYS 24 far 0 88 0 - 6.6-11.6 QB ALA 22 - HD2 LYS 24 far 0 89 0 - 6.7-8.9 QB ALA 22 - HD3 LYS 24 far 0 89 0 - 6.7-8.6 QB ALA 22 - HD2 LYS 20 far 0 70 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 70 0 - 7.2-11.2 HB2 LEU 27 - HD3 LYS 24 far 0 88 0 - 7.5-10.8 HG2 LYS 20 - HD2 LYS 24 far 0 88 0 - 7.6-10.9 HG LEU 29 - HD3 LYS 20 far 0 62 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 62 0 - 7.8-8.7 HG12 ILE 7 - HD2 LYS 13 far 0 84 0 - 7.9-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 88 0 - 8.0-11.5 QB ALA 22 - HD3 LYS 90 far 0 64 0 - 8.1-9.7 HG12 ILE 7 - HD3 LYS 13 far 0 84 0 - 8.1-11.4 HD2 LYS 40 - HD3 LYS 47 far 0 64 0 - 8.1-11.9 HG13 ILE 76 - HD3 LYS 47 far 0 72 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 70 0 - 8.4-11.3 HG2 LYS 13 - HD3 LYS 90 far 0 61 0 - 8.5-11.8 HG12 ILE 7 - HD3 LYS 90 far 0 55 0 - 8.6-11.6 QB ALA 22 - HG12 ILE 15 far 0 65 0 - 8.6-9.9 HD2 LYS 40 - HD2 LYS 47 far 0 62 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 71 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 63 0 - 8.8-13.2 HG2 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.0-12.7 HG LEU 29 - HD3 LYS 90 far 0 64 0 - 9.1-12.9 HG2 LYS 20 - HD2 LYS 12 far 0 98 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 66 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 59 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 91 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 98 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 74 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 61 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 92 0 - 9.5-13.3 HG3 ARG 91 - HD2 LYS 13 far 0 95 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 64 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 92 0 - 9.5-12.9 HG2 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.6-13.2 HG3 ARG 91 - HD3 LYS 13 far 0 95 0 - 9.6-14.4 HG3 LYS 39 - HD2 LYS 47 far 0 72 0 - 9.6-16.2 HG LEU 29 - HD2 LYS 12 far 0 99 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 64 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 453 from cnoeabs.peaks (1.59, 1.70, 29.09 ppm; 2.41 A): 7 out of 51 assignments used, quality = 1.00: HG3 LYS 12 + HD2 LYS 12 OK 93 100 100 93 2.6-3.0 3.0=53, 464/3.0=22...(47) * HG3 LYS 12 + HD3 LYS 12 OK 93 100 100 93 2.2-2.7 3.0=53, 464/3.0=22...(46) HG2 LYS 24 + HD3 LYS 24 OK 81 91 100 90 2.2-2.9 3.0=55, 1091/1.8=9...(49) HG2 LYS 24 + HD2 LYS 24 OK 81 90 100 90 2.2-3.0 3.0=55, 1091/1.8=9...(48) HG3 LYS 90 + HD3 LYS 90 OK 57 64 100 89 2.2-3.0 2.9=55, 7420/7422=16...(24) HG3 LYS 47 + HD3 LYS 47 OK 48 53 100 91 2.3-3.0 3.0=54, 2175/1.8=9...(61) HG3 LYS 47 + HD2 LYS 47 OK 46 51 100 91 2.3-3.0 3.0=54, 2175/1.8=9...(60) HG2 ARG 19 - HD3 LYS 20 far 0 63 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 76 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 70 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.3-8.9 HD2 LYS 94 - HD3 LYS 90 far 0 44 0 - 4.7-11.5 HG3 LYS 90 - HD3 LYS 20 far 0 62 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 74 0 - 5.2-8.3 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 5.6-10.7 HG3 LYS 90 - HD2 LYS 20 far 0 70 0 - 5.6-9.0 HD2 LYS 94 - HD2 LYS 24 far 0 65 0 - 5.6-10.7 HG3 LYS 12 - HD2 LYS 13 far 0 96 0 - 5.7-8.8 HD3 LYS 94 - HD3 LYS 24 far 0 92 0 - 5.8-12.1 HD2 LYS 94 - HD3 LYS 24 far 0 66 0 - 5.8-11.2 HD3 LYS 94 - HD2 LYS 24 far 0 91 0 - 5.9-11.7 HG3 LYS 12 - HD3 LYS 13 far 0 96 0 - 6.1-8.9 HG2 ARG 19 - HG12 ILE 15 far 0 65 0 - 6.4-8.7 HG LEU 27 - HD2 LYS 24 far 0 91 0 - 6.5-9.9 HG3 LYS 90 - HD3 LYS 13 far 0 93 0 - 6.7-14.1 HG LEU 27 - HD3 LYS 24 far 0 92 0 - 6.8-9.5 HG3 LYS 90 - HD2 LYS 13 far 0 94 0 - 6.9-13.4 HG3 LYS 12 - HG12 ILE 15 far 0 68 0 - 7.2-8.4 HG3 LYS 90 - HD3 LYS 24 far 0 89 0 - 7.5-13.4 HG2 ARG 19 - HD2 LYS 12 far 0 99 0 - 7.6-10.5 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 74 0 - 8.4-18.4 HG2 ARG 19 - HD3 LYS 90 far 0 65 0 - 8.4-13.6 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 63 0 - 8.5-10.7 HG3 LYS 90 - HD2 LYS 24 far 0 89 0 - 8.6-13.7 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 8.6-10.0 HG2 LYS 24 - HD2 LYS 20 far 0 71 0 - 8.7-11.2 HG3 LYS 90 - HG12 ILE 15 far 0 65 0 - 8.8-11.9 HG2 ARG 19 - HD3 LYS 12 far 0 99 0 - 8.9-11.9 HB3 LEU 29 - HD3 LYS 20 far 0 65 0 - 9.2-10.9 HB2 ARG 30 - HG12 ILE 15 far 0 65 0 - 9.2-10.6 HG LEU 103 - HB3 ARG 91 far 0 72 0 - 9.3-19.5 HD2 LYS 94 - HD3 LYS 20 far 0 43 0 - 9.4-13.3 HG2 LYS 24 - HD3 LYS 90 far 0 65 0 - 9.6-13.0 HG3 LYS 12 - HD3 LYS 20 far 0 65 0 - 9.6-13.3 HD3 LYS 94 - HD3 LYS 20 far 0 65 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 49 0 - 9.8-13.6 HB3 LEU 29 - HD3 LYS 90 far 0 67 0 - 9.8-12.0 HB3 LEU 29 - HD2 LYS 24 far 0 92 0 - 9.9-12.9 HG2 ARG 19 - HD3 LYS 13 far 0 94 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 454 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 92 92 - 100 HD2 LYS 24 + HD2 LYS 24 OK 91 91 - 100 HB3 ARG 91 + HB3 ARG 91 OK 67 67 - 100 HD3 LYS 90 + HD3 LYS 90 OK 67 67 - 100 HG12 ILE 15 + HG12 ILE 15 OK 66 66 - 100 HD3 LYS 47 + HD3 LYS 47 OK 64 64 - 100 HD2 LYS 47 + HD2 LYS 47 OK 61 61 - 100 HD2 LYS 20 + HD2 LYS 20 OK 58 58 - 100 HD3 LYS 20 + HD3 LYS 20 OK 48 48 - 100 Reference assignment not found: HD2 LYS 12 - HD3 LYS 12 Peak 455 from cnoeabs.peaks (1.70, 1.70, 29.09 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: * HD3 LYS 12 + HD3 LYS 12 OK 100 100 - 100 HD2 LYS 12 + HD2 LYS 12 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 96 96 - 100 HD3 LYS 13 + HD3 LYS 13 OK 96 96 - 100 HD3 LYS 24 + HD3 LYS 24 OK 92 92 - 100 HD2 LYS 24 + HD2 LYS 24 OK 91 91 - 100 HB3 ARG 91 + HB3 ARG 91 OK 67 67 - 100 HD3 LYS 90 + HD3 LYS 90 OK 67 67 - 100 HG12 ILE 15 + HG12 ILE 15 OK 66 66 - 100 HD3 LYS 47 + HD3 LYS 47 OK 64 64 - 100 HD2 LYS 47 + HD2 LYS 47 OK 61 61 - 100 HD2 LYS 20 + HD2 LYS 20 OK 58 58 - 100 HD3 LYS 20 + HD3 LYS 20 OK 48 48 - 100 Peak 456 from cnoeabs.peaks (3.01, 1.70, 29.09 ppm; 3.22 A): 9 out of 29 assignments used, quality = 1.00: HE2 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 * HE2 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.5-3.0 3.0=100 HB3 ASP 11 + HD2 LYS 13 OK 52 92 100 56 2.4-4.7 423/3.0=17, 8366/3.0=11...(13) HB3 ASP 11 + HD3 LYS 13 OK 52 92 100 56 2.3-3.8 423/3.0=17, 8366/3.0=11...(13) HB2 SER 9 + HG12 ILE 15 OK 51 61 95 89 2.7-4.7 8444/1.8=26, ~10417=21...(21) HE2 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 46 46 100 100 2.9-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.9-3.0 3.0=100 HB3 ASP 11 - HG12 ILE 15 far 6 63 10 - 4.6-6.0 HE2 LYS 12 - HG12 ILE 15 far 0 68 0 - 5.8-9.1 HE3 LYS 33 - HD3 LYS 12 far 0 98 0 - 5.9-12.8 HB2 SER 9 - HD2 LYS 13 far 0 89 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 89 0 - 6.5-8.8 HE3 LYS 33 - HD2 LYS 12 far 0 98 0 - 6.5-11.2 HE2 LYS 33 - HD2 LYS 12 far 0 98 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 58 0 - 6.9-10.1 HE2 LYS 33 - HD3 LYS 12 far 0 98 0 - 6.9-12.0 HE2 LYS 33 - HG12 ILE 15 far 0 63 0 - 7.1-10.3 HB3 ASP 11 - HD2 LYS 12 far 0 98 0 - 7.2-7.9 HE3 LYS 33 - HG12 ILE 15 far 0 63 0 - 7.5-10.6 HB3 ASP 11 - HD3 LYS 12 far 0 98 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 96 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 56 0 - 7.9-10.2 HB2 SER 9 - HD3 LYS 12 far 0 96 0 - 8.4-11.6 HE2 LYS 12 - HD3 LYS 13 far 0 96 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 96 0 - 8.8-11.4 HB3 ASP 11 - HD3 LYS 90 far 0 62 0 - 9.3-12.0 HE2 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 457 from cnoeabs.peaks (2.96, 1.70, 29.09 ppm; 3.05 A): 18 out of 73 assignments used, quality = 1.00: HE3 LYS 12 + HD2 LYS 12 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 12 + HD3 LYS 12 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 95 95 100 100 2.2-3.0 2.9=100 HE2 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.2-2.9 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 95 95 100 100 2.3-3.0 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 95 95 100 100 2.2-3.0 2.9=100 HE2 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 92 92 100 100 2.6-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 92 92 100 100 2.6-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 72 72 100 100 2.9-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 70 70 100 100 2.9-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 46 46 100 100 2.6-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 37 50 95 78 2.7-4.7 ~10417=19, 8444/1.8=18...(17) HB3 ASP 11 + HD3 LYS 13 OK 30 72 100 41 2.3-3.8 ~8363=8, 8366/3.0=7...(13) HB3 ASP 11 + HD2 LYS 13 OK 28 72 95 41 2.4-4.7 ~8363=8, 8366/3.0=7...(13) HG2 MET 21 - HD3 LYS 90 poor 18 51 35 - 3.7-7.8 HE3 LYS 90 - HD2 LYS 20 far 3 50 5 - 4.4-9.9 HB3 ASP 11 - HG12 ILE 15 far 0 46 0 - 4.6-6.0 HE3 LYS 90 - HD3 LYS 13 far 0 72 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 72 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 44 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 53 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 59 0 - 6.2-8.9 HE3 LYS 12 - HG12 ILE 15 far 0 68 0 - 6.2-9.4 HG2 MET 21 - HD2 LYS 20 far 0 55 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 49 0 - 6.6-9.1 HE3 LYS 13 - HD3 LYS 90 far 0 66 0 - 6.6-12.7 HB2 ASN 10 - HD3 LYS 12 far 0 63 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 74 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 57 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 73 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 65 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 74 0 - 7.0-9.9 HB3 ASP 11 - HD2 LYS 12 far 0 79 0 - 7.2-7.9 HE2 LYS 13 - HD3 LYS 90 far 0 66 0 - 7.3-12.5 HB2 ASN 10 - HG12 ILE 15 far 0 36 0 - 7.4-8.6 HB2 ASN 10 - HD2 LYS 12 far 0 63 0 - 7.5-10.4 HE2 LYS 24 - HD3 LYS 20 far 0 65 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 72 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 57 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 79 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 84 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 63 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 96 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 96 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 100 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 100 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 67 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 84 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 100 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 100 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 72 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 46 0 - 8.7-13.2 HE2 LYS 24 - HD3 LYS 90 far 0 67 0 - 8.7-14.4 HE3 LYS 24 - HD3 LYS 90 far 0 67 0 - 8.8-14.7 HE3 LYS 13 - HG12 ILE 15 far 0 66 0 - 9.0-10.6 HE3 LYS 13 - HD3 LYS 20 far 0 64 0 - 9.0-13.2 HE2 LYS 13 - HG12 ILE 15 far 0 67 0 - 9.1-9.9 HE3 LYS 24 - HD3 LYS 20 far 0 65 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 71 0 - 9.2-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 46 0 - 9.3-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 72 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 73 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 67 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 76 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 72 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 78 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 64 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 458 from cnoeabs.peaks (8.07, 1.70, 29.09 ppm; 3.53 A): 7 out of 31 assignments used, quality = 1.00: H LYS 13 + HD2 LYS 13 OK 95 96 100 99 2.6-4.3 6177/3.0=52, 2.9/487=28...(35) H LYS 13 + HD3 LYS 13 OK 95 96 100 99 3.0-4.5 6177/3.0=52, 6175/3.6=28...(35) H ILE 15 + HG12 ILE 15 OK 67 68 100 100 2.5-2.9 669/1.8=63, 4.6=44...(24) H GLU 17 + HD2 LYS 20 OK 50 68 95 77 3.4-5.4 6219=21, 6250/12058=13...(27) H LYS 90 + HD3 LYS 90 OK 45 46 100 99 2.3-4.4 7422=47, 3.0/3918=42...(23) H ILE 15 + HD2 LYS 13 OK 36 96 70 54 4.6-6.7 517/3.0=13, 6208/5.5=12...(13) H ILE 15 + HD3 LYS 13 OK 21 96 40 54 4.7-6.7 517/3.0=13, 6208/5.5=12...(13) H GLU 17 - HD3 LYS 20 poor 17 61 40 70 3.4-6.1 6219/1.8=18, 425/2.8=10...(25) H LYS 13 - HD2 LYS 12 far 15 100 15 - 4.4-5.8 ! H LYS 13 - HD3 LYS 12 far 10 100 10 - 4.7-6.4 H GLU 17 - HD3 LYS 90 far 6 63 10 - 4.9-8.6 H ILE 15 - HD2 LYS 12 far 5 100 5 - 5.0-6.5 H LYS 90 - HB3 ARG 91 far 3 53 5 - 4.8-6.2 H GLU 17 - HD2 LYS 13 far 0 92 0 - 5.4-8.3 H GLU 17 - HD3 LYS 13 far 0 92 0 - 5.5-8.5 H GLU 17 - HD2 LYS 12 far 0 98 0 - 6.1-8.8 H ILE 15 - HD3 LYS 12 far 0 100 0 - 6.1-7.8 H LYS 13 - HG12 ILE 15 far 0 68 0 - 6.1-6.7 H GLU 17 - HD3 LYS 12 far 0 98 0 - 6.3-10.4 H GLU 17 - HG12 ILE 15 far 0 64 0 - 6.5-6.8 H LYS 90 - HD2 LYS 13 far 0 72 0 - 7.3-12.1 H LYS 90 - HD3 LYS 13 far 0 72 0 - 7.4-12.5 H ILE 15 - HD3 LYS 90 far 0 67 0 - 7.5-11.1 H LYS 90 - HD2 LYS 20 far 0 50 0 - 7.6-10.5 H ILE 15 - HD2 LYS 20 far 0 73 0 - 7.6-9.8 H ILE 15 - HD3 LYS 20 far 0 65 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 44 0 - 7.9-10.9 H LYS 90 - HG12 ILE 15 far 0 46 0 - 8.3-9.1 H LYS 13 - HD2 LYS 20 far 0 73 0 - 8.8-10.9 H LYS 13 - HD3 LYS 20 far 0 65 0 - 8.8-12.1 H LYS 13 - HD3 LYS 90 far 0 67 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 460 from cnoeabs.peaks (3.85, 3.01, 41.80 ppm; 4.90 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 12 + HE2 LYS 12 OK 100 100 100 100 3.1-5.0 384/463=83, 3.7/464=77...(35) HA LEU 38 - HE3 LYS 33 far 0 84 0 - 7.0-11.2 HA LEU 38 - HE2 LYS 33 far 0 84 0 - 7.1-11.3 HA LYS 12 - HE2 LYS 33 far 0 95 0 - 7.3-10.1 HA LYS 12 - HE3 LYS 33 far 0 95 0 - 7.5-10.8 HA GLU 35 - HE3 LYS 33 far 0 65 0 - 9.4-12.0 HA GLU 35 - HE2 LYS 33 far 0 65 0 - 9.8-11.8 Violated in 1 structures by 0.01 A. Peak 461 from cnoeabs.peaks (1.86, 3.01, 41.80 ppm; 4.58 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.0-4.6 4.8=86, 3.0/463=81...(73) HB3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.8-5.4 4.8=86, 3.0/463=81...(72) HB2 LYS 12 - HE2 LYS 33 far 0 95 0 - 7.4-10.8 HB ILE 8 - HE2 LYS 33 far 0 66 0 - 7.9-10.8 HB3 LEU 14 - HE2 LYS 12 far 0 61 0 - 7.9-10.4 HB3 LYS 12 - HE2 LYS 33 far 0 94 0 - 8.2-12.0 HB2 ARG 19 - HE2 LYS 12 far 0 81 0 - 8.4-12.1 HB2 LYS 12 - HE3 LYS 33 far 0 95 0 - 8.6-12.1 HB ILE 8 - HE3 LYS 33 far 0 66 0 - 9.1-10.8 HB3 LYS 12 - HE3 LYS 33 far 0 94 0 - 9.4-13.3 HB2 ARG 19 - HE2 LYS 33 far 0 72 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 462 from cnoeabs.peaks (1.87, 3.01, 41.80 ppm; 4.58 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.8-5.4 4.8=86, 3.0/463=81...(72) HB2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.0-4.6 4.8=86, 3.0/463=81...(73) HB2 LYS 12 - HE2 LYS 33 far 0 94 0 - 7.4-10.8 HB ILE 8 - HE2 LYS 33 far 0 70 0 - 7.9-10.8 HB3 LEU 14 - HE2 LYS 12 far 0 65 0 - 7.9-10.4 HB3 LYS 12 - HE2 LYS 33 far 0 95 0 - 8.2-12.0 HB2 ARG 19 - HE2 LYS 12 far 0 84 0 - 8.4-12.1 HB2 LYS 12 - HE3 LYS 33 far 0 94 0 - 8.6-12.1 HB ILE 8 - HE3 LYS 33 far 0 70 0 - 9.1-10.8 HB3 LYS 12 - HE3 LYS 33 far 0 95 0 - 9.4-13.3 HB2 ARG 19 - HE2 LYS 33 far 0 75 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 463 from cnoeabs.peaks (1.45, 3.01, 41.80 ppm; 3.65 A): 1 out of 16 assignments used, quality = 1.00: * HG2 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.0-3.7 4.0=78, 1.8/464=73...(85) HG2 LYS 12 - HE3 LYS 33 far 0 95 0 - 7.1-13.1 HG2 LYS 13 - HE2 LYS 12 far 0 96 0 - 7.2-9.3 HG2 LYS 12 - HE2 LYS 33 far 0 95 0 - 8.1-12.1 HG LEU 38 - HE3 LYS 33 far 0 89 0 - 8.4-12.7 HG LEU 29 - HE2 LYS 33 far 0 92 0 - 8.4-13.9 HD3 LYS 40 - HE3 LYS 33 far 0 83 0 - 8.6-14.0 HB2 LEU 38 - HE2 LYS 33 far 0 92 0 - 8.7-11.9 HG12 ILE 7 - HE2 LYS 33 far 0 82 0 - 8.7-12.1 HG LEU 38 - HE2 LYS 33 far 0 89 0 - 8.8-12.9 HB2 LEU 38 - HE3 LYS 33 far 0 92 0 - 8.9-12.0 HG LEU 29 - HE3 LYS 33 far 0 92 0 - 9.4-14.0 HD2 LYS 40 - HE3 LYS 33 far 0 84 0 - 9.5-15.5 HD2 LYS 40 - HE2 LYS 33 far 0 84 0 - 9.8-15.2 HG12 ILE 7 - HE3 LYS 33 far 0 82 0 - 9.9-12.0 HD3 LYS 40 - HE2 LYS 33 far 0 83 0 - 10.0-13.6 Violated in 2 structures by 0.01 A. Peak 464 from cnoeabs.peaks (1.59, 3.01, 41.80 ppm; 3.66 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 2.2-3.8 4.0=79, 1.8/463=74...(51) HB2 ARG 30 - HE2 LYS 33 far 0 92 0 - 5.8-11.7 HB2 ARG 30 - HE3 LYS 33 far 0 92 0 - 5.9-10.3 HG3 LYS 12 - HE3 LYS 33 far 0 95 0 - 8.4-12.8 HG2 ARG 19 - HE2 LYS 33 far 0 92 0 - 9.0-14.2 HG3 LYS 12 - HE2 LYS 33 far 0 95 0 - 9.3-12.5 HG2 ARG 19 - HE2 LYS 12 far 0 99 0 - 9.5-12.9 HG2 ARG 19 - HE3 LYS 33 far 0 92 0 - 9.9-13.4 Violated in 1 structures by 0.00 A. Peak 465 from cnoeabs.peaks (1.70, 3.01, 41.80 ppm; 2.82 A): 6 out of 23 assignments used, quality = 1.00: * HD2 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=85, 3.0/463=33...(53) HD3 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.5-3.0 3.0=85, 3.0/463=33...(53) HD3 LYS 33 + HE2 LYS 33 OK 73 78 100 93 2.2-3.0 3.0=87, 1472/3.9=9...(16) HD3 LYS 33 + HE3 LYS 33 OK 73 78 100 93 2.4-3.0 3.0=87, 1472/3.9=9...(16) HD2 LYS 33 + HE3 LYS 33 OK 73 78 100 93 2.3-2.9 3.0=87, 1472/3.9=9...(16) HD2 LYS 33 + HE2 LYS 33 OK 73 78 100 93 2.4-3.0 3.0=87, 1472/3.9=9...(16) HB ILE 15 - HE2 LYS 12 far 0 79 0 - 4.7-6.7 HG12 ILE 15 - HE2 LYS 12 far 0 100 0 - 5.8-9.1 HD3 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.9-12.8 HD2 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.0-11.4 HD2 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.5-11.2 HD2 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.8-10.6 HD3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.9-12.0 HD3 LYS 33 - HE2 LYS 12 far 0 87 0 - 7.1-12.0 HG12 ILE 15 - HE2 LYS 33 far 0 93 0 - 7.1-10.3 HB ILE 15 - HE2 LYS 33 far 0 70 0 - 7.5-10.0 HG12 ILE 15 - HE3 LYS 33 far 0 93 0 - 7.5-10.6 HB ILE 15 - HE3 LYS 33 far 0 70 0 - 7.7-10.4 HB3 LYS 40 - HE3 LYS 33 far 0 86 0 - 7.8-12.5 HB3 LYS 40 - HE2 LYS 33 far 0 86 0 - 8.7-12.5 HD3 LYS 13 - HE2 LYS 12 far 0 100 0 - 8.8-11.6 HD2 LYS 13 - HE2 LYS 12 far 0 100 0 - 8.8-11.4 HD2 LYS 20 - HE2 LYS 12 far 0 88 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 466 from cnoeabs.peaks (1.70, 3.01, 41.80 ppm; 2.82 A): 6 out of 23 assignments used, quality = 1.00: HD2 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.3-3.0 3.0=85, 3.0/463=33...(53) * HD3 LYS 12 + HE2 LYS 12 OK 98 100 100 98 2.5-3.0 3.0=85, 3.0/463=33...(53) HD3 LYS 33 + HE2 LYS 33 OK 73 78 100 93 2.2-3.0 3.0=87, 1472/3.9=9...(16) HD3 LYS 33 + HE3 LYS 33 OK 73 78 100 93 2.4-3.0 3.0=87, 1472/3.9=9...(16) HD2 LYS 33 + HE3 LYS 33 OK 73 78 100 93 2.3-2.9 3.0=87, 1472/3.9=9...(16) HD2 LYS 33 + HE2 LYS 33 OK 73 78 100 93 2.4-3.0 3.0=87, 1472/3.9=9...(16) HB ILE 15 - HE2 LYS 12 far 0 79 0 - 4.7-6.7 HG12 ILE 15 - HE2 LYS 12 far 0 100 0 - 5.8-9.1 HD3 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.9-12.8 HD2 LYS 33 - HE2 LYS 12 far 0 87 0 - 6.0-11.4 HD2 LYS 12 - HE3 LYS 33 far 0 95 0 - 6.5-11.2 HD2 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.8-10.6 HD3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.9-12.0 HD3 LYS 33 - HE2 LYS 12 far 0 87 0 - 7.1-12.0 HG12 ILE 15 - HE2 LYS 33 far 0 93 0 - 7.1-10.3 HB ILE 15 - HE2 LYS 33 far 0 70 0 - 7.5-10.0 HG12 ILE 15 - HE3 LYS 33 far 0 93 0 - 7.5-10.6 HB ILE 15 - HE3 LYS 33 far 0 70 0 - 7.7-10.4 HB3 LYS 40 - HE3 LYS 33 far 0 86 0 - 7.8-12.5 HB3 LYS 40 - HE2 LYS 33 far 0 86 0 - 8.7-12.5 HD3 LYS 13 - HE2 LYS 12 far 0 100 0 - 8.8-11.6 HD2 LYS 13 - HE2 LYS 12 far 0 100 0 - 8.8-11.4 HD2 LYS 20 - HE2 LYS 12 far 0 88 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 467 from cnoeabs.peaks (3.01, 3.01, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 12 + HE2 LYS 12 OK 100 100 - 100 HE3 LYS 33 + HE3 LYS 33 OK 90 90 - 100 HE2 LYS 33 + HE2 LYS 33 OK 90 90 - 100 Peak 468 from cnoeabs.peaks (2.96, 3.01, 41.80 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HE3 LYS 12 + HE2 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 12 - HE3 LYS 33 far 0 95 0 - 5.0-12.4 HE3 LYS 12 - HE2 LYS 33 far 0 95 0 - 6.0-11.2 HB2 ASN 10 - HE2 LYS 12 far 0 63 0 - 6.1-10.9 HB3 ASP 11 - HE2 LYS 12 far 0 79 0 - 6.8-9.4 HB2 ASN 10 - HE2 LYS 33 far 0 55 0 - 8.0-11.6 HB2 SER 9 - HE2 LYS 33 far 0 75 0 - 8.2-11.3 HB2 SER 9 - HE3 LYS 33 far 0 75 0 - 8.2-11.0 HB2 ASN 10 - HE3 LYS 33 far 0 55 0 - 8.2-12.1 HB2 SER 9 - HE2 LYS 12 far 0 84 0 - 8.3-12.0 Violated in 0 structures by 0.00 A. Peak 472 from cnoeabs.peaks (1.86, 2.96, 41.80 ppm; 3.91 A): 4 out of 31 assignments used, quality = 1.00: * HB2 LYS 12 + HE3 LYS 12 OK 100 100 100 100 2.1-4.4 4.8=53, ~463=40, ~460=30...(68) HB3 LYS 12 + HE3 LYS 12 OK 100 100 100 100 3.3-5.1 4.8=53, ~463=40, ~460=30...(68) HB3 LYS 90 + HE3 LYS 90 OK 39 39 100 99 3.6-4.8 4.8=53, ~3917=25...(31) HB3 LEU 14 + HE2 LYS 13 OK 25 60 60 69 5.1-6.2 3.8/6196=13, 3.1/8416=8...(24) HB3 LEU 14 - HE3 LYS 13 far 9 59 15 - 5.4-7.2 HB3 LYS 39 - HE2 LYS 73 far 5 93 5 - 4.8-10.0 HB3 LYS 39 - HE3 LYS 73 far 4 85 5 - 5.3-9.9 HG2 ARG 46 - HE2 LYS 47 far 0 56 0 - 5.9-10.0 HG2 ARG 46 - HE3 LYS 47 far 0 56 0 - 5.9-10.0 HB3 LEU 14 - HE3 LYS 90 far 0 30 0 - 6.2-11.2 HB3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.7-7.8 HB2 LYS 20 - HE2 LYS 24 far 0 85 0 - 6.9-10.5 HB3 LYS 90 - HE2 LYS 24 far 0 77 0 - 7.0-11.9 HB3 LYS 90 - HE3 LYS 24 far 0 77 0 - 7.1-11.6 HB3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-9.0 HB2 LYS 20 - HE3 LYS 90 far 0 45 0 - 7.9-10.8 HB2 LYS 20 - HE3 LYS 24 far 0 85 0 - 7.9-9.9 HB2 LYS 12 - HE3 LYS 13 far 0 99 0 - 8.2-9.1 HB2 ARG 19 - HE3 LYS 90 far 0 42 0 - 8.3-11.7 HB2 ARG 19 - HE3 LYS 12 far 0 81 0 - 8.6-12.0 HB2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.7-10.1 HB2 LYS 68 - HE3 LYS 73 far 0 65 0 - 8.8-12.2 HB3 LEU 14 - HE3 LYS 12 far 0 61 0 - 8.9-10.6 HG LEU 42 - HE2 LYS 73 far 0 63 0 - 9.1-14.2 HB3 LYS 90 - HE3 LYS 13 far 0 74 0 - 9.3-14.1 HB3 LYS 68 - HE3 LYS 73 far 0 83 0 - 9.3-11.7 HB3 LYS 66 - HE2 LYS 73 far 0 93 0 - 9.5-13.5 HB3 LYS 68 - HE2 LYS 73 far 0 92 0 - 9.6-12.5 HB3 LYS 66 - HE3 LYS 73 far 0 85 0 - 9.6-13.0 HB3 LYS 90 - HE2 LYS 13 far 0 76 0 - 9.9-12.9 HG LEU 42 - HE3 LYS 73 far 0 56 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 473 from cnoeabs.peaks (1.87, 2.96, 41.80 ppm; 3.91 A): 4 out of 31 assignments used, quality = 1.00: HB2 LYS 12 + HE3 LYS 12 OK 100 100 100 100 2.1-4.4 4.8=53, ~463=40, ~460=30...(68) * HB3 LYS 12 + HE3 LYS 12 OK 100 100 100 100 3.3-5.1 4.8=53, ~463=40, ~460=30...(68) HB3 LYS 90 + HE3 LYS 90 OK 36 37 100 99 3.6-4.8 4.8=53, ~3917=25...(31) HB3 LEU 14 + HE2 LYS 13 OK 27 64 60 70 5.1-6.2 3.8/6196=13, 8405=8...(24) HB3 LEU 14 - HE3 LYS 13 far 9 63 15 - 5.4-7.2 HB3 LYS 39 - HE2 LYS 73 far 5 93 5 - 4.8-10.0 HB3 LYS 39 - HE3 LYS 73 far 4 84 5 - 5.3-9.9 HB2 GLU 43 - HE2 LYS 47 far 3 54 5 - 4.7-8.5 HB2 GLU 43 - HE3 LYS 47 far 3 54 5 - 5.4-9.4 HB3 LEU 14 - HE3 LYS 90 far 0 32 0 - 6.2-11.2 HB3 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.7-7.8 HB2 LYS 20 - HE2 LYS 24 far 0 88 0 - 6.9-10.5 HB3 LYS 90 - HE2 LYS 24 far 0 73 0 - 7.0-11.9 HB3 LYS 90 - HE3 LYS 24 far 0 73 0 - 7.1-11.6 HB3 LYS 12 - HE2 LYS 13 far 0 100 0 - 7.2-9.0 HB2 LYS 20 - HE3 LYS 90 far 0 47 0 - 7.9-10.8 HB2 LYS 20 - HE3 LYS 24 far 0 88 0 - 7.9-9.9 HB2 LYS 12 - HE3 LYS 13 far 0 99 0 - 8.2-9.1 HB2 ARG 19 - HE3 LYS 90 far 0 44 0 - 8.3-11.7 HB2 ARG 19 - HE3 LYS 12 far 0 84 0 - 8.6-12.0 HB2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.7-10.1 HB2 LYS 68 - HE3 LYS 73 far 0 62 0 - 8.8-12.2 HB3 LEU 14 - HE3 LYS 12 far 0 65 0 - 8.9-10.6 HG LEU 42 - HE2 LYS 73 far 0 67 0 - 9.1-14.2 HB3 LYS 90 - HE3 LYS 13 far 0 71 0 - 9.3-14.1 HB3 LYS 68 - HE3 LYS 73 far 0 84 0 - 9.3-11.7 HB3 LYS 66 - HE2 LYS 73 far 0 93 0 - 9.5-13.5 HB3 LYS 68 - HE2 LYS 73 far 0 93 0 - 9.6-12.5 HB3 LYS 66 - HE3 LYS 73 far 0 84 0 - 9.6-13.0 HB3 LYS 90 - HE2 LYS 13 far 0 72 0 - 9.9-12.9 HG LEU 42 - HE3 LYS 73 far 0 59 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 474 from cnoeabs.peaks (1.45, 2.96, 41.80 ppm; 3.53 A): 3 out of 39 assignments used, quality = 1.00: * HG2 LYS 12 + HE3 LYS 12 OK 100 100 100 100 2.4-4.2 4.0=71, ~464=45...(54) HG2 LYS 13 + HE2 LYS 13 OK 95 95 100 100 3.4-4.2 3.8=79, 518/6.0=18...(86) HG2 LYS 13 + HE3 LYS 13 OK 94 94 100 100 3.4-4.0 3.8=79, 518/6.0=18...(87) HG3 ARG 91 - HE3 LYS 90 poor 19 59 55 60 3.1-6.8 ~4039=12, 10285/3.8=12...(15) HG3 LYS 39 - HE2 LYS 73 far 5 93 5 - 4.4-11.2 HG3 LYS 39 - HE3 LYS 73 far 0 84 0 - 5.3-11.0 HG2 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.6-10.2 HG2 LYS 12 - HE3 LYS 13 far 0 99 0 - 6.3-9.5 QB ALA 71 - HE2 LYS 73 far 0 58 0 - 6.6-9.3 HG2 LYS 12 - HE2 LYS 13 far 0 100 0 - 6.7-10.1 HB2 LEU 38 - HE2 LYS 73 far 0 91 0 - 7.1-13.1 HG2 LYS 13 - HE3 LYS 90 far 0 54 0 - 7.3-12.4 HG2 LYS 20 - HE2 LYS 24 far 0 98 0 - 7.4-11.4 HG2 LYS 20 - HE3 LYS 24 far 0 98 0 - 7.4-11.2 QB ALA 71 - HE3 LYS 73 far 0 51 0 - 7.4-8.6 QB ALA 22 - HE3 LYS 24 far 0 99 0 - 7.5-10.1 QB ALA 22 - HE2 LYS 24 far 0 99 0 - 7.5-9.8 HG LEU 38 - HE2 LYS 73 far 0 88 0 - 7.6-14.2 HG2 LYS 13 - HE3 LYS 12 far 0 96 0 - 7.9-9.0 HD3 LYS 40 - HE2 LYS 47 far 0 88 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 88 0 - 8.1-14.8 HB2 LEU 38 - HE3 LYS 73 far 0 82 0 - 8.4-12.3 QB ALA 22 - HE3 LYS 90 far 0 57 0 - 8.6-10.7 HG13 ILE 76 - HE3 LYS 47 far 0 96 0 - 8.7-11.8 HB2 LEU 27 - HE2 LYS 24 far 0 98 0 - 8.8-12.0 HG12 ILE 7 - HE3 LYS 90 far 0 49 0 - 9.0-12.9 HG LEU 38 - HE3 LYS 73 far 0 79 0 - 9.2-13.0 HG13 ILE 76 - HE2 LYS 47 far 0 96 0 - 9.2-11.8 HG13 ILE 52 - HE2 LYS 47 far 0 95 0 - 9.2-12.7 HB2 LEU 27 - HE3 LYS 24 far 0 98 0 - 9.4-12.1 HG LEU 29 - HE3 LYS 90 far 0 57 0 - 9.5-13.6 HG3 ARG 91 - HE2 LYS 13 far 0 99 0 - 9.6-13.0 HD2 LYS 40 - HE2 LYS 47 far 0 89 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 89 0 - 9.6-13.6 HG3 LYS 39 - HE2 LYS 47 far 0 98 0 - 9.7-15.9 HG3 ARG 91 - HE3 LYS 13 far 0 98 0 - 9.7-14.1 HG13 ILE 52 - HE3 LYS 47 far 0 95 0 - 9.9-13.5 HG13 ILE 76 - HE3 LYS 73 far 0 82 0 - 10.0-13.4 HG12 ILE 7 - HE2 LYS 13 far 0 89 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 475 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.96 A): 8 out of 27 assignments used, quality = 1.00: HG2 LYS 24 + HE2 LYS 24 OK 95 99 100 95 2.0-4.1 3.7=50, 1121/3.0=10...(71) HG2 LYS 24 + HE3 LYS 24 OK 95 99 100 95 2.0-4.2 3.7=50, 1121/3.0=10...(71) * HG3 LYS 12 + HE3 LYS 12 OK 92 100 100 92 2.2-4.1 4.0=42, ~463=31...(37) HG3 LYS 73 + HE2 LYS 73 OK 88 93 100 95 2.1-3.8 4.0=40, 3298/3.0=20...(69) HG3 LYS 73 + HE3 LYS 73 OK 80 84 100 95 2.0-3.2 4.0=40, 3298/3.0=20...(71) HG3 LYS 47 + HE2 LYS 47 OK 74 76 100 96 2.4-4.0 3.8=48, 1.8/2205=9...(77) HG3 LYS 47 + HE3 LYS 47 OK 73 76 100 96 2.4-3.8 3.8=48, 1.8/2205=9...(77) HG3 LYS 90 + HE3 LYS 90 OK 47 57 100 82 2.0-3.1 3.8=48, 1.8/4005=16...(15) HD3 LYS 94 - HE3 LYS 24 far 5 100 5 - 4.0-11.5 HD2 LYS 94 - HE3 LYS 24 far 0 77 0 - 4.9-10.8 HD3 LYS 94 - HE3 LYS 90 far 0 60 0 - 5.0-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 100 0 - 5.0-12.0 HD2 LYS 94 - HE3 LYS 90 far 0 39 0 - 5.5-11.9 HD2 LYS 94 - HE2 LYS 24 far 0 77 0 - 5.6-11.2 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 98 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 97 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 100 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 100 0 - 7.8-10.8 HG3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 99 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 83 0 - 8.3-12.7 HG2 ARG 19 - HE3 LYS 90 far 0 58 0 - 8.4-14.0 HG3 LYS 90 - HE3 LYS 24 far 0 99 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 99 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 92 0 - 9.1-14.3 HG2 LYS 24 - HE3 LYS 90 far 0 58 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 476 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.48 A): 19 out of 75 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.2-3.0 2.9=60, 3.0/474=8...(45) HD3 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.2-2.9 2.9=60, 3.0/474=8...(45) HD2 LYS 13 + HE3 LYS 13 OK 86 99 100 87 2.3-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 13 + HE3 LYS 13 OK 86 99 100 87 2.2-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 24 + HE2 LYS 24 OK 86 100 100 86 2.2-3.0 3.0=59, 1121/3.7=5...(53) HD2 LYS 24 + HE2 LYS 24 OK 86 100 100 86 2.6-3.0 3.0=59, 1121/3.7=5...(53) HD3 LYS 24 + HE3 LYS 24 OK 86 100 100 86 2.6-3.0 3.0=59, 1121/3.7=5...(53) HD2 LYS 24 + HE3 LYS 24 OK 86 100 100 86 2.2-3.0 3.0=59, 1121/3.7=5...(53) * HD2 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.2-3.0 3.0=58, ~463=13...(26) HD3 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.3-3.0 3.0=58, ~463=13...(26) HD3 LYS 47 + HE2 LYS 47 OK 75 89 100 84 2.2-2.7 3.0=59, 3.0/2176=6...(42) HD3 LYS 47 + HE3 LYS 47 OK 75 89 100 84 2.9-3.0 3.0=59, 3.0/2176=6...(42) HD2 LYS 47 + HE2 LYS 47 OK 74 88 100 84 2.9-3.0 3.0=59, 3.0/2177=6...(43) HD2 LYS 47 + HE3 LYS 47 OK 74 88 100 84 2.3-2.8 3.0=59, 3.0/2177=6...(42) HD2 LYS 73 + HE2 LYS 73 OK 50 62 100 82 2.7-3.0 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE2 LYS 73 OK 48 58 100 82 2.2-2.6 3.0=57, 3298/4.0=5...(45) HD3 LYS 90 + HE3 LYS 90 OK 45 60 100 76 2.6-3.0 3.0=59, 2.9/4005=8...(12) HD2 LYS 73 + HE3 LYS 73 OK 44 54 100 82 2.3-2.9 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE3 LYS 73 OK 42 51 100 83 2.7-3.0 3.0=57, 3298/4.0=5...(45) HD2 LYS 90 - HE3 LYS 90 poor 20 29 100 68 2.2-3.0 3.0=59, 2.9/4005=8...(8) HG2 PRO 86 - HE2 LYS 13 lone 13 99 80 16 2.0-5.3 3.8/12306=2, ~3842=2...(10) HB3 LEU 70 - HE2 LYS 73 far 9 87 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 13 lone 6 98 50 13 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HG2 PRO 86 - HE3 LYS 90 far 0 58 0 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 93 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 79 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 60 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 44 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 44 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 52 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 85 0 - 6.3-8.6 HD2 LYS 90 - HE2 LYS 13 far 0 58 0 - 6.4-12.8 HD2 LYS 90 - HE3 LYS 13 far 0 57 0 - 6.5-12.8 HD3 LYS 90 - HE3 LYS 13 far 0 99 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 85 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 99 0 - 7.3-12.5 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 7.4-15.0 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 7.6-12.5 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 7.6-15.4 HD3 LYS 66 - HE2 LYS 73 far 0 93 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 99 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 76 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 99 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 59 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 73 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 78 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 98 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 99 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 86 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 88 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 59 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 94 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 73 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 87 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 83 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 477 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.48 A): 19 out of 75 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.2-3.0 2.9=60, 3.0/474=8...(45) HD3 LYS 13 + HE2 LYS 13 OK 87 100 100 87 2.2-2.9 2.9=60, 3.0/474=8...(45) HD2 LYS 13 + HE3 LYS 13 OK 86 99 100 87 2.3-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 13 + HE3 LYS 13 OK 86 99 100 87 2.2-3.0 2.9=60, 3.0/474=8...(44) HD3 LYS 24 + HE2 LYS 24 OK 86 100 100 86 2.2-3.0 3.0=59, 1121/3.7=5...(53) HD2 LYS 24 + HE2 LYS 24 OK 86 100 100 86 2.6-3.0 3.0=59, 1121/3.7=5...(53) HD3 LYS 24 + HE3 LYS 24 OK 86 100 100 86 2.6-3.0 3.0=59, 1121/3.7=5...(53) HD2 LYS 24 + HE3 LYS 24 OK 86 100 100 86 2.2-3.0 3.0=59, 1121/3.7=5...(53) HD2 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.2-3.0 3.0=58, ~463=13...(26) * HD3 LYS 12 + HE3 LYS 12 OK 82 100 100 82 2.3-3.0 3.0=58, ~463=13...(26) HD3 LYS 47 + HE2 LYS 47 OK 75 89 100 84 2.2-2.7 3.0=59, 3.0/2176=6...(42) HD3 LYS 47 + HE3 LYS 47 OK 75 89 100 84 2.9-3.0 3.0=59, 3.0/2176=6...(42) HD2 LYS 47 + HE2 LYS 47 OK 74 88 100 84 2.9-3.0 3.0=59, 3.0/2177=6...(43) HD2 LYS 47 + HE3 LYS 47 OK 74 88 100 84 2.3-2.8 3.0=59, 3.0/2177=6...(42) HD2 LYS 73 + HE2 LYS 73 OK 50 62 100 82 2.7-3.0 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE2 LYS 73 OK 48 58 100 82 2.2-2.6 3.0=57, 3298/4.0=5...(45) HD3 LYS 90 + HE3 LYS 90 OK 45 60 100 76 2.6-3.0 3.0=59, 2.9/4005=8...(12) HD2 LYS 73 + HE3 LYS 73 OK 44 54 100 82 2.3-2.9 3.0=57, 3298/4.0=5...(41) HD3 LYS 73 + HE3 LYS 73 OK 42 51 100 83 2.7-3.0 3.0=57, 3298/4.0=5...(45) HD2 LYS 90 - HE3 LYS 90 poor 20 29 100 68 2.2-3.0 3.0=59, 2.9/4005=8...(8) HG2 PRO 86 - HE2 LYS 13 lone 13 99 80 16 2.0-5.3 3.8/12306=2, ~3842=2...(10) HB3 LEU 70 - HE2 LYS 73 far 9 87 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 13 lone 6 98 50 13 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HG2 PRO 86 - HE3 LYS 90 far 0 58 0 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 93 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 79 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 60 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 44 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 44 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 52 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 85 0 - 6.3-8.6 HD2 LYS 90 - HE2 LYS 13 far 0 58 0 - 6.4-12.8 HD2 LYS 90 - HE3 LYS 13 far 0 57 0 - 6.5-12.8 HD3 LYS 90 - HE3 LYS 13 far 0 99 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 85 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 99 0 - 7.3-12.5 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 7.4-15.0 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 7.6-12.5 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 7.6-15.4 HD3 LYS 66 - HE2 LYS 73 far 0 93 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 99 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 76 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 99 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 59 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 73 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 78 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 98 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 99 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 86 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 88 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 59 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 94 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 73 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 87 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 83 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 478 from cnoeabs.peaks (3.01, 2.96, 41.80 ppm; 2.40 A): 3 out of 14 assignments used, quality = 1.00: * HE2 LYS 12 + HE3 LYS 12 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 47 + HE2 LYS 47 OK 67 67 100 100 1.8-1.8 1.8=100 HE2 LYS 47 + HE3 LYS 47 OK 67 67 100 100 1.8-1.8 1.8=100 HB3 ASP 11 - HE2 LYS 13 far 0 97 0 - 4.2-5.6 HB3 ASP 11 - HE3 LYS 13 far 0 96 0 - 4.4-5.9 HE3 LYS 33 - HE3 LYS 12 far 0 98 0 - 5.0-12.4 HE2 LYS 33 - HE3 LYS 12 far 0 98 0 - 6.0-11.2 HB2 PHE 45 - HE3 LYS 47 far 0 83 0 - 7.2-10.5 HB2 PHE 45 - HE2 LYS 47 far 0 83 0 - 7.3-10.0 HB3 ASP 11 - HE3 LYS 90 far 0 56 0 - 7.9-13.2 HB3 ASP 11 - HE3 LYS 12 far 0 98 0 - 8.0-9.7 HB2 SER 9 - HE2 LYS 13 far 0 95 0 - 8.5-10.2 HB2 SER 9 - HE3 LYS 13 far 0 93 0 - 9.0-11.2 HB2 SER 9 - HE3 LYS 12 far 0 96 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 479 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 12 + HE3 LYS 12 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 99 99 - 100 HE3 LYS 13 + HE3 LYS 13 OK 98 98 - 100 HE3 LYS 47 + HE3 LYS 47 OK 96 96 - 100 HE2 LYS 47 + HE2 LYS 47 OK 96 96 - 100 HE2 LYS 73 + HE2 LYS 73 OK 88 88 - 100 HE3 LYS 73 + HE3 LYS 73 OK 74 74 - 100 HE3 LYS 90 + HE3 LYS 90 OK 40 40 - 100 Peak 481 from cnoeabs.peaks (8.07, 4.15, 58.53 ppm; 3.34 A): 4 out of 5 assignments used, quality = 1.00: * H LYS 13 + HA LYS 13 OK 100 100 100 100 2.8-2.8 2.9=100 H GLU 17 + HA LYS 13 OK 78 98 100 80 3.7-4.7 6250/493=43, 4.6/492=28...(8) H ILE 15 + HA LYS 13 OK 70 100 80 87 4.7-4.9 6209/3.6=44, 6208=29...(14) H GLU 75 + HA GLN 72 OK 61 70 100 88 3.0-3.7 10827/3.0=31...(13) H LYS 90 - HA LYS 13 far 0 79 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 482 from cnoeabs.peaks (4.15, 4.15, 58.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 13 + HA LYS 13 OK 100 100 - 100 HA GLN 72 + HA GLN 72 OK 70 70 - 100 Peak 483 from cnoeabs.peaks (1.92, 4.15, 58.53 ppm; 2.83 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 13 + HA LYS 13 OK 99 100 100 99 2.5-2.6 3.0=86, 3.0/486=37...(25) HB3 LYS 13 + HA LYS 13 OK 99 100 100 99 2.3-2.4 3.0=86, 3.0/486=37...(25) HB2 GLU 17 - HA LYS 13 far 0 85 0 - 4.8-7.3 HB3 LEU 14 - HA LYS 13 far 0 97 0 - 5.6-5.7 HB2 ARG 19 - HA LYS 13 far 0 87 0 - 8.0-10.5 HB3 ARG 19 - HA LYS 13 far 0 98 0 - 8.1-10.2 HB VAL 54 - HA GLN 72 far 0 45 0 - 8.7-11.2 HG LEU 42 - HA GLN 72 far 0 59 0 - 9.2-10.4 HB2 LYS 20 - HA LYS 13 far 0 82 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 484 from cnoeabs.peaks (1.91, 4.15, 58.53 ppm; 2.83 A): 2 out of 9 assignments used, quality = 1.00: HB2 LYS 13 + HA LYS 13 OK 99 100 100 99 2.5-2.6 3.0=86, 3.0/486=37...(25) * HB3 LYS 13 + HA LYS 13 OK 99 100 100 99 2.3-2.4 3.0=86, 3.0/486=37...(25) HB2 GLU 17 - HA LYS 13 far 0 82 0 - 4.8-7.3 HB3 LEU 14 - HA LYS 13 far 0 98 0 - 5.6-5.7 HB2 ARG 19 - HA LYS 13 far 0 90 0 - 8.0-10.5 HB3 ARG 19 - HA LYS 13 far 0 96 0 - 8.1-10.2 HB VAL 54 - HA GLN 72 far 0 48 0 - 8.7-11.2 HG LEU 42 - HA GLN 72 far 0 61 0 - 9.2-10.4 HB2 LYS 20 - HA LYS 13 far 0 85 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 485 from cnoeabs.peaks (1.43, 4.15, 58.53 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 13 + HA LYS 13 OK 100 100 100 100 3.5-3.6 518=76, 3.0/483=34...(46) QB ALA 71 + HA GLN 72 OK 57 59 100 97 3.7-3.9 7170/3.0=58, 5.0=36...(19) HG2 LYS 12 - HA LYS 13 far 14 96 15 - 2.9-6.4 HG13 ILE 76 - HA GLN 72 far 0 69 0 - 6.6-8.3 HG2 LYS 20 - HA LYS 13 far 0 82 0 - 8.1-8.9 HG12 ILE 7 - HA LYS 13 far 0 100 0 - 8.9-10.9 HG3 LYS 39 - HA GLN 72 far 0 66 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 486 from cnoeabs.peaks (1.50, 4.15, 58.53 ppm; 3.36 A): 1 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HA LYS 13 OK 100 100 100 100 3.9-4.2 3.9=63, 1.8/518=57...(39) HG2 LYS 73 - HA GLN 72 far 0 69 0 - 5.4-6.0 HB2 LEU 14 - HA LYS 13 far 0 85 0 - 6.0-6.2 HG12 ILE 56 - HA GLN 72 far 0 41 0 - 9.6-11.7 Violated in 20 structures by 0.73 A. Peak 487 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 3.62 A): 2 out of 16 assignments used, quality = 0.82: * HD2 LYS 13 + HA LYS 13 OK 60 100 60 100 4.0-5.5 3.0/486=60, 3.0/518=51...(66) HD3 LYS 13 + HA LYS 13 OK 55 100 55 100 4.0-5.4 3.0/486=60, 3.0/518=51...(66) HD3 LYS 12 - HA LYS 13 far 15 100 15 - 3.7-8.0 HD2 LYS 12 - HA LYS 13 far 15 100 15 - 4.2-7.2 HB ILE 15 - HA LYS 13 far 0 79 0 - 5.2-5.6 HG2 PRO 86 - HA LYS 13 far 0 99 0 - 5.9-7.3 HD2 LYS 20 - HA LYS 13 far 0 88 0 - 6.4-8.5 HD3 LYS 20 - HA LYS 13 far 0 84 0 - 6.4-9.6 HG12 ILE 15 - HA LYS 13 far 0 100 0 - 7.1-7.6 HB3 LEU 70 - HA GLN 72 far 0 63 0 - 7.5-7.9 HD3 LYS 90 - HA LYS 13 far 0 100 0 - 7.6-11.7 HD2 LYS 90 - HA LYS 13 far 0 59 0 - 7.6-11.1 HD3 LYS 73 - HA GLN 72 far 0 40 0 - 7.6-8.1 HD2 LYS 73 - HA GLN 72 far 0 43 0 - 7.6-7.9 HG3 LYS 20 - HA LYS 13 far 0 84 0 - 7.9-10.3 HG LEU 70 - HA GLN 72 far 0 70 0 - 8.4-9.1 Violated in 20 structures by 0.39 A. Peak 488 from cnoeabs.peaks (1.70, 4.15, 58.53 ppm; 3.62 A): 2 out of 16 assignments used, quality = 0.82: HD2 LYS 13 + HA LYS 13 OK 60 100 60 100 4.0-5.5 3.0/486=60, 3.0/518=51...(66) * HD3 LYS 13 + HA LYS 13 OK 55 100 55 100 4.0-5.4 3.0/486=60, 3.0/518=51...(66) HD3 LYS 12 - HA LYS 13 far 15 100 15 - 3.7-8.0 HD2 LYS 12 - HA LYS 13 far 15 100 15 - 4.2-7.2 HB ILE 15 - HA LYS 13 far 0 82 0 - 5.2-5.6 HG2 PRO 86 - HA LYS 13 far 0 99 0 - 5.9-7.3 HD2 LYS 20 - HA LYS 13 far 0 85 0 - 6.4-8.5 HD3 LYS 20 - HA LYS 13 far 0 81 0 - 6.4-9.6 HG12 ILE 15 - HA LYS 13 far 0 99 0 - 7.1-7.6 HB3 LEU 70 - HA GLN 72 far 0 65 0 - 7.5-7.9 HD3 LYS 90 - HA LYS 13 far 0 100 0 - 7.6-11.7 HD2 LYS 90 - HA LYS 13 far 0 63 0 - 7.6-11.1 HD3 LYS 73 - HA GLN 72 far 0 37 0 - 7.6-8.1 HD2 LYS 73 - HA GLN 72 far 0 40 0 - 7.6-7.9 HG3 LYS 20 - HA LYS 13 far 0 81 0 - 7.9-10.3 HG LEU 70 - HA GLN 72 far 0 69 0 - 8.4-9.1 Violated in 20 structures by 0.39 A. Peak 489 from cnoeabs.peaks (2.96, 4.15, 58.53 ppm; 4.74 A): 3 out of 9 assignments used, quality = 1.00: HE3 LYS 13 + HA LYS 13 OK 100 100 100 100 4.4-5.4 3.8/486=75, 3.8/518=68...(53) * HE2 LYS 13 + HA LYS 13 OK 95 100 95 100 4.7-6.4 3.8/486=75, 3.8/518=68...(54) HB3 ASP 11 + HA LYS 13 OK 61 70 100 88 5.3-5.8 ~8390=36, 8379/3.6=31...(15) HE3 LYS 12 - HA LYS 13 far 10 100 10 - 5.9-8.7 HE3 LYS 90 - HA LYS 13 far 0 87 0 - 6.6-11.3 HE3 LYS 73 - HA GLN 72 far 0 64 0 - 7.4-8.6 HE2 LYS 73 - HA GLN 72 far 0 68 0 - 7.6-9.2 HB2 SER 9 - HA LYS 13 far 0 75 0 - 8.4-10.6 HB2 PHE 45 - HA GLN 72 far 0 55 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 490 from cnoeabs.peaks (2.96, 4.15, 58.53 ppm; 4.74 A): 3 out of 9 assignments used, quality = 1.00: * HE3 LYS 13 + HA LYS 13 OK 100 100 100 100 4.4-5.4 3.8/486=75, 3.8/518=68...(53) HE2 LYS 13 + HA LYS 13 OK 95 100 95 100 4.7-6.4 3.8/486=75, 3.8/518=68...(54) HB3 ASP 11 + HA LYS 13 OK 57 65 100 87 5.3-5.8 ~8390=36, 8379/3.6=28...(15) HE3 LYS 12 - HA LYS 13 far 10 100 10 - 5.9-8.7 HE3 LYS 90 - HA LYS 13 far 0 90 0 - 6.6-11.3 HE3 LYS 73 - HA GLN 72 far 0 66 0 - 7.4-8.6 HE2 LYS 73 - HA GLN 72 far 0 68 0 - 7.6-9.2 HB2 SER 9 - HA LYS 13 far 0 71 0 - 8.4-10.6 HB2 PHE 45 - HA GLN 72 far 0 53 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 491 from cnoeabs.peaks (7.55, 4.15, 58.53 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 14 + HA LYS 13 OK 100 100 100 100 3.6-3.6 3.6=100 H ILE 76 + HA GLN 72 OK 63 68 100 93 3.6-4.8 9650=61, 7248/10833=32...(11) Violated in 0 structures by 0.00 A. Peak 492 from cnoeabs.peaks (8.02, 4.15, 58.53 ppm; 3.73 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 16 + HA LYS 13 OK 99 100 100 99 3.7-4.0 6226=85, 6237/493=56...(11) H LYS 90 - HA LYS 13 far 0 77 0 - 9.4-10.7 Violated in 20 structures by 0.15 A. Peak 493 from cnoeabs.peaks (2.08, 4.15, 58.53 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.86: * HB2 GLU 16 + HA LYS 13 OK 86 100 100 86 3.1-5.1 6237/492=51, 1.8/494=33...(6) HB2 MET 74 - HA GLN 72 far 0 65 0 - 5.5-7.3 HB3 PRO 86 - HA LYS 13 far 0 79 0 - 6.0-7.6 HB3 LEU 38 - HA GLN 72 far 0 70 0 - 9.9-12.9 Violated in 11 structures by 0.62 A. Peak 494 from cnoeabs.peaks (2.17, 4.15, 58.53 ppm; 3.00 A): 2 out of 11 assignments used, quality = 0.82: HB2 GLN 72 + HA GLN 72 OK 70 70 100 100 2.3-2.6 3.0=100 * HB3 GLU 16 + HA LYS 13 OK 42 100 50 84 3.0-5.1 1.8/493=51, 6238/492=36...(8) HG3 GLU 75 - HA GLN 72 far 10 68 15 - 4.3-7.3 HG2 GLU 75 - HA GLN 72 far 0 68 0 - 4.7-6.3 HB3 GLU 75 - HA GLN 72 far 0 54 0 - 5.5-6.7 HB2 GLU 75 - HA GLN 72 far 0 47 0 - 5.8-7.0 HB3 GLU 69 - HA GLN 72 far 0 34 0 - 7.1-8.1 HG2 GLU 69 - HA GLN 72 far 0 34 0 - 7.2-9.7 HG3 PRO 86 - HA LYS 13 far 0 77 0 - 7.3-8.8 HB2 GLU 69 - HA GLN 72 far 0 34 0 - 7.7-8.5 HG2 GLU 43 - HA GLN 72 far 0 55 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 495 from cnoeabs.peaks (8.07, 1.92, 31.45 ppm; 3.02 A): 2 out of 7 assignments used, quality = 1.00: H LYS 13 + HB3 LYS 13 OK 97 100 100 97 2.5-2.8 6174=50, 6177/3.0=37...(22) * H LYS 13 + HB2 LYS 13 OK 97 100 100 97 3.6-3.6 6174=50, 6177/3.0=37...(21) H GLU 17 - HB2 LYS 13 far 0 98 0 - 4.9-5.5 H ILE 15 - HB2 LYS 13 far 0 100 0 - 5.5-5.8 H GLU 17 - HB3 LYS 13 far 0 98 0 - 5.8-6.6 H ILE 15 - HB3 LYS 13 far 0 100 0 - 5.9-6.1 H LYS 90 - HB2 LYS 13 far 0 79 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 496 from cnoeabs.peaks (4.15, 1.92, 31.45 ppm; 3.10 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.5-2.6 3.0=100 HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-2.4 3.0=100 HB3 SER 85 - HB2 LYS 13 far 0 65 0 - 7.5-8.6 HB3 SER 85 - HB3 LYS 13 far 0 65 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 497 from cnoeabs.peaks (1.92, 1.92, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 Peak 498 from cnoeabs.peaks (1.91, 1.92, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 Reference assignment not found: HB3 LYS 13 - HB2 LYS 13 Peak 499 from cnoeabs.peaks (1.43, 1.92, 31.45 ppm; 3.19 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.7-2.8 3.0=100 HG2 LYS 12 - HB3 LYS 13 far 10 96 10 - 3.8-6.9 HG2 LYS 12 - HB2 LYS 13 far 0 96 0 - 4.9-7.9 HG2 LYS 20 - HB2 LYS 13 far 0 82 0 - 9.1-10.3 HG12 ILE 7 - HB2 LYS 13 far 0 100 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 500 from cnoeabs.peaks (1.50, 1.92, 31.45 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LEU 14 - HB2 LYS 13 far 0 85 0 - 4.9-5.4 HB2 LEU 14 - HB3 LYS 13 far 0 85 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 501 from cnoeabs.peaks (1.70, 1.92, 31.45 ppm; 3.52 A): 5 out of 24 assignments used, quality = 1.00: * HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-3.9 3.6=94, 487/3.0=27...(115) HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.1-4.1 3.6=94, 487/3.0=25...(115) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.2 3.6=94, 487/3.0=27...(113) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 487/3.0=25...(113) HG2 PRO 86 + HB2 LYS 13 OK 44 99 95 46 3.7-5.0 ~10957=13, 9887/586=11...(12) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 5.3-6.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 5.5-8.8 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 6.0-8.2 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.2-9.9 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-9.1 HD2 LYS 90 - HB2 LYS 13 far 0 59 0 - 6.6-10.3 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 6.8-10.6 HB ILE 15 - HB2 LYS 13 far 0 79 0 - 6.9-7.3 HB ILE 15 - HB3 LYS 13 far 0 79 0 - 6.9-7.2 HD3 LYS 20 - HB2 LYS 13 far 0 84 0 - 7.7-10.3 HD2 LYS 20 - HB2 LYS 13 far 0 88 0 - 7.7-9.5 HG12 ILE 15 - HB2 LYS 13 far 0 100 0 - 8.0-8.4 HG12 ILE 15 - HB3 LYS 13 far 0 100 0 - 8.2-8.8 HD2 LYS 90 - HB3 LYS 13 far 0 59 0 - 8.3-12.0 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 8.4-12.3 HD3 LYS 20 - HB3 LYS 13 far 0 84 0 - 8.5-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 88 0 - 8.5-10.3 HG3 LYS 20 - HB2 LYS 13 far 0 84 0 - 8.9-10.9 HG3 LYS 20 - HB3 LYS 13 far 0 84 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 502 from cnoeabs.peaks (1.70, 1.92, 31.45 ppm; 3.52 A): 5 out of 24 assignments used, quality = 1.00: * HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.1-4.1 3.6=94, 488/3.0=25...(115) HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-3.9 3.6=94, 488/3.0=27...(115) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 488/3.0=25...(113) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.2 3.6=94, 488/3.0=27...(113) HG2 PRO 86 + HB2 LYS 13 OK 44 99 95 46 3.7-5.0 ~10957=13, 9887/586=11...(13) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 5.3-6.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 5.5-8.8 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 6.0-8.2 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.2-9.9 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-9.1 HD2 LYS 90 - HB2 LYS 13 far 0 63 0 - 6.6-10.3 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 6.8-10.6 HB ILE 15 - HB2 LYS 13 far 0 82 0 - 6.9-7.3 HB ILE 15 - HB3 LYS 13 far 0 82 0 - 6.9-7.2 HD3 LYS 20 - HB2 LYS 13 far 0 81 0 - 7.7-10.3 HD2 LYS 20 - HB2 LYS 13 far 0 85 0 - 7.7-9.5 HG12 ILE 15 - HB2 LYS 13 far 0 99 0 - 8.0-8.4 HG12 ILE 15 - HB3 LYS 13 far 0 99 0 - 8.2-8.8 HD2 LYS 90 - HB3 LYS 13 far 0 63 0 - 8.3-12.0 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 8.4-12.3 HD3 LYS 20 - HB3 LYS 13 far 0 80 0 - 8.5-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 85 0 - 8.5-10.3 HG3 LYS 20 - HB2 LYS 13 far 0 81 0 - 8.9-10.9 HG3 LYS 20 - HB3 LYS 13 far 0 80 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 503 from cnoeabs.peaks (2.96, 1.92, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: * HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-4.1 5.0=78, 565/3.0=26...(102) HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.0-3.4 5.0=78, 565/3.0=26...(98) HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.9-4.7 5.0=78, 565/3.0=26...(99) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.7-3.4 5.0=78, 565/3.0=26...(97) HB3 ASP 11 + HB2 LYS 13 OK 57 70 100 82 4.6-5.4 8379/4.6=24, ~8363=20...(13) HB3 ASP 11 + HB3 LYS 13 OK 56 69 100 81 4.5-5.5 8379/4.6=24, ~8363=20...(12) HE3 LYS 90 - HB2 LYS 13 lone 3 87 40 8 5.7-10.6 11024/753=5, 9045/760=2 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.2-9.3 HE3 LYS 90 - HB3 LYS 13 far 0 87 0 - 7.4-12.2 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 8.3-10.6 HB2 SER 9 - HB3 LYS 13 far 0 75 0 - 8.6-10.8 HB2 SER 9 - HB2 LYS 13 far 0 75 0 - 8.7-10.6 HB2 ASN 10 - HB3 LYS 13 far 0 73 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 504 from cnoeabs.peaks (2.96, 1.92, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: * HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.0-3.4 5.0=78, 565/3.0=26...(98) HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-4.1 5.0=78, 565/3.0=26...(102) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.7-3.4 5.0=78, 565/3.0=26...(97) HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.9-4.7 5.0=78, 565/3.0=26...(99) HB3 ASP 11 + HB2 LYS 13 OK 52 65 100 80 4.6-5.4 8379/4.6=22, ~8363=20...(13) HB3 ASP 11 + HB3 LYS 13 OK 52 65 100 79 4.5-5.5 8379/4.6=22, ~8363=20...(12) HE3 LYS 90 - HB2 LYS 13 lone 3 90 40 8 5.7-10.6 11024/753=5, 9045/760=2 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.2-9.3 HE3 LYS 90 - HB3 LYS 13 far 0 89 0 - 7.4-12.2 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 8.3-10.6 HB2 SER 9 - HB3 LYS 13 far 0 71 0 - 8.6-10.8 HB2 SER 9 - HB2 LYS 13 far 0 71 0 - 8.7-10.6 HB2 ASN 10 - HB3 LYS 13 far 0 77 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 505 from cnoeabs.peaks (7.55, 1.92, 31.45 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: H LEU 14 + HB3 LYS 13 OK 98 100 100 98 3.8-3.9 6182/4.0=43, 4.6=42...(20) * H LEU 14 + HB2 LYS 13 OK 97 100 100 97 3.2-3.5 6182/4.0=43, 4.6=42...(19) H GLU 88 - HB2 LYS 13 far 0 93 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 506 from cnoeabs.peaks (8.07, 1.91, 31.45 ppm; 3.02 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 13 + HB3 LYS 13 OK 97 100 100 97 2.5-2.8 6175=50, 6177/3.0=37...(22) H LYS 13 + HB2 LYS 13 OK 97 100 100 97 3.6-3.6 6175=50, 6177/3.0=37...(21) H GLU 17 - HB2 LYS 13 far 0 98 0 - 4.9-5.5 H ILE 15 - HB2 LYS 13 far 0 100 0 - 5.5-5.8 H GLU 17 - HB3 LYS 13 far 0 98 0 - 5.8-6.6 H ILE 15 - HB3 LYS 13 far 0 100 0 - 5.9-6.1 H LYS 90 - HB2 LYS 13 far 0 79 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 507 from cnoeabs.peaks (4.15, 1.91, 31.45 ppm; 3.10 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.3-2.4 3.0=100 HA LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.5-2.6 3.0=100 HB3 SER 85 - HB2 LYS 13 far 0 65 0 - 7.5-8.6 HB3 SER 85 - HB3 LYS 13 far 0 65 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 508 from cnoeabs.peaks (1.92, 1.91, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 Reference assignment not found: HB2 LYS 13 - HB3 LYS 13 Peak 509 from cnoeabs.peaks (1.91, 1.91, 31.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 13 + HB3 LYS 13 OK 100 100 - 100 HB2 LYS 13 + HB2 LYS 13 OK 100 100 - 100 Peak 510 from cnoeabs.peaks (1.43, 1.91, 31.45 ppm; 3.19 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.7-2.8 3.0=100 HG2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 LYS 12 - HB3 LYS 13 far 10 96 10 - 3.8-6.9 HG2 LYS 12 - HB2 LYS 13 far 0 96 0 - 4.9-7.9 HG2 LYS 20 - HB2 LYS 13 far 0 82 0 - 9.1-10.3 HG12 ILE 7 - HB2 LYS 13 far 0 100 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 511 from cnoeabs.peaks (1.50, 1.91, 31.45 ppm; 3.18 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 LEU 14 - HB2 LYS 13 far 0 85 0 - 4.9-5.4 HB2 LEU 14 - HB3 LYS 13 far 0 85 0 - 6.1-6.3 Violated in 0 structures by 0.00 A. Peak 512 from cnoeabs.peaks (1.70, 1.91, 31.45 ppm; 3.52 A): 5 out of 24 assignments used, quality = 1.00: * HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.2 3.6=94, 487/3.0=27...(113) HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 487/3.0=25...(113) HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-3.9 3.6=94, 487/3.0=27...(115) HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.1-4.1 3.6=94, 487/3.0=25...(115) HG2 PRO 86 + HB2 LYS 13 OK 44 99 95 46 3.7-5.0 ~10957=13, 9887/586=11...(12) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 5.3-6.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 5.5-8.8 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 6.0-8.2 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.2-9.9 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-9.1 HD2 LYS 90 - HB2 LYS 13 far 0 59 0 - 6.6-10.3 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 6.8-10.6 HB ILE 15 - HB2 LYS 13 far 0 79 0 - 6.9-7.3 HB ILE 15 - HB3 LYS 13 far 0 79 0 - 6.9-7.2 HD3 LYS 20 - HB2 LYS 13 far 0 84 0 - 7.7-10.3 HD2 LYS 20 - HB2 LYS 13 far 0 88 0 - 7.7-9.5 HG12 ILE 15 - HB2 LYS 13 far 0 100 0 - 8.0-8.4 HG12 ILE 15 - HB3 LYS 13 far 0 100 0 - 8.2-8.8 HD2 LYS 90 - HB3 LYS 13 far 0 59 0 - 8.3-12.0 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 8.4-12.3 HD3 LYS 20 - HB3 LYS 13 far 0 84 0 - 8.5-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 88 0 - 8.5-10.3 HG3 LYS 20 - HB2 LYS 13 far 0 84 0 - 8.9-10.9 HG3 LYS 20 - HB3 LYS 13 far 0 84 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 513 from cnoeabs.peaks (1.70, 1.91, 31.45 ppm; 3.52 A): 5 out of 24 assignments used, quality = 1.00: * HD3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.4-4.2 3.6=94, 488/3.0=25...(113) HD2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.1-4.2 3.6=94, 488/3.0=27...(113) HD3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.1-4.1 3.6=94, 488/3.0=25...(115) HD2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.2-3.9 3.6=94, 488/3.0=27...(115) HG2 PRO 86 + HB2 LYS 13 OK 44 99 95 46 3.7-5.0 ~10957=13, 9887/586=11...(12) HG2 PRO 86 - HB3 LYS 13 far 0 99 0 - 5.3-6.6 HD3 LYS 12 - HB3 LYS 13 far 0 100 0 - 5.5-8.8 HD2 LYS 12 - HB3 LYS 13 far 0 100 0 - 6.0-8.2 HD3 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.2-9.9 HD2 LYS 12 - HB2 LYS 13 far 0 100 0 - 6.6-9.1 HD2 LYS 90 - HB2 LYS 13 far 0 63 0 - 6.6-10.3 HD3 LYS 90 - HB2 LYS 13 far 0 100 0 - 6.8-10.6 HB ILE 15 - HB2 LYS 13 far 0 82 0 - 6.9-7.3 HB ILE 15 - HB3 LYS 13 far 0 82 0 - 6.9-7.2 HD3 LYS 20 - HB2 LYS 13 far 0 80 0 - 7.7-10.3 HD2 LYS 20 - HB2 LYS 13 far 0 85 0 - 7.7-9.5 HG12 ILE 15 - HB2 LYS 13 far 0 99 0 - 8.0-8.4 HG12 ILE 15 - HB3 LYS 13 far 0 99 0 - 8.2-8.8 HD2 LYS 90 - HB3 LYS 13 far 0 63 0 - 8.3-12.0 HD3 LYS 90 - HB3 LYS 13 far 0 100 0 - 8.4-12.3 HD3 LYS 20 - HB3 LYS 13 far 0 81 0 - 8.5-11.6 HD2 LYS 20 - HB3 LYS 13 far 0 85 0 - 8.5-10.3 HG3 LYS 20 - HB2 LYS 13 far 0 80 0 - 8.9-10.9 HG3 LYS 20 - HB3 LYS 13 far 0 81 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 514 from cnoeabs.peaks (2.96, 1.91, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: * HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.9-4.7 5.0=78, 565/3.0=26...(99) HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.7-3.4 5.0=78, 565/3.0=26...(97) HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-4.1 5.0=78, 565/3.0=26...(102) HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.0-3.4 5.0=78, 565/3.0=26...(98) HB3 ASP 11 + HB2 LYS 13 OK 57 69 100 82 4.6-5.4 8379/4.6=24, ~8363=20...(13) HB3 ASP 11 + HB3 LYS 13 OK 56 70 100 81 4.5-5.5 8379/4.6=24, ~8363=20...(12) HE3 LYS 90 - HB2 LYS 13 lone 3 87 40 8 5.7-10.6 11024/753=5, 9045/760=2 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.2-9.3 HE3 LYS 90 - HB3 LYS 13 far 0 87 0 - 7.4-12.2 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 8.3-10.6 HB2 SER 9 - HB3 LYS 13 far 0 75 0 - 8.6-10.8 HB2 SER 9 - HB2 LYS 13 far 0 75 0 - 8.7-10.6 HB2 ASN 10 - HB3 LYS 13 far 0 73 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 515 from cnoeabs.peaks (2.96, 1.91, 31.45 ppm; 4.61 A): 6 out of 13 assignments used, quality = 1.00: * HE3 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.7-3.4 5.0=78, 565/3.0=26...(97) HE2 LYS 13 + HB3 LYS 13 OK 100 100 100 100 2.9-4.7 5.0=78, 565/3.0=26...(99) HE3 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.0-3.4 5.0=78, 565/3.0=26...(98) HE2 LYS 13 + HB2 LYS 13 OK 100 100 100 100 2.3-4.1 5.0=78, 565/3.0=26...(102) HB3 ASP 11 + HB2 LYS 13 OK 52 65 100 80 4.6-5.4 8379/4.6=22, ~8363=20...(13) HB3 ASP 11 + HB3 LYS 13 OK 52 65 100 79 4.5-5.5 8379/4.6=22, ~8363=20...(12) HE3 LYS 90 - HB2 LYS 13 lone 3 89 40 8 5.7-10.6 11024/753=5, 9045/760=2 HE3 LYS 12 - HB3 LYS 13 far 0 100 0 - 7.2-9.3 HE3 LYS 90 - HB3 LYS 13 far 0 90 0 - 7.4-12.2 HE3 LYS 12 - HB2 LYS 13 far 0 100 0 - 8.3-10.6 HB2 SER 9 - HB3 LYS 13 far 0 71 0 - 8.6-10.8 HB2 SER 9 - HB2 LYS 13 far 0 71 0 - 8.7-10.6 HB2 ASN 10 - HB3 LYS 13 far 0 77 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 516 from cnoeabs.peaks (7.55, 1.91, 31.45 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 14 + HB3 LYS 13 OK 98 100 100 98 3.8-3.9 6182/4.0=43, 4.6=42...(20) H LEU 14 + HB2 LYS 13 OK 97 100 100 97 3.2-3.5 6182/4.0=43, 4.6=42...(19) H GLU 88 - HB2 LYS 13 far 0 93 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 517 from cnoeabs.peaks (8.07, 1.43, 25.00 ppm; 3.87 A): 4 out of 10 assignments used, quality = 1.00: * H LYS 13 + HG2 LYS 13 OK 100 100 100 100 1.9-2.2 6177/1.8=79, 2.9/518=59...(29) H LYS 13 + HG2 LYS 12 OK 90 92 100 98 2.6-4.3 3.6/384=56, 6176=49...(14) H ILE 15 + HG2 LYS 13 OK 87 100 100 87 4.1-4.4 6209/6191=41...(17) H GLU 17 + HG2 LYS 20 OK 46 58 100 79 4.5-5.2 ~894=18, 6219/2.8=16...(22) H ILE 15 - HG2 LYS 12 far 0 92 0 - 5.4-6.9 H GLU 17 - HG2 LYS 13 far 0 98 0 - 6.0-6.5 H GLU 17 - HG2 LYS 12 far 0 88 0 - 6.7-9.1 H LYS 90 - HG2 LYS 20 far 0 42 0 - 7.1-9.6 H ILE 15 - HG2 LYS 20 far 0 62 0 - 8.3-8.8 H LYS 90 - HG2 LYS 13 far 0 79 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 518 from cnoeabs.peaks (4.15, 1.43, 25.00 ppm; 3.88 A): 1 out of 7 assignments used, quality = 1.00: * HA LYS 13 + HG2 LYS 13 OK 100 100 100 100 3.5-3.6 3.9=97, 486/1.8=87...(52) HA LYS 13 - HG2 LYS 12 far 14 92 15 - 2.9-6.4 HB3 SER 85 - HG2 LYS 13 far 0 65 0 - 7.5-8.8 HA GLU 23 - HG2 LYS 20 far 0 61 0 - 7.9-8.6 HA LYS 13 - HG2 LYS 20 far 0 62 0 - 8.1-8.9 HB2 SER 59 - HG2 LYS 13 far 0 100 0 - 8.3-10.1 HB2 SER 59 - HG2 LYS 12 far 0 91 0 - 9.5-13.4 Violated in 0 structures by 0.00 A. Peak 519 from cnoeabs.peaks (1.92, 1.43, 25.00 ppm; 3.18 A): 6 out of 20 assignments used, quality = 1.00: * HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.7-2.8 3.0=100 HB3 LEU 14 + HG2 LYS 13 OK 79 97 100 81 3.4-3.6 3.8/6191=24...(32) HB3 LYS 20 + HG2 LYS 20 OK 54 54 100 100 2.8-3.0 3.0=100 HB2 LYS 20 + HG2 LYS 20 OK 44 44 100 100 2.5-2.9 3.0=100 HB3 ARG 19 + HG2 LYS 20 OK 22 58 80 48 3.1-5.0 4.1/6309=17, 798/3.7=17...(10) HB2 ARG 19 - HG2 LYS 20 poor 18 48 90 43 3.5-5.1 797/4.9=17, 788/3.7=10...(9) HB2 GLU 17 - HG2 LYS 20 poor 12 47 25 - 4.4-6.6 HB3 LYS 13 - HG2 LYS 12 far 9 92 10 - 3.8-6.9 HB2 LYS 13 - HG2 LYS 12 far 0 92 0 - 4.9-7.9 HB2 GLU 17 - HG2 LYS 13 far 0 85 0 - 6.2-8.8 HB3 LEU 14 - HG2 LYS 12 far 0 86 0 - 6.8-8.6 HB3 ARG 19 - HG2 LYS 12 far 0 87 0 - 8.8-12.1 HB2 ARG 19 - HG2 LYS 12 far 0 75 0 - 8.8-12.0 HB2 GLU 17 - HG2 LYS 12 far 0 73 0 - 8.9-12.4 HB2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-10.3 HB2 LYS 94 - HG2 LYS 20 far 0 61 0 - 9.5-14.4 HB2 LYS 33 - HG2 LYS 12 far 0 92 0 - 9.6-13.6 HB3 LEU 14 - HG2 LYS 20 far 0 57 0 - 9.7-10.6 HB2 ARG 19 - HG2 LYS 13 far 0 87 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 520 from cnoeabs.peaks (1.91, 1.43, 25.00 ppm; 3.18 A): 6 out of 20 assignments used, quality = 1.00: * HB3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.7-2.8 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 2.8-3.0 3.0=100 HB3 LEU 14 + HG2 LYS 13 OK 80 98 100 81 3.4-3.6 602/6191=24...(32) HB3 LYS 20 + HG2 LYS 20 OK 52 52 100 100 2.8-3.0 3.0=100 HB2 LYS 20 + HG2 LYS 20 OK 47 47 100 100 2.5-2.9 3.0=100 HB3 ARG 19 + HG2 LYS 20 OK 21 56 80 48 3.1-5.0 4.1/6309=17, 798/3.7=16...(10) HB2 ARG 19 - HG2 LYS 20 poor 20 50 90 44 3.5-5.1 797/4.9=18, 788/3.7=10...(9) HB2 GLU 17 - HG2 LYS 20 poor 11 44 25 - 4.4-6.6 HB3 LYS 13 - HG2 LYS 12 far 9 92 10 - 3.8-6.9 HB2 LYS 13 - HG2 LYS 12 far 0 92 0 - 4.9-7.9 HB2 GLU 17 - HG2 LYS 13 far 0 82 0 - 6.2-8.8 HB3 LEU 14 - HG2 LYS 12 far 0 88 0 - 6.8-8.6 HB3 ARG 19 - HG2 LYS 12 far 0 85 0 - 8.8-12.1 HB2 ARG 19 - HG2 LYS 12 far 0 78 0 - 8.8-12.0 HB2 GLU 17 - HG2 LYS 12 far 0 70 0 - 8.9-12.4 HB2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.1-10.3 HB2 LYS 94 - HG2 LYS 20 far 0 61 0 - 9.5-14.4 HB2 LYS 33 - HG2 LYS 12 far 0 92 0 - 9.6-13.6 HB3 LEU 14 - HG2 LYS 20 far 0 58 0 - 9.7-10.6 HB2 ARG 19 - HG2 LYS 13 far 0 90 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 521 from cnoeabs.peaks (1.43, 1.43, 25.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 13 + HG2 LYS 13 OK 100 100 - 100 HG2 LYS 12 + HG2 LYS 12 OK 85 85 - 100 HG2 LYS 20 + HG2 LYS 20 OK 44 44 - 100 Peak 522 from cnoeabs.peaks (1.50, 1.43, 25.00 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 14 - HG2 LYS 13 far 0 85 0 - 4.1-4.5 HG3 LYS 13 - HG2 LYS 12 far 0 92 0 - 5.1-7.6 HG3 LYS 24 - HG2 LYS 20 far 0 59 0 - 7.5-10.1 HB2 LEU 14 - HG2 LYS 12 far 0 73 0 - 7.9-9.8 HB ILE 7 - HG2 LYS 20 far 0 47 0 - 9.1-9.7 HB2 LEU 14 - HG2 LYS 20 far 0 47 0 - 9.3-10.7 HG LEU 57 - HG2 LYS 20 far 0 62 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 523 from cnoeabs.peaks (1.70, 1.43, 25.00 ppm; 2.77 A): 7 out of 36 assignments used, quality = 1.00: * HD2 LYS 13 + HG2 LYS 13 OK 98 100 100 98 2.3-2.7 3.0=82, 487/518=12...(65) HD3 LYS 13 + HG2 LYS 13 OK 98 100 100 98 2.3-2.7 3.0=82, 5.5/518=12...(65) HD2 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(66) HD3 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(64) HD2 LYS 20 + HG2 LYS 20 OK 48 49 100 99 2.4-2.6 2.8=91, 1.8/1729=11...(88) HG3 LYS 20 + HG2 LYS 20 OK 46 46 100 100 1.8-1.8 1.8=100 HD3 LYS 20 + HG2 LYS 20 OK 45 46 100 99 2.3-3.0 2.8=91, 1.8/1729=10...(92) HB ILE 15 - HG2 LYS 12 far 0 67 0 - 4.6-5.9 HD2 LYS 90 - HG2 LYS 20 far 0 30 0 - 4.9-9.2 HG2 PRO 86 - HG2 LYS 13 far 0 99 0 - 5.3-6.1 HD3 LYS 13 - HG2 LYS 12 far 0 92 0 - 5.3-8.4 HB ILE 15 - HG2 LYS 13 far 0 79 0 - 5.6-6.1 HD3 LYS 90 - HG2 LYS 20 far 0 62 0 - 5.7-10.7 HD2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 13 far 0 100 0 - 6.1-6.7 HD2 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.1-7.5 HG12 ILE 15 - HG2 LYS 12 far 0 91 0 - 6.2-8.3 HD3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.4-8.2 HD3 LYS 24 - HG2 LYS 20 far 0 62 0 - 6.6-11.6 HD2 LYS 24 - HG2 LYS 20 far 0 62 0 - 7.6-10.9 HD2 LYS 90 - HG2 LYS 13 far 0 59 0 - 7.7-11.8 HD2 LYS 33 - HG2 LYS 12 far 0 75 0 - 7.7-12.5 HB ILE 15 - HG2 LYS 20 far 0 42 0 - 8.2-8.9 HD3 LYS 33 - HG2 LYS 12 far 0 75 0 - 8.4-13.3 HD3 LYS 90 - HG2 LYS 13 far 0 100 0 - 8.5-11.8 HG2 PRO 86 - HG2 LYS 20 far 0 61 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 76 0 - 9.0-12.7 HG2 PRO 86 - HG2 LYS 12 far 0 90 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.3-12.2 HD2 LYS 20 - HG2 LYS 13 far 0 88 0 - 9.3-11.2 HD3 LYS 20 - HG2 LYS 13 far 0 84 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 61 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 524 from cnoeabs.peaks (1.70, 1.43, 25.00 ppm; 2.77 A): 7 out of 36 assignments used, quality = 1.00: * HD3 LYS 13 + HG2 LYS 13 OK 98 100 100 98 2.3-2.7 3.0=82, 5.5/518=12...(65) HD2 LYS 13 + HG2 LYS 13 OK 98 100 100 98 2.3-2.7 3.0=82, 488/518=12...(65) HD2 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(66) HD3 LYS 12 + HG2 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=80, 3.0/463=30...(64) HD2 LYS 20 + HG2 LYS 20 OK 46 47 100 99 2.4-2.6 2.8=91, 1.8/1729=11...(88) HG3 LYS 20 + HG2 LYS 20 OK 43 43 100 100 1.8-1.8 1.8=100 HD3 LYS 20 + HG2 LYS 20 OK 43 43 100 99 2.3-3.0 2.8=91, 1.8/1729=10...(92) HB ILE 15 - HG2 LYS 12 far 0 70 0 - 4.6-5.9 HD2 LYS 90 - HG2 LYS 20 far 0 32 0 - 4.9-9.2 HG2 PRO 86 - HG2 LYS 13 far 0 99 0 - 5.3-6.1 HD3 LYS 13 - HG2 LYS 12 far 0 92 0 - 5.3-8.4 HB ILE 15 - HG2 LYS 13 far 0 82 0 - 5.6-6.1 HD3 LYS 90 - HG2 LYS 20 far 0 61 0 - 5.7-10.7 HD2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 13 far 0 99 0 - 6.1-6.7 HD2 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.1-7.5 HG12 ILE 15 - HG2 LYS 12 far 0 90 0 - 6.2-8.3 HD3 LYS 12 - HG2 LYS 13 far 0 100 0 - 6.4-8.2 HD3 LYS 24 - HG2 LYS 20 far 0 61 0 - 6.6-11.6 HD2 LYS 24 - HG2 LYS 20 far 0 61 0 - 7.6-10.9 HD2 LYS 90 - HG2 LYS 13 far 0 63 0 - 7.7-11.8 HD2 LYS 33 - HG2 LYS 12 far 0 78 0 - 7.7-12.5 HB ILE 15 - HG2 LYS 20 far 0 44 0 - 8.2-8.9 HD3 LYS 33 - HG2 LYS 12 far 0 78 0 - 8.4-13.3 HD3 LYS 90 - HG2 LYS 13 far 0 100 0 - 8.5-11.8 HG2 PRO 86 - HG2 LYS 20 far 0 60 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 73 0 - 9.0-12.7 HG2 PRO 86 - HG2 LYS 12 far 0 89 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.3-12.2 HD2 LYS 20 - HG2 LYS 13 far 0 85 0 - 9.3-11.2 HD3 LYS 20 - HG2 LYS 13 far 0 81 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 62 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 60 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 62 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 69 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 525 from cnoeabs.peaks (2.96, 1.43, 25.00 ppm; 4.18 A): 4 out of 17 assignments used, quality = 1.00: * HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 3.4-4.2 3.8=100 HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 3.4-4.0 3.8=100 HE3 LYS 12 + HG2 LYS 12 OK 91 91 100 100 2.4-4.2 4.0=100 HB3 ASP 11 + HG2 LYS 13 OK 56 70 100 80 1.9-2.8 ~8363=21, 4.5/6154=19...(17) HG2 MET 21 - HG2 LYS 20 poor 11 52 40 54 5.2-8.1 12042/1.8=18...(9) HB2 ASN 10 - HG2 LYS 12 far 6 62 10 - 5.3-10.3 HE3 LYS 90 - HG2 LYS 20 far 2 48 5 - 5.6-10.2 HB3 ASP 11 - HG2 LYS 12 far 0 58 0 - 5.9-7.5 HB2 SER 9 - HG2 LYS 13 far 0 75 0 - 6.1-8.1 HE3 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.3-9.5 HE2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.7-10.1 HB2 SER 9 - HG2 LYS 12 far 0 64 0 - 6.9-11.4 HE3 LYS 90 - HG2 LYS 13 far 0 87 0 - 7.3-12.4 HE2 LYS 24 - HG2 LYS 20 far 0 62 0 - 7.4-11.4 HE3 LYS 24 - HG2 LYS 20 far 0 62 0 - 7.4-11.2 HB2 ASN 10 - HG2 LYS 13 far 0 73 0 - 7.4-8.2 HE3 LYS 12 - HG2 LYS 13 far 0 100 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 526 from cnoeabs.peaks (2.96, 1.43, 25.00 ppm; 4.18 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 13 + HG2 LYS 13 OK 100 100 100 100 3.4-4.0 3.8=100 HE2 LYS 13 + HG2 LYS 13 OK 100 100 100 100 3.4-4.2 3.8=100 HE3 LYS 12 + HG2 LYS 12 OK 91 91 100 100 2.4-4.2 4.0=100 HB3 ASP 11 + HG2 LYS 13 OK 52 65 100 79 1.9-2.8 ~8363=21, 4.5/6154=19...(17) HG2 MET 21 - HG2 LYS 20 poor 12 54 40 55 5.2-8.1 12042/1.8=18...(9) HB2 ASN 10 - HG2 LYS 12 far 7 65 10 - 5.3-10.3 HE3 LYS 90 - HG2 LYS 20 far 2 50 5 - 5.6-10.2 HB3 ASP 11 - HG2 LYS 12 far 0 55 0 - 5.9-7.5 HB2 SER 9 - HG2 LYS 13 far 0 71 0 - 6.1-8.1 HE3 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.3-9.5 HE2 LYS 13 - HG2 LYS 12 far 0 92 0 - 6.7-10.1 HB2 SER 9 - HG2 LYS 12 far 0 60 0 - 6.9-11.4 HE3 LYS 90 - HG2 LYS 13 far 0 90 0 - 7.3-12.4 HE2 LYS 24 - HG2 LYS 20 far 0 62 0 - 7.4-11.4 HE3 LYS 24 - HG2 LYS 20 far 0 62 0 - 7.4-11.2 HB2 ASN 10 - HG2 LYS 13 far 0 77 0 - 7.4-8.2 HE3 LYS 12 - HG2 LYS 13 far 0 100 0 - 7.9-9.0 HE2 LYS 94 - HG2 LYS 20 far 0 31 0 - 8.9-13.4 Violated in 0 structures by 0.00 A. Peak 527 from cnoeabs.peaks (7.55, 1.43, 25.00 ppm; 5.37 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 14 + HG2 LYS 13 OK 100 100 100 100 1.8-1.9 6191=100, 3.6/518=85...(29) H LEU 14 + HG2 LYS 12 OK 86 92 100 94 5.0-6.8 6186/384=62, 6185/4.7=53...(6) H LYS 24 + HG2 LYS 20 OK 24 51 85 56 6.0-7.0 6372/3.7=46...(5) H LEU 14 - HG2 LYS 20 far 0 62 0 - 9.1-9.9 H GLU 88 - HG2 LYS 13 far 0 93 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 528 from cnoeabs.peaks (8.07, 1.50, 25.00 ppm; 4.21 A): 1 out of 8 assignments used, quality = 1.00: * H LYS 13 + HG3 LYS 13 OK 100 100 100 100 2.8-3.7 6177=100, 2.9/486=77...(23) H ILE 15 - HG3 LYS 13 far 15 100 15 - 5.1-5.9 H SER 102 - HG3 LYS 53 lone 5 53 55 17 4.0-7.6 3.6/10616=10...(5) H GLU 75 - HG2 LYS 73 far 0 100 0 - 5.8-6.1 H GLU 17 - HG3 LYS 13 far 0 98 0 - 6.0-7.7 H LYS 39 - HG3 LYS 33 far 0 92 0 - 8.4-9.9 H LYS 39 - HG2 LYS 73 far 0 99 0 - 8.5-10.8 H LYS 90 - HG3 LYS 13 far 0 79 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 529 from cnoeabs.peaks (4.15, 1.50, 25.00 ppm; 3.18 A): 3 out of 11 assignments used, quality = 1.00: * HA LYS 13 + HG3 LYS 13 OK 100 100 100 100 3.9-4.2 486=85, 518/1.8=50...(39) HA LYS 47 + HG2 LYS 47 OK 97 97 100 100 2.4-3.4 2126=58, 2.9/6772=40...(57) HA LYS 73 + HG2 LYS 73 OK 92 94 100 99 2.5-3.3 3231=52, 3.0/7207=39...(44) HA GLN 72 - HG2 LYS 73 far 0 100 0 - 5.4-6.0 HA MET 1 - HG3 LYS 53 far 0 60 0 - 6.3-8.7 HA GLU 23 - HG3 LYS 24 far 0 95 0 - 6.6-7.8 HB3 SER 85 - HG3 LYS 13 far 0 65 0 - 7.0-8.9 HA GLU 99 - HG3 LYS 53 far 0 38 0 - 7.2-9.8 HA GLU 98 - HG3 LYS 53 far 0 36 0 - 7.9-10.9 HB2 SER 59 - HG3 LYS 13 far 0 100 0 - 8.9-10.8 HA GLU 104 - HG3 LYS 53 far 0 42 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 530 from cnoeabs.peaks (1.92, 1.50, 25.00 ppm; 2.72 A): 5 out of 19 assignments used, quality = 1.00: * HB2 LYS 13 + HG3 LYS 13 OK 97 100 100 97 2.2-2.8 3.0=77, 3.0/486=34...(48) HB3 LYS 13 + HG3 LYS 13 OK 97 100 100 97 2.2-3.0 3.0=77, 3.0/486=34...(48) HB3 LYS 47 + HG2 LYS 47 OK 96 98 100 98 2.3-3.0 3.0=77, 2146/6772=24...(61) HB2 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(37) HB3 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.5-2.7 2.8=87, 3.0/1418=33...(36) HB3 LEU 14 - HG3 LYS 13 far 15 97 15 - 3.8-5.1 HB2 GLU 43 - HG2 LYS 47 far 5 98 5 - 4.2-8.7 HB VAL 32 - HG3 LYS 33 far 0 77 0 - 4.9-5.4 HB2 MET 1 - HG3 LYS 53 far 0 45 0 - 5.1-7.9 HB3 LYS 20 - HG3 LYS 24 far 0 88 0 - 5.5-7.6 HB2 LYS 94 - HG3 LYS 24 far 0 96 0 - 5.9-10.5 HB VAL 54 - HG3 LYS 53 far 0 38 0 - 6.0-8.3 HB2 LYS 20 - HG3 LYS 24 far 0 76 0 - 7.0-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 85 0 - 7.0-9.5 HB ILE 8 - HG3 LYS 33 far 0 81 0 - 8.2-9.3 HG LEU 42 - HG2 LYS 73 far 0 91 0 - 9.0-11.8 HG LEU 42 - HG2 LYS 47 far 0 90 0 - 9.6-13.8 HG3 GLU 88 - HG3 LYS 13 far 0 82 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 79 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 531 from cnoeabs.peaks (1.91, 1.50, 25.00 ppm; 2.72 A): 5 out of 19 assignments used, quality = 1.00: * HB3 LYS 13 + HG3 LYS 13 OK 97 100 100 97 2.2-3.0 3.0=77, 3.0/486=34...(48) HB2 LYS 13 + HG3 LYS 13 OK 97 100 100 97 2.2-2.8 3.0=77, 3.0/486=34...(48) HB3 LYS 47 + HG2 LYS 47 OK 96 98 100 98 2.3-3.0 3.0=77, 2146/6772=24...(61) HB3 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.5-2.7 2.8=87, 3.0/1418=33...(36) HB2 LYS 33 + HG3 LYS 33 OK 93 94 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(37) HB3 LEU 14 - HG3 LYS 13 far 15 98 15 - 3.8-5.1 HB2 GLU 43 - HG2 LYS 47 far 5 98 5 - 4.2-8.7 HB VAL 32 - HG3 LYS 33 far 0 74 0 - 4.9-5.4 HB2 MET 1 - HG3 LYS 53 far 0 43 0 - 5.1-7.9 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 5.5-7.6 HB2 LYS 94 - HG3 LYS 24 far 0 95 0 - 5.9-10.5 HB VAL 54 - HG3 LYS 53 far 0 40 0 - 6.0-8.3 HB2 LYS 20 - HG3 LYS 24 far 0 79 0 - 7.0-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 82 0 - 7.0-9.5 HB ILE 8 - HG3 LYS 33 far 0 84 0 - 8.2-9.3 HG LEU 42 - HG2 LYS 73 far 0 93 0 - 9.0-11.8 HG LEU 42 - HG2 LYS 47 far 0 92 0 - 9.6-13.8 HG3 GLU 88 - HG3 LYS 13 far 0 79 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 76 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 532 from cnoeabs.peaks (1.43, 1.50, 25.00 ppm; 2.40 A): 3 out of 25 assignments used, quality = 1.00: * HG2 LYS 13 + HG3 LYS 13 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 53 + HG3 LYS 53 OK 36 40 100 90 2.3-3.0 3.0=53, 1.8/2453=14...(36) HG2 LYS 53 + HG3 LYS 53 OK 36 36 100 100 1.8-1.8 1.8=100 HG2 LYS 12 - HG3 LYS 13 far 0 96 0 - 5.1-7.6 QB ALA 71 - HG2 LYS 73 far 0 91 0 - 5.6-7.0 HG13 ILE 52 - HG3 LYS 53 far 0 43 0 - 6.1-7.9 HG3 LYS 39 - HG2 LYS 73 far 0 98 0 - 6.2-10.2 QB ALA 22 - HG3 LYS 24 far 0 96 0 - 6.2-8.3 HG13 ILE 76 - HG2 LYS 47 far 0 99 0 - 6.8-10.4 HG LEU 38 - HG3 LYS 33 far 0 69 0 - 7.4-9.7 HG2 LYS 20 - HG3 LYS 24 far 0 76 0 - 7.5-10.1 HB2 LEU 38 - HG3 LYS 33 far 0 76 0 - 7.6-8.9 HB2 LEU 27 - HG3 LYS 24 far 0 76 0 - 7.8-10.4 HD3 LYS 40 - HG3 LYS 33 far 0 59 0 - 8.4-10.8 HG13 ILE 52 - HG2 LYS 47 far 0 80 0 - 8.5-12.6 QB ALA 71 - HG3 LYS 53 far 0 50 0 - 8.6-11.0 HD2 LYS 40 - HG3 LYS 33 far 0 61 0 - 8.9-12.0 HG LEU 38 - HG2 LYS 73 far 0 78 0 - 9.0-13.1 HB2 LEU 38 - HG2 LYS 73 far 0 84 0 - 9.1-11.6 HB2 LEU 27 - HG3 LYS 53 far 0 43 0 - 9.2-11.6 QB ALA 22 - HG3 LYS 53 far 0 59 0 - 9.4-11.0 HG12 ILE 7 - HG3 LYS 13 far 0 100 0 - 9.4-11.3 HG13 ILE 76 - HG2 LYS 73 far 0 99 0 - 9.5-10.9 HG3 LYS 39 - HG2 LYS 47 far 0 97 0 - 9.8-15.9 HD2 LYS 40 - HG2 LYS 47 far 0 68 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 533 from cnoeabs.peaks (1.50, 1.50, 25.00 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG3 LYS 13 + HG3 LYS 13 OK 100 100 - 100 HG2 LYS 73 + HG2 LYS 73 OK 99 99 - 100 HG2 LYS 47 + HG2 LYS 47 OK 99 99 - 100 HG3 LYS 24 + HG3 LYS 24 OK 94 94 - 100 HG3 LYS 33 + HG3 LYS 33 OK 93 93 - 100 HG3 LYS 53 + HG3 LYS 53 OK 40 40 - 100 Peak 534 from cnoeabs.peaks (1.70, 1.50, 25.00 ppm; 2.44 A): 11 out of 34 assignments used, quality = 1.00: * HD2 LYS 13 + HG3 LYS 13 OK 89 100 100 89 2.4-3.0 3.0=57, 487/486=11...(47) HD3 LYS 13 + HG3 LYS 13 OK 89 100 100 89 2.4-3.0 3.0=57, 487/486=10...(47) HD3 LYS 24 + HG3 LYS 24 OK 89 96 100 92 2.6-3.0 3.0=57, 1121/1.8=11...(48) HD2 LYS 24 + HG3 LYS 24 OK 89 96 100 92 2.2-3.0 3.0=57, 1121/1.8=11...(48) HD3 LYS 47 + HG2 LYS 47 OK 85 91 100 94 2.3-3.0 3.0=56, 2195/1.8=9...(66) HD2 LYS 47 + HG2 LYS 47 OK 84 90 100 93 2.3-3.0 3.0=56, 2195/1.8=9...(66) HD3 LYS 33 + HG3 LYS 33 OK 72 77 100 93 2.2-2.6 3.0=56, 1483/1.8=16...(46) HD2 LYS 33 + HG3 LYS 33 OK 72 77 100 93 2.7-3.0 3.0=56, 1483/1.8=16...(46) HD2 LYS 73 + HG2 LYS 73 OK 64 70 100 92 2.3-3.0 3.0=57, 1.8/3297=13...(51) HD3 LYS 73 + HG2 LYS 73 OK 61 66 100 93 2.5-3.0 3.0=57, 1.8/3297=13...(57) HB3 LYS 53 + HG3 LYS 53 OK 49 54 100 90 2.4-3.0 3.0=56, 2451/3.0=26...(25) HG2 PRO 86 - HG3 LYS 13 far 0 99 0 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 95 0 - 4.5-6.5 HG LEU 70 - HG2 LYS 73 far 0 100 0 - 5.7-7.5 HB2 LEU 2 - HG3 LYS 53 far 0 60 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 39 0 - 5.8-8.1 HG3 LYS 20 - HG3 LYS 24 far 0 77 0 - 6.2-9.8 HD3 LYS 12 - HG3 LYS 13 far 0 100 0 - 7.1-9.6 HB ILE 15 - HG3 LYS 13 far 0 79 0 - 7.1-7.5 HD2 LYS 12 - HG3 LYS 13 far 0 100 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 77 0 - 7.3-11.3 HG12 ILE 15 - HG3 LYS 13 far 0 100 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 86 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 100 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 82 0 - 8.2-11.1 HD2 LYS 90 - HG3 LYS 13 far 0 59 0 - 8.3-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 100 0 - 8.3-12.4 HB ILE 52 - HG2 LYS 47 far 0 75 0 - 9.0-12.4 HD3 LYS 90 - HG3 LYS 24 far 0 96 0 - 9.1-13.1 HD2 LYS 90 - HG3 LYS 24 far 0 54 0 - 9.4-13.6 HG12 ILE 15 - HG3 LYS 33 far 0 93 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 94 0 - 9.7-13.2 HD2 LYS 20 - HG3 LYS 13 far 0 88 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 94 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 535 from cnoeabs.peaks (1.70, 1.50, 25.00 ppm; 2.44 A): 11 out of 34 assignments used, quality = 1.00: HD2 LYS 13 + HG3 LYS 13 OK 89 100 100 89 2.4-3.0 3.0=57, 488/486=11...(47) * HD3 LYS 13 + HG3 LYS 13 OK 89 100 100 89 2.4-3.0 3.0=57, 488/486=10...(47) HD3 LYS 24 + HG3 LYS 24 OK 88 96 100 92 2.6-3.0 3.0=57, 1121/1.8=11...(48) HD2 LYS 24 + HG3 LYS 24 OK 88 95 100 92 2.2-3.0 3.0=57, 1121/1.8=11...(48) HD3 LYS 47 + HG2 LYS 47 OK 83 89 100 93 2.3-3.0 3.0=56, 2195/1.8=9...(66) HD2 LYS 47 + HG2 LYS 47 OK 82 88 100 93 2.3-3.0 3.0=56, 2195/1.8=9...(66) HD3 LYS 33 + HG3 LYS 33 OK 75 80 100 93 2.2-2.6 3.0=56, 1483/1.8=16...(46) HD2 LYS 33 + HG3 LYS 33 OK 75 80 100 93 2.7-3.0 3.0=56, 1483/1.8=16...(46) HD2 LYS 73 + HG2 LYS 73 OK 61 66 100 92 2.3-3.0 3.0=57, 1.8/3297=13...(51) HD3 LYS 73 + HG2 LYS 73 OK 58 62 100 93 2.5-3.0 3.0=57, 1.8/3297=13...(57) HB3 LYS 53 + HG3 LYS 53 OK 47 53 100 90 2.4-3.0 3.0=56, 2451/3.0=25...(25) HG2 PRO 86 - HG3 LYS 13 far 0 99 0 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 97 0 - 4.5-6.5 HG LEU 70 - HG2 LYS 73 far 0 99 0 - 5.7-7.5 HB2 LEU 2 - HG3 LYS 53 far 0 60 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 37 0 - 5.8-8.1 HG3 LYS 20 - HG3 LYS 24 far 0 74 0 - 6.2-9.8 HD3 LYS 12 - HG3 LYS 13 far 0 100 0 - 7.1-9.6 HB ILE 15 - HG3 LYS 13 far 0 82 0 - 7.1-7.5 HD2 LYS 12 - HG3 LYS 13 far 0 100 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 74 0 - 7.3-11.3 HG12 ILE 15 - HG3 LYS 13 far 0 99 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 84 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 100 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 79 0 - 8.2-11.1 HD2 LYS 90 - HG3 LYS 13 far 0 63 0 - 8.3-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 100 0 - 8.3-12.4 HB ILE 52 - HG2 LYS 47 far 0 71 0 - 9.0-12.4 HD3 LYS 90 - HG3 LYS 24 far 0 96 0 - 9.1-13.1 HD2 LYS 90 - HG3 LYS 24 far 0 58 0 - 9.4-13.6 HG12 ILE 15 - HG3 LYS 33 far 0 92 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 94 0 - 9.7-13.2 HD2 LYS 20 - HG3 LYS 13 far 0 85 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 94 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 536 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.30 A): 9 out of 22 assignments used, quality = 1.00: * HE2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.1-3.6 3.8=65, 474/1.8=20...(74) HE3 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.0-3.6 3.8=65, 474/1.8=19...(74) HE2 LYS 73 + HG2 LYS 73 OK 97 98 100 99 2.1-4.0 4.0=56, 3.0/3297=15...(111) HE2 LYS 24 + HG3 LYS 24 OK 96 96 100 99 2.0-3.9 3.7=70, 12306/3.7=14...(104) HE3 LYS 24 + HG3 LYS 24 OK 96 96 100 99 2.2-3.9 3.7=70, 6.2/1096=14...(103) HE3 LYS 73 + HG2 LYS 73 OK 95 96 100 99 2.2-3.7 4.0=56, 3.0/3297=15...(108) HE2 LYS 47 + HG2 LYS 47 OK 95 96 100 100 2.4-4.0 3.8=67, 2217/1.8=16...(121) HE3 LYS 47 + HG2 LYS 47 OK 95 96 100 99 2.3-3.8 3.8=67, 2217/1.8=16...(121) HB3 ASP 11 + HG3 LYS 13 OK 32 70 100 47 2.9-4.2 1.8/8363=12, 8365/3.0=7...(11) HB2 ASN 51 - HG3 LYS 53 far 0 55 0 - 5.9-8.4 HB3 PHE 45 - HG2 LYS 47 far 0 99 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 86 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 86 0 - 6.7-8.8 HB2 SER 9 - HG3 LYS 13 far 0 75 0 - 7.0-9.4 HE3 LYS 90 - HG3 LYS 13 far 0 87 0 - 7.9-12.9 HB2 ASN 10 - HG3 LYS 13 far 0 73 0 - 8.0-9.5 HE3 LYS 12 - HG3 LYS 13 far 0 100 0 - 8.6-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 59 0 - 8.8-11.1 HE3 LYS 12 - HG3 LYS 33 far 0 93 0 - 9.0-14.0 HB2 PHE 45 - HG3 LYS 53 far 0 47 0 - 9.1-11.0 HE3 LYS 90 - HG3 LYS 24 far 0 80 0 - 9.2-13.2 HB2 ASN 10 - HG3 LYS 33 far 0 64 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 537 from cnoeabs.peaks (2.96, 1.50, 25.00 ppm; 3.30 A): 9 out of 23 assignments used, quality = 1.00: * HE3 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.0-3.6 3.8=65, 565/1.8=19...(74) HE2 LYS 13 + HG3 LYS 13 OK 98 100 100 98 2.1-3.6 3.8=65, 474/1.8=20...(74) HE2 LYS 73 + HG2 LYS 73 OK 98 99 100 99 2.1-4.0 4.0=56, 3.0/3297=15...(111) HE3 LYS 73 + HG2 LYS 73 OK 96 97 100 99 2.2-3.7 4.0=56, 3.0/3297=15...(108) HE2 LYS 24 + HG3 LYS 24 OK 95 96 100 99 2.0-3.9 3.7=70, 6.2/1096=14...(104) HE3 LYS 24 + HG3 LYS 24 OK 95 96 100 99 2.2-3.9 3.7=70, 6.2/1096=14...(103) HE2 LYS 47 + HG2 LYS 47 OK 94 94 100 100 2.4-4.0 3.8=67, 2217/1.8=15...(121) HE3 LYS 47 + HG2 LYS 47 OK 94 94 100 99 2.3-3.8 3.8=67, 2217/1.8=15...(121) HB3 ASP 11 + HG3 LYS 13 OK 30 65 100 45 2.9-4.2 1.8/8363=12, 489/486=7...(11) HE2 LYS 94 - HG3 LYS 24 far 6 56 10 - 3.6-11.3 HB2 ASN 51 - HG3 LYS 53 far 0 56 0 - 5.9-8.4 HB3 PHE 45 - HG2 LYS 47 far 0 98 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 83 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 88 0 - 6.7-8.8 HB2 SER 9 - HG3 LYS 13 far 0 71 0 - 7.0-9.4 HE3 LYS 90 - HG3 LYS 13 far 0 90 0 - 7.9-12.9 HB2 ASN 10 - HG3 LYS 13 far 0 77 0 - 8.0-9.5 HE3 LYS 12 - HG3 LYS 13 far 0 100 0 - 8.6-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 58 0 - 8.8-11.1 HE3 LYS 12 - HG3 LYS 33 far 0 93 0 - 9.0-14.0 HB2 PHE 45 - HG3 LYS 53 far 0 45 0 - 9.1-11.0 HE3 LYS 90 - HG3 LYS 24 far 0 83 0 - 9.2-13.2 HB2 ASN 10 - HG3 LYS 33 far 0 68 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 538 from cnoeabs.peaks (7.55, 1.50, 25.00 ppm; 4.65 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 14 + HG3 LYS 13 OK 100 100 100 100 2.4-3.5 6182/6177=79, 3.6/486=77...(24) H LYS 24 + HG3 LYS 24 OK 84 84 100 100 3.5-4.7 6385/1.8=82, 3.0/1096=78...(25) H LEU 38 - HG3 LYS 33 poor 16 81 20 - 5.8-7.1 H ILE 76 - HG2 LYS 73 far 0 99 0 - 7.6-8.5 H GLU 88 - HG3 LYS 13 far 0 93 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 539 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 4.24 A): 7 out of 26 assignments used, quality = 1.00: * H LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.6-4.3 6177/3.0=71, 2.9/487=38...(35) H LYS 13 + HD3 LYS 13 OK 100 100 100 100 3.0-4.5 6177/3.0=71, 6175/3.6=38...(35) H LYS 13 + HD2 LYS 12 OK 60 96 65 96 4.4-5.8 6168/3.0=48, 6166/3.6=37...(10) H ILE 15 + HD2 LYS 13 OK 59 100 85 69 4.6-6.7 6208/5.5=19, 517/3.0=18...(13) H ILE 15 + HD3 LYS 13 OK 59 100 85 69 4.7-6.7 6208/5.5=19, 517/3.0=18...(13) H GLU 17 + HD2 LYS 20 OK 47 53 100 87 3.4-5.4 6219=21, 6250/12058=17...(28) H GLU 17 + HD3 LYS 20 OK 35 47 90 82 3.4-6.1 6219/1.8=21, ~894=16...(25) H LYS 13 - HD3 LYS 12 poor 19 96 20 - 4.7-6.4 H ILE 15 - HD2 LYS 12 far 14 96 15 - 5.0-6.5 H GLU 17 - HD2 LYS 13 poor 11 98 35 33 5.4-8.3 10427/5.5=17...(7) H GLU 17 - HD3 LYS 13 poor 11 98 35 32 5.5-8.5 10427/5.5=17...(7) H LYS 90 - HB3 ARG 91 far 2 36 5 - 4.8-6.2 H GLU 17 - HD2 LYS 12 far 0 92 0 - 6.1-8.8 H ILE 15 - HD3 LYS 12 far 0 96 0 - 6.1-7.8 H GLU 17 - HD3 LYS 12 far 0 92 0 - 6.3-10.4 H LYS 90 - HD2 LYS 13 far 0 79 0 - 7.3-12.1 H LYS 90 - HD3 LYS 13 far 0 79 0 - 7.4-12.5 H LYS 90 - HD2 LYS 20 far 0 38 0 - 7.6-10.5 H ILE 15 - HD2 LYS 20 far 0 57 0 - 7.6-9.8 H ILE 15 - HD3 LYS 20 far 0 51 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 34 0 - 7.9-10.9 H LYS 13 - HD2 LYS 20 far 0 57 0 - 8.8-10.9 H LYS 13 - HD3 LYS 20 far 0 51 0 - 8.8-12.1 H LYS 39 - HD3 LYS 33 far 0 48 0 - 9.5-11.2 H ILE 15 - HD2 LYS 33 far 0 50 0 - 9.7-11.4 H ILE 15 - HD3 LYS 33 far 0 50 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 540 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 3.70 A): 4 out of 22 assignments used, quality = 0.99: * HA LYS 13 + HD2 LYS 13 OK 90 100 90 100 4.0-5.5 486/3.0=63, 518/3.0=54...(67) HA LYS 13 + HD3 LYS 13 OK 65 100 65 100 4.0-5.4 486/3.0=63, 518/3.0=54...(66) HA LYS 47 + HD3 LYS 47 OK 49 49 100 100 4.4-5.0 2126/3.0=40, 2127/3.0=40...(102) HA LYS 47 + HD2 LYS 47 OK 47 47 100 100 3.9-4.9 2126/3.0=40, 2127/3.0=40...(102) HA LYS 13 - HD3 LYS 12 far 14 96 15 - 3.7-8.0 HA LYS 13 - HD2 LYS 12 far 14 96 15 - 4.2-7.2 HB3 SER 85 - HD3 LYS 13 far 3 65 5 - 5.2-9.6 HB3 SER 85 - HD2 LYS 13 far 0 65 0 - 5.4-10.0 HA GLU 104 - HB3 ARG 91 far 0 37 0 - 5.8-17.1 HA LYS 13 - HD2 LYS 20 far 0 57 0 - 6.4-8.5 HA LYS 13 - HD3 LYS 20 far 0 51 0 - 6.4-9.6 HA GLU 23 - HD3 LYS 24 far 0 99 0 - 6.7-8.8 HA GLU 23 - HD2 LYS 24 far 0 99 0 - 7.1-8.4 HB3 SER 85 - HB3 ARG 91 far 0 29 0 - 7.3-10.7 HB2 SER 59 - HD3 LYS 13 far 0 100 0 - 8.1-10.7 HB2 SER 59 - HD2 LYS 13 far 0 100 0 - 8.3-11.9 HB2 SER 59 - HD2 LYS 33 far 0 49 0 - 8.8-13.5 HA GLU 23 - HD2 LYS 20 far 0 55 0 - 9.0-10.4 HB2 SER 59 - HD3 LYS 33 far 0 49 0 - 9.1-13.3 HA GLU 98 - HD2 LYS 24 far 0 70 0 - 9.1-14.5 HA GLU 23 - HD3 LYS 20 far 0 49 0 - 9.2-10.7 HA GLU 98 - HD3 LYS 24 far 0 70 0 - 9.5-14.4 Violated in 1 structures by 0.01 A. Peak 541 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.88 A): 16 out of 66 assignments used, quality = 1.00: HB2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.1-4.1 3.6=52, 3.0/487=17...(86) * HB2 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.2-3.9 3.6=52, 3.0/487=18...(86) HB3 LYS 13 + HD3 LYS 13 OK 98 100 100 99 2.4-4.2 3.6=52, 3.0/487=17...(86) HB3 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.1-4.2 3.6=52, 3.0/487=18...(86) HB3 LEU 14 + HD2 LYS 13 OK 52 97 85 63 2.9-6.1 520/3.0=8, 3.1/10406=8...(21) HB3 LEU 14 + HD3 LYS 13 OK 52 97 85 63 3.1-5.8 520/3.0=8, 3.1/10406=7...(21) HB3 LYS 47 + HD3 LYS 47 OK 50 50 100 98 2.1-3.8 3.9=39, 2153/1.8=12...(113) HB2 LYS 33 + HD2 LYS 33 OK 49 50 100 98 2.3-2.7 3.5=54, 1430/1.8=13...(51) HB2 LYS 33 + HD3 LYS 33 OK 49 50 100 98 2.6-3.7 3.5=54, 1430/1.8=13...(51) HB3 LYS 33 + HD2 LYS 33 OK 49 50 100 98 3.5-3.8 3.5=54, 1442/1.8=13...(52) HB3 LYS 33 + HD3 LYS 33 OK 49 50 100 98 3.6-4.2 3.5=54, 1442/1.8=13...(52) HB3 LYS 47 + HD2 LYS 47 OK 48 49 100 98 2.5-3.9 3.9=39, 2153/1.8=12...(113) HB3 LYS 20 + HD2 LYS 20 OK 47 49 100 96 3.3-4.1 3.5=54, 871/5.9=11...(68) HB3 LYS 20 + HD3 LYS 20 OK 42 43 100 96 2.7-4.1 3.5=54, 2152/1.8=11...(68) HB2 LYS 20 + HD2 LYS 20 OK 38 40 100 95 2.4-3.6 3.5=54, 1.8/2153=10...(62) HB2 LYS 20 + HD3 LYS 20 OK 34 36 100 95 2.5-3.7 3.5=54, 1.8/2153=10...(62) HB2 ARG 19 - HD2 LYS 20 poor 17 44 40 - 3.3-7.1 HB3 ARG 19 - HD2 LYS 20 poor 11 53 20 - 3.8-7.2 HB2 GLU 43 - HD2 LYS 47 far 7 48 15 - 4.0-7.7 HB2 GLU 17 - HD2 LYS 20 far 6 43 15 - 3.4-6.6 HB2 GLU 43 - HD3 LYS 47 far 5 50 10 - 3.5-7.5 HB3 LYS 20 - HD3 LYS 24 far 5 93 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 20 far 2 37 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 0 53 0 - 4.5-7.7 HB2 GLU 17 - HD3 LYS 13 far 0 85 0 - 4.6-10.5 HB2 ARG 19 - HD3 LYS 20 far 0 38 0 - 4.6-7.0 HB2 GLU 17 - HD2 LYS 13 far 0 85 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 38 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 38 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 92 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 47 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 99 0 - 5.2-11.0 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 5.6-12.0 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.0-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 81 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 81 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.2-9.9 HG3 GLU 88 - HB3 ARG 91 far 0 38 0 - 6.4-8.2 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-9.1 HB2 ARG 19 - HD2 LYS 12 far 0 80 0 - 6.7-10.2 HB3 ARG 19 - HD2 LYS 12 far 0 92 0 - 6.7-10.6 HB ILE 8 - HD2 LYS 33 far 0 40 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 40 0 - 7.1-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 91 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 80 0 - 7.4-11.7 HB3 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.7-9.5 HB3 LEU 14 - HD3 LYS 12 far 0 91 0 - 8.1-9.7 HB3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 82 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 78 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 82 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 40 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 78 0 - 8.8-13.7 HB3 LEU 14 - HD3 LYS 20 far 0 46 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 52 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.5-15.0 HB3 ARG 19 - HD3 LYS 24 far 0 97 0 - 9.5-13.9 HB2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.6-14.5 HB2 ARG 19 - HD2 LYS 13 far 0 87 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 96 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 542 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.88 A): 16 out of 66 assignments used, quality = 1.00: HB2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.1-4.1 3.6=52, 3.0/487=17...(86) HB3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.4-4.2 3.6=52, 3.0/487=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.2-3.9 3.6=52, 3.0/487=18...(86) * HB3 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.1-4.2 3.6=52, 3.0/487=18...(86) HB3 LEU 14 + HD2 LYS 13 OK 52 98 85 63 2.9-6.1 520/3.0=8, 3.1/10406=8...(21) HB3 LEU 14 + HD3 LYS 13 OK 52 98 85 63 3.1-5.8 520/3.0=8, 3.1/10406=7...(21) HB3 LYS 33 + HD2 LYS 33 OK 49 50 100 98 3.5-3.8 3.5=54, 1442/1.8=13...(52) HB3 LYS 33 + HD3 LYS 33 OK 49 50 100 98 3.6-4.2 3.5=54, 1442/1.8=13...(52) HB2 LYS 33 + HD2 LYS 33 OK 49 50 100 98 2.3-2.7 3.5=54, 1441/1.8=13...(51) HB2 LYS 33 + HD3 LYS 33 OK 49 50 100 98 2.6-3.7 3.5=54, 1441/1.8=13...(51) HB3 LYS 47 + HD3 LYS 47 OK 49 50 100 98 2.1-3.8 3.9=39, 2153/1.8=12...(113) HB3 LYS 47 + HD2 LYS 47 OK 47 48 100 98 2.5-3.9 3.9=39, 2153/1.8=12...(113) HB3 LYS 20 + HD2 LYS 20 OK 45 47 100 96 3.3-4.1 3.5=54, 2152/1.8=10...(68) HB2 LYS 20 + HD2 LYS 20 OK 40 43 100 95 2.4-3.6 3.5=54, 1.8/2153=10...(62) HB3 LYS 20 + HD3 LYS 20 OK 40 42 100 96 2.7-4.1 3.5=54, 2152/1.8=11...(68) HB2 LYS 20 + HD3 LYS 20 OK 36 37 100 95 2.5-3.7 3.5=54, 1.8/2153=10...(62) HB2 ARG 19 - HD2 LYS 20 poor 18 46 40 - 3.3-7.1 HB3 ARG 19 - HD2 LYS 20 poor 10 51 20 - 3.8-7.2 HB2 GLU 43 - HD2 LYS 47 far 7 49 15 - 4.0-7.7 HB2 GLU 17 - HD2 LYS 20 far 6 40 15 - 3.4-6.6 HB2 GLU 43 - HD3 LYS 47 far 5 50 10 - 3.5-7.5 HB3 LYS 20 - HD3 LYS 24 far 5 91 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 20 far 2 36 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.5-7.7 HB2 GLU 17 - HD3 LYS 13 far 0 82 0 - 4.6-10.5 HB2 ARG 19 - HD3 LYS 20 far 0 40 0 - 4.6-7.0 HB2 GLU 17 - HD2 LYS 13 far 0 82 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 90 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 45 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 99 0 - 5.2-11.0 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 5.6-12.0 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.0-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 84 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 84 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.2-9.9 HG3 GLU 88 - HB3 ARG 91 far 0 36 0 - 6.4-8.2 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-9.1 HB2 ARG 19 - HD2 LYS 12 far 0 83 0 - 6.7-10.2 HB3 ARG 19 - HD2 LYS 12 far 0 90 0 - 6.7-10.6 HB ILE 8 - HD2 LYS 33 far 0 42 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 42 0 - 7.1-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 92 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 83 0 - 7.4-11.7 HB3 ARG 19 - HD3 LYS 12 far 0 90 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 51 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 57 0 - 7.7-9.5 HB3 LEU 14 - HD3 LYS 12 far 0 92 0 - 8.1-9.7 HB3 LYS 13 - HD3 LYS 20 far 0 51 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 57 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 79 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 75 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 79 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 38 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 75 0 - 8.8-13.7 HB3 LEU 14 - HD3 LYS 20 far 0 47 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 53 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 78 0 - 9.5-15.0 HB3 ARG 19 - HD3 LYS 24 far 0 95 0 - 9.5-13.9 HB2 LYS 20 - HD2 LYS 12 far 0 78 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.6-14.5 HB2 ARG 19 - HD2 LYS 13 far 0 90 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 95 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 543 from cnoeabs.peaks (1.43, 1.70, 28.93 ppm; 3.00 A): 7 out of 57 assignments used, quality = 1.00: * HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-2.7 3.0=100 HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-2.7 3.0=100 HG2 LYS 12 + HD3 LYS 12 OK 90 90 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HD2 LYS 12 OK 90 90 100 100 2.3-3.0 3.0=100 HG3 ARG 91 + HB3 ARG 91 OK 43 43 100 100 2.4-3.0 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 40 40 100 100 2.4-2.6 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 36 36 100 100 2.3-3.0 2.8=100 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.3-8.4 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.5 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-7.5 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.4-8.2 HG2 LYS 20 - HD3 LYS 24 far 0 81 0 - 6.6-11.6 QB ALA 22 - HD2 LYS 24 far 0 99 0 - 6.7-8.9 QB ALA 22 - HD3 LYS 24 far 0 99 0 - 6.7-8.6 QB ALA 22 - HD2 LYS 20 far 0 56 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 56 0 - 7.2-11.2 HB2 LEU 27 - HD3 LYS 24 far 0 81 0 - 7.5-10.8 HG2 LYS 20 - HD2 LYS 24 far 0 81 0 - 7.6-10.9 HG2 LYS 12 - HD2 LYS 33 far 0 45 0 - 7.7-12.5 HG LEU 29 - HD3 LYS 20 far 0 50 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 50 0 - 7.8-8.7 HG12 ILE 7 - HD2 LYS 13 far 0 100 0 - 7.9-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 81 0 - 8.0-11.5 HG LEU 38 - HD3 LYS 33 far 0 33 0 - 8.0-10.3 HG12 ILE 7 - HD3 LYS 13 far 0 100 0 - 8.1-11.4 HD2 LYS 40 - HD3 LYS 47 far 0 29 0 - 8.1-11.9 HG13 ILE 76 - HD3 LYS 47 far 0 51 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 49 0 - 8.4-11.3 HG2 LYS 12 - HD3 LYS 33 far 0 45 0 - 8.4-13.3 HB2 LEU 38 - HD3 LYS 33 far 0 37 0 - 8.5-10.5 HD2 LYS 40 - HD2 LYS 47 far 0 28 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 46 0 - 8.7-12.8 HG LEU 38 - HD2 LYS 33 far 0 33 0 - 8.7-11.3 HD3 LYS 40 - HD3 LYS 47 far 0 28 0 - 8.8-13.2 HG12 ILE 7 - HD3 LYS 33 far 0 49 0 - 8.9-10.3 HG2 LYS 12 - HD2 LYS 20 far 0 51 0 - 9.0-12.7 HB2 LEU 38 - HD2 LYS 33 far 0 37 0 - 9.0-11.8 HG12 ILE 7 - HD2 LYS 33 far 0 49 0 - 9.1-11.1 HG2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 95 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 37 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 53 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 27 0 - 9.5-13.1 HG LEU 29 - HD3 LYS 33 far 0 49 0 - 9.5-12.4 HG2 LYS 20 - HD3 LYS 13 far 0 82 0 - 9.5-13.3 HG3 ARG 91 - HD2 LYS 13 far 0 90 0 - 9.5-14.4 HG2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.5-12.9 HG2 LYS 12 - HD3 LYS 20 far 0 45 0 - 9.6-13.2 HG3 ARG 91 - HD3 LYS 13 far 0 89 0 - 9.6-14.4 HG3 LYS 39 - HD2 LYS 47 far 0 47 0 - 9.6-16.2 HD3 LYS 40 - HD3 LYS 33 far 0 27 0 - 9.6-13.1 HG LEU 29 - HD2 LYS 12 far 0 95 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 40 0 - 9.8-13.5 HG LEU 29 - HD2 LYS 33 far 0 49 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 544 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.51 A): 11 out of 40 assignments used, quality = 1.00: * HG3 LYS 13 + HD2 LYS 13 OK 92 100 100 92 2.4-3.0 3.0=62, 486/487=12...(39) HG3 LYS 13 + HD3 LYS 13 OK 92 100 100 92 2.4-3.0 3.0=62, 486/487=11...(39) HG3 LYS 24 + HD3 LYS 24 OK 91 98 100 93 2.6-3.0 3.0=62, 1096/4.9=12...(41) HG3 LYS 24 + HD2 LYS 24 OK 90 97 100 93 2.2-3.0 3.0=62, 1096/4.9=12...(41) HB2 ARG 91 + HB3 ARG 91 OK 51 51 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 48 51 100 94 2.3-3.0 3.0=60, 1.8/2175=11...(60) HG2 LYS 47 + HD2 LYS 47 OK 46 49 100 94 2.3-3.0 3.0=60, 1.8/2175=11...(60) HG3 LYS 33 + HD3 LYS 33 OK 44 49 100 91 2.2-2.6 3.0=61, 1495/3.0=12...(38) HG3 LYS 33 + HD2 LYS 33 OK 44 49 100 91 2.7-3.0 3.0=61, 1495/3.0=12...(38) HB2 LEU 14 + HD2 LYS 13 OK 34 85 85 47 2.7-6.8 245/3.0=6, 3.1/10406=6...(24) HB2 LEU 14 + HD3 LYS 13 OK 34 85 85 47 2.9-6.2 245/3.0=6, 3.1/10406=5...(24) HB3 LEU 103 - HB3 ARG 91 far 0 39 0 - 6.8-18.2 HG3 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.1-9.6 HG3 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.2-9.2 HG3 LYS 24 - HD3 LYS 20 far 0 48 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 54 0 - 7.3-9.3 HG LEU 6 - HD3 LYS 33 far 0 34 0 - 7.5-11.9 HG LEU 38 - HD3 LYS 33 far 0 24 0 - 8.0-10.3 HD2 LYS 40 - HD3 LYS 47 far 0 30 0 - 8.1-11.9 HG3 LYS 24 - HD2 LYS 20 far 0 54 0 - 8.2-11.1 HB ILE 7 - HD3 LYS 33 far 0 37 0 - 8.2-9.8 HB2 LEU 14 - HD2 LYS 12 far 0 78 0 - 8.4-10.2 HB ILE 7 - HD2 LYS 33 far 0 37 0 - 8.7-11.2 HD2 LYS 40 - HD2 LYS 47 far 0 29 0 - 8.7-11.7 HG LEU 38 - HD2 LYS 33 far 0 24 0 - 8.7-11.3 HG LEU 6 - HD2 LYS 33 far 0 34 0 - 8.8-13.4 HD3 LYS 40 - HD3 LYS 47 far 0 32 0 - 8.8-13.2 HB2 LEU 14 - HD3 LYS 20 far 0 37 0 - 9.0-11.5 HB2 LEU 14 - HD2 LYS 20 far 0 43 0 - 9.1-11.1 HG3 ARG 30 - HD3 LYS 33 far 0 29 0 - 9.1-11.4 HB2 LEU 14 - HD3 LYS 12 far 0 78 0 - 9.1-11.3 HB ILE 7 - HD2 LYS 12 far 0 78 0 - 9.4-10.7 HB2 LEU 14 - HB3 ARG 91 far 0 40 0 - 9.4-12.0 HD3 LYS 40 - HD2 LYS 47 far 0 30 0 - 9.5-13.1 HD3 LYS 40 - HD3 LYS 33 far 0 30 0 - 9.6-13.1 HG3 LYS 33 - HD2 LYS 12 far 0 95 0 - 9.7-13.2 HG3 LYS 66 - HD3 LYS 33 far 0 49 0 - 9.8-12.6 HB ILE 7 - HD2 LYS 20 far 0 43 0 - 9.9-11.5 HG3 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 95 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 545 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: * HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HB3 ARG 91 + HB3 ARG 91 OK 46 46 - 100 HD2 LYS 20 + HD2 LYS 20 OK 45 45 - 100 HD3 LYS 47 + HD3 LYS 47 OK 44 44 - 100 HD2 LYS 47 + HD2 LYS 47 OK 42 42 - 100 HD2 LYS 33 + HD2 LYS 33 OK 38 38 - 100 HD3 LYS 33 + HD3 LYS 33 OK 38 38 - 100 HD3 LYS 20 + HD3 LYS 20 OK 36 36 - 100 Peak 546 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HB3 ARG 91 + HB3 ARG 91 OK 45 45 - 100 HD2 LYS 20 + HD2 LYS 20 OK 43 43 - 100 HD3 LYS 47 + HD3 LYS 47 OK 42 42 - 100 HD2 LYS 47 + HD2 LYS 47 OK 40 40 - 100 HD2 LYS 33 + HD2 LYS 33 OK 39 39 - 100 HD3 LYS 33 + HD3 LYS 33 OK 39 39 - 100 HD3 LYS 20 + HD3 LYS 20 OK 35 35 - 100 Reference assignment not found: HD3 LYS 13 - HD2 LYS 13 Peak 547 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 16 out of 65 assignments used, quality = 1.00: * HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 474/3.0=11...(68) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-2.9 2.9=94, 474/3.0=11...(68) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 565/3.0=11...(68) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 565/3.0=11...(68) HE2 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 12 + HD2 LYS 12 OK 95 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(48) HE2 LYS 47 + HD3 LYS 47 OK 47 47 100 99 2.2-2.7 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 47 47 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 45 46 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 45 46 100 99 2.3-2.8 3.0=91, 2206/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 23 69 100 34 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 22 70 95 34 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 87 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 87 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 38 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 41 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 45 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 47 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 75 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 75 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 42 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 91 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 73 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 49 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 40 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 49 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 30 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 30 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 31 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 51 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 31 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 49 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 73 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 68 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 39 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 86 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 68 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 57 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 51 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.2-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 57 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 56 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 85 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 54 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 92 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 548 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 16 out of 70 assignments used, quality = 1.00: HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 474/3.0=11...(68) * HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 565/3.0=11...(68) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 565/3.0=11...(68) HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-2.9 2.9=94, 474/3.0=11...(68) HE2 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD3 LYS 24 OK 98 100 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(48) HE2 LYS 47 + HD3 LYS 47 OK 45 46 100 99 2.2-2.7 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 45 46 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 44 45 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 44 45 100 99 2.3-2.8 3.0=91, 2206/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 21 65 100 33 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 20 65 95 33 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE2 LYS 94 - HB3 ARG 91 poor 13 27 50 - 2.8-9.1 HE2 LYS 94 - HD3 LYS 24 far 3 60 5 - 3.7-12.9 HE2 LYS 94 - HD2 LYS 24 far 3 60 5 - 4.0-12.2 HE3 LYS 90 - HD2 LYS 20 far 0 46 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 89 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 90 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 40 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 43 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 46 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 71 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 71 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 70 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 93 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 77 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 92 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 49 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 38 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 50 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 49 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 59 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 32 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 70 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 32 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 50 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 48 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 77 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 59 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 65 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 37 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 88 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 65 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 57 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 50 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.2-12.0 HE2 LYS 94 - HD2 LYS 20 far 0 28 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 25 0 - 9.4-14.0 HE3 LYS 24 - HD2 LYS 20 far 0 57 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 56 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 88 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 54 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 94 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 51 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 549 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 4.46 A): 4 out of 15 assignments used, quality = 1.00: * H LEU 14 + HD2 LYS 13 OK 99 100 100 99 2.1-4.4 6191/3.0=59, 6192/3.0=42...(27) H LEU 14 + HD3 LYS 13 OK 99 100 100 99 2.2-4.2 6191/3.0=59, 6192/3.0=42...(28) H LYS 24 + HD3 LYS 24 OK 89 90 100 100 4.2-5.7 6385/3.0=65, ~1096=38...(26) H LYS 24 + HD2 LYS 24 OK 89 89 100 100 4.1-5.7 6385/3.0=65, ~1096=38...(26) H LEU 14 - HD2 LYS 12 far 10 96 10 - 5.8-7.6 H GLU 88 - HB3 ARG 91 far 7 46 15 - 4.3-6.2 H LEU 14 - HD3 LYS 12 far 0 96 0 - 6.4-8.5 H LEU 38 - HD3 LYS 33 far 0 40 0 - 7.0-8.4 H LYS 24 - HD3 LYS 20 far 0 41 0 - 7.4-8.8 H LYS 24 - HD2 LYS 20 far 0 46 0 - 7.5-8.7 H LEU 38 - HD2 LYS 33 far 0 40 0 - 7.6-9.5 H GLU 88 - HD3 LYS 13 far 0 93 0 - 7.6-12.1 H GLU 88 - HD2 LYS 13 far 0 93 0 - 7.7-12.6 H LEU 14 - HD2 LYS 20 far 0 57 0 - 8.2-10.2 H LEU 14 - HD3 LYS 20 far 0 51 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 550 from cnoeabs.peaks (8.07, 1.70, 28.93 ppm; 4.24 A): 7 out of 26 assignments used, quality = 1.00: * H LYS 13 + HD3 LYS 13 OK 100 100 100 100 3.0-4.5 6177/3.0=71, 6175/3.6=38...(35) H LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.6-4.3 6177/3.0=71, 2.9/488=38...(35) H LYS 13 + HD2 LYS 12 OK 60 96 65 96 4.4-5.8 6168/3.0=48, 6166/3.6=37...(10) H ILE 15 + HD2 LYS 13 OK 59 100 85 69 4.6-6.7 6208/5.5=19, 517/3.0=18...(13) H ILE 15 + HD3 LYS 13 OK 59 100 85 69 4.7-6.7 6208/5.5=19, 517/3.0=18...(13) H GLU 17 + HD2 LYS 20 OK 43 49 100 87 3.4-5.4 6219=21, 6250/12058=17...(28) H GLU 17 + HD3 LYS 20 OK 32 43 90 82 3.4-6.1 6219/1.8=21, ~894=16...(25) H LYS 13 - HD3 LYS 12 poor 19 96 20 - 4.7-6.4 H ILE 15 - HD2 LYS 12 far 14 96 15 - 5.0-6.5 H GLU 17 - HD2 LYS 13 poor 11 98 35 33 5.4-8.3 10427/5.5=17...(7) H GLU 17 - HD3 LYS 13 poor 11 98 35 32 5.5-8.5 10427/5.5=17...(7) H LYS 90 - HB3 ARG 91 far 2 34 5 - 4.8-6.2 H GLU 17 - HD2 LYS 12 far 0 92 0 - 6.1-8.8 H ILE 15 - HD3 LYS 12 far 0 96 0 - 6.1-7.8 H GLU 17 - HD3 LYS 12 far 0 92 0 - 6.3-10.4 H LYS 90 - HD2 LYS 13 far 0 79 0 - 7.3-12.1 H LYS 90 - HD3 LYS 13 far 0 79 0 - 7.4-12.5 H LYS 90 - HD2 LYS 20 far 0 35 0 - 7.6-10.5 H ILE 15 - HD2 LYS 20 far 0 53 0 - 7.6-9.8 H ILE 15 - HD3 LYS 20 far 0 46 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 30 0 - 7.9-10.9 H LYS 13 - HD2 LYS 20 far 0 53 0 - 8.8-10.9 H LYS 13 - HD3 LYS 20 far 0 46 0 - 8.8-12.1 H LYS 39 - HD3 LYS 33 far 0 52 0 - 9.5-11.2 H ILE 15 - HD2 LYS 33 far 0 54 0 - 9.7-11.4 H ILE 15 - HD3 LYS 33 far 0 54 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 551 from cnoeabs.peaks (4.15, 1.70, 28.93 ppm; 3.70 A): 4 out of 22 assignments used, quality = 0.99: HA LYS 13 + HD2 LYS 13 OK 90 100 90 100 4.0-5.5 486/3.0=63, 518/3.0=54...(67) * HA LYS 13 + HD3 LYS 13 OK 65 100 65 100 4.0-5.4 486/3.0=63, 518/3.0=54...(66) HA LYS 47 + HD3 LYS 47 OK 46 46 100 100 4.4-5.0 2126/3.0=40, 2127/3.0=40...(102) HA LYS 47 + HD2 LYS 47 OK 44 44 100 100 3.9-4.9 2126/3.0=40, 2127/3.0=40...(102) HA LYS 13 - HD3 LYS 12 far 14 96 15 - 3.7-8.0 HA LYS 13 - HD2 LYS 12 far 14 96 15 - 4.2-7.2 HB3 SER 85 - HD3 LYS 13 far 3 65 5 - 5.2-9.6 HB3 SER 85 - HD2 LYS 13 far 0 65 0 - 5.4-10.0 HA GLU 104 - HB3 ARG 91 far 0 35 0 - 5.8-17.1 HA LYS 13 - HD2 LYS 20 far 0 53 0 - 6.4-8.5 HA LYS 13 - HD3 LYS 20 far 0 46 0 - 6.4-9.6 HA GLU 23 - HD3 LYS 24 far 0 98 0 - 6.7-8.8 HA GLU 23 - HD2 LYS 24 far 0 98 0 - 7.1-8.4 HB3 SER 85 - HB3 ARG 91 far 0 27 0 - 7.3-10.7 HB2 SER 59 - HD3 LYS 13 far 0 100 0 - 8.1-10.7 HB2 SER 59 - HD2 LYS 13 far 0 100 0 - 8.3-11.9 HB2 SER 59 - HD2 LYS 33 far 0 53 0 - 8.8-13.5 HA GLU 23 - HD2 LYS 20 far 0 51 0 - 9.0-10.4 HB2 SER 59 - HD3 LYS 33 far 0 53 0 - 9.1-13.3 HA GLU 98 - HD2 LYS 24 far 0 69 0 - 9.1-14.5 HA GLU 23 - HD3 LYS 20 far 0 45 0 - 9.2-10.7 HA GLU 98 - HD3 LYS 24 far 0 69 0 - 9.5-14.4 Violated in 1 structures by 0.01 A. Peak 552 from cnoeabs.peaks (1.92, 1.70, 28.93 ppm; 2.88 A): 16 out of 66 assignments used, quality = 1.00: * HB2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.1-4.1 3.6=52, 3.0/488=17...(86) HB3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.4-4.2 3.6=52, 3.0/488=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.2-3.9 3.6=52, 3.0/488=18...(86) HB3 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.1-4.2 3.6=52, 3.0/488=18...(86) HB2 LYS 33 + HD2 LYS 33 OK 53 54 100 98 2.3-2.7 3.5=54, 1430/1.8=13...(51) HB2 LYS 33 + HD3 LYS 33 OK 53 54 100 98 2.6-3.7 3.5=54, 1430/1.8=13...(51) HB3 LYS 33 + HD2 LYS 33 OK 53 54 100 98 3.5-3.8 3.5=54, 1441/1.8=13...(52) HB3 LYS 33 + HD3 LYS 33 OK 53 54 100 98 3.6-4.2 3.5=54, 1441/1.8=13...(52) HB3 LEU 14 + HD3 LYS 13 OK 52 97 85 63 3.1-5.8 520/3.0=8, 3.1/10406=7...(21) HB3 LEU 14 + HD2 LYS 13 OK 51 97 85 63 2.9-6.1 520/3.0=8, 3.1/10406=7...(21) HB3 LYS 47 + HD3 LYS 47 OK 46 47 100 98 2.1-3.8 3.9=39, 2153/1.8=12...(113) HB3 LYS 47 + HD2 LYS 47 OK 45 45 100 98 2.5-3.9 3.9=39, 2153/1.8=12...(113) HB3 LYS 20 + HD2 LYS 20 OK 43 45 100 96 3.3-4.1 3.5=54, 871/5.9=11...(68) HB3 LYS 20 + HD3 LYS 20 OK 38 39 100 96 2.7-4.1 3.5=54, 2152/1.8=11...(68) HB2 LYS 20 + HD2 LYS 20 OK 35 37 100 95 2.4-3.6 3.5=54, 1.8/2153=9...(62) HB2 LYS 20 + HD3 LYS 20 OK 31 32 100 95 2.5-3.7 3.5=54, 1.8/2153=9...(62) HB2 ARG 19 - HD2 LYS 20 poor 16 40 40 - 3.3-7.1 HB3 ARG 19 - HD2 LYS 20 poor 10 49 20 - 3.8-7.2 HB2 GLU 43 - HD2 LYS 47 far 7 45 15 - 4.0-7.7 HB2 GLU 17 - HD2 LYS 20 far 6 39 15 - 3.4-6.6 HB2 GLU 43 - HD3 LYS 47 far 5 46 10 - 3.5-7.5 HB3 LYS 20 - HD3 LYS 24 far 5 92 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 20 far 2 34 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 0 50 0 - 4.5-7.7 HB2 GLU 17 - HD3 LYS 13 far 0 85 0 - 4.6-10.5 HB2 ARG 19 - HD3 LYS 20 far 0 35 0 - 4.6-7.0 HB2 GLU 17 - HD2 LYS 13 far 0 85 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 41 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 41 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 91 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 43 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 98 0 - 5.2-11.0 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 99 0 - 5.6-12.0 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.0-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 80 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 79 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.2-9.9 HG3 GLU 88 - HB3 ARG 91 far 0 36 0 - 6.4-8.2 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-9.1 HB2 ARG 19 - HD2 LYS 12 far 0 80 0 - 6.7-10.2 HB3 ARG 19 - HD2 LYS 12 far 0 92 0 - 6.7-10.6 HB ILE 8 - HD2 LYS 33 far 0 44 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 44 0 - 7.1-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 91 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 80 0 - 7.4-11.7 HB3 ARG 19 - HD3 LYS 12 far 0 92 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.7-9.5 HB3 LEU 14 - HD3 LYS 12 far 0 91 0 - 8.1-9.7 HB3 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 82 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 78 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 82 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 38 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 78 0 - 8.8-13.7 HB3 LEU 14 - HD3 LYS 20 far 0 42 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 48 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.5-15.0 HB3 ARG 19 - HD3 LYS 24 far 0 96 0 - 9.5-13.9 HB2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.6-14.5 HB2 ARG 19 - HD2 LYS 13 far 0 87 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 95 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 553 from cnoeabs.peaks (1.91, 1.70, 28.93 ppm; 2.88 A): 16 out of 66 assignments used, quality = 1.00: HB2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.1-4.1 3.6=52, 3.0/488=17...(86) * HB3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.4-4.2 3.6=52, 3.0/488=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.2-3.9 3.6=52, 3.0/488=18...(86) HB3 LYS 13 + HD2 LYS 13 OK 98 100 100 98 2.1-4.2 3.6=52, 3.0/488=18...(86) HB3 LYS 33 + HD2 LYS 33 OK 53 54 100 98 3.5-3.8 3.5=54, 1441/1.8=13...(52) HB3 LYS 33 + HD3 LYS 33 OK 53 54 100 98 3.6-4.2 3.5=54, 1441/1.8=13...(52) HB2 LYS 33 + HD2 LYS 33 OK 53 54 100 98 2.3-2.7 3.5=54, 1442/1.8=13...(51) HB2 LYS 33 + HD3 LYS 33 OK 53 54 100 98 2.6-3.7 3.5=54, 1442/1.8=13...(51) HB3 LEU 14 + HD3 LYS 13 OK 52 98 85 63 3.1-5.8 520/3.0=8, 3.1/10406=7...(21) HB3 LEU 14 + HD2 LYS 13 OK 52 98 85 63 2.9-6.1 520/3.0=8, 3.1/10406=7...(21) HB3 LYS 47 + HD3 LYS 47 OK 46 46 100 98 2.1-3.8 3.9=39, 2153/1.8=12...(113) HB3 LYS 47 + HD2 LYS 47 OK 44 45 100 98 2.5-3.9 3.9=39, 2153/1.8=12...(113) HB3 LYS 20 + HD2 LYS 20 OK 42 44 100 96 3.3-4.1 3.5=54, 2152/1.8=10...(68) HB2 LYS 20 + HD2 LYS 20 OK 37 39 100 95 2.4-3.6 3.5=54, 1.8/2153=9...(62) HB3 LYS 20 + HD3 LYS 20 OK 36 38 100 96 2.7-4.1 3.5=54, 2152/1.8=11...(68) HB2 LYS 20 + HD3 LYS 20 OK 32 34 100 95 2.5-3.7 3.5=54, 1.8/2153=9...(62) HB2 ARG 19 - HD2 LYS 20 poor 17 42 40 - 3.3-7.1 HB3 ARG 19 - HD2 LYS 20 poor 9 47 20 - 3.8-7.2 HB2 GLU 43 - HD2 LYS 47 far 7 45 15 - 4.0-7.7 HB2 GLU 17 - HD2 LYS 20 far 6 37 15 - 3.4-6.6 HB2 GLU 43 - HD3 LYS 47 far 5 47 10 - 3.5-7.5 HB3 LYS 20 - HD3 LYS 24 far 4 90 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 20 far 2 32 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 0 49 0 - 4.5-7.7 HB2 GLU 17 - HD3 LYS 13 far 0 82 0 - 4.6-10.5 HB2 ARG 19 - HD3 LYS 20 far 0 36 0 - 4.6-7.0 HB2 GLU 17 - HD2 LYS 13 far 0 82 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 39 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 39 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 89 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 41 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 98 0 - 5.2-11.0 HB3 LYS 13 - HD3 LYS 12 far 0 96 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 98 0 - 5.6-12.0 HB3 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.0-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 83 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 82 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.2-9.9 HG3 GLU 88 - HB3 ARG 91 far 0 34 0 - 6.4-8.2 HB2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.6-9.1 HB2 ARG 19 - HD2 LYS 12 far 0 82 0 - 6.7-10.2 HB3 ARG 19 - HD2 LYS 12 far 0 90 0 - 6.7-10.6 HB ILE 8 - HD2 LYS 33 far 0 45 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 45 0 - 7.1-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 92 0 - 7.2-8.7 HB2 ARG 19 - HD3 LYS 12 far 0 82 0 - 7.4-11.7 HB3 ARG 19 - HD3 LYS 12 far 0 90 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 46 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 53 0 - 7.7-9.5 HB3 LEU 14 - HD3 LYS 12 far 0 92 0 - 8.1-9.7 HB3 LYS 13 - HD3 LYS 20 far 0 46 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 53 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 79 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 75 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 79 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 36 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 75 0 - 8.8-13.7 HB3 LEU 14 - HD3 LYS 20 far 0 43 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 49 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 96 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 78 0 - 9.5-15.0 HB3 ARG 19 - HD3 LYS 24 far 0 95 0 - 9.5-13.9 HB2 LYS 20 - HD2 LYS 12 far 0 78 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 96 0 - 9.6-14.5 HB2 ARG 19 - HD2 LYS 13 far 0 89 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 94 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 554 from cnoeabs.peaks (1.43, 1.70, 28.93 ppm; 3.00 A): 7 out of 57 assignments used, quality = 1.00: * HG2 LYS 13 + HD3 LYS 13 OK 100 100 100 100 2.3-2.7 3.0=100 HG2 LYS 13 + HD2 LYS 13 OK 100 100 100 100 2.3-2.7 3.0=100 HG2 LYS 12 + HD3 LYS 12 OK 90 90 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HD2 LYS 12 OK 90 90 100 100 2.3-3.0 3.0=100 HG3 ARG 91 + HB3 ARG 91 OK 40 40 100 100 2.4-3.0 2.8=100 HG2 LYS 20 + HD2 LYS 20 OK 37 37 100 100 2.4-2.6 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 32 32 100 100 2.3-3.0 2.8=100 HG2 LYS 12 - HD3 LYS 13 far 0 96 0 - 5.3-8.4 HG2 LYS 12 - HD2 LYS 13 far 0 96 0 - 6.0-8.5 HG2 LYS 13 - HD2 LYS 12 far 0 96 0 - 6.1-7.5 HG2 LYS 13 - HD3 LYS 12 far 0 96 0 - 6.4-8.2 HG2 LYS 20 - HD3 LYS 24 far 0 80 0 - 6.6-11.6 QB ALA 22 - HD2 LYS 24 far 0 98 0 - 6.7-8.9 QB ALA 22 - HD3 LYS 24 far 0 99 0 - 6.7-8.6 QB ALA 22 - HD2 LYS 20 far 0 52 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 52 0 - 7.2-11.2 HB2 LEU 27 - HD3 LYS 24 far 0 80 0 - 7.5-10.8 HG2 LYS 20 - HD2 LYS 24 far 0 79 0 - 7.6-10.9 HG2 LYS 12 - HD2 LYS 33 far 0 48 0 - 7.7-12.5 HG LEU 29 - HD3 LYS 20 far 0 46 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 46 0 - 7.8-8.7 HG12 ILE 7 - HD2 LYS 13 far 0 100 0 - 7.9-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 79 0 - 8.0-11.5 HG LEU 38 - HD3 LYS 33 far 0 36 0 - 8.0-10.3 HG12 ILE 7 - HD3 LYS 13 far 0 100 0 - 8.1-11.4 HD2 LYS 40 - HD3 LYS 47 far 0 27 0 - 8.1-11.9 HG13 ILE 76 - HD3 LYS 47 far 0 48 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 46 0 - 8.4-11.3 HG2 LYS 12 - HD3 LYS 33 far 0 48 0 - 8.4-13.3 HB2 LEU 38 - HD3 LYS 33 far 0 40 0 - 8.5-10.5 HD2 LYS 40 - HD2 LYS 47 far 0 26 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 42 0 - 8.7-12.8 HG LEU 38 - HD2 LYS 33 far 0 36 0 - 8.7-11.3 HD3 LYS 40 - HD3 LYS 47 far 0 26 0 - 8.8-13.2 HG12 ILE 7 - HD3 LYS 33 far 0 53 0 - 8.9-10.3 HG2 LYS 12 - HD2 LYS 20 far 0 47 0 - 9.0-12.7 HB2 LEU 38 - HD2 LYS 33 far 0 40 0 - 9.0-11.8 HG12 ILE 7 - HD2 LYS 33 far 0 53 0 - 9.1-11.1 HG2 LYS 20 - HD2 LYS 12 far 0 75 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 53 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 95 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 34 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 75 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 50 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 25 0 - 9.5-13.1 HG LEU 29 - HD3 LYS 33 far 0 53 0 - 9.5-12.4 HG2 LYS 20 - HD3 LYS 13 far 0 82 0 - 9.5-13.3 HG3 ARG 91 - HD2 LYS 13 far 0 89 0 - 9.5-14.4 HG2 LYS 20 - HD2 LYS 13 far 0 82 0 - 9.5-12.9 HG2 LYS 12 - HD3 LYS 20 far 0 41 0 - 9.6-13.2 HG3 ARG 91 - HD3 LYS 13 far 0 90 0 - 9.6-14.4 HG3 LYS 39 - HD2 LYS 47 far 0 44 0 - 9.6-16.2 HD3 LYS 40 - HD3 LYS 33 far 0 30 0 - 9.6-13.1 HG LEU 29 - HD2 LYS 12 far 0 95 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 36 0 - 9.8-13.5 HG LEU 29 - HD2 LYS 33 far 0 53 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 555 from cnoeabs.peaks (1.50, 1.70, 28.93 ppm; 2.51 A): 11 out of 40 assignments used, quality = 1.00: HG3 LYS 13 + HD2 LYS 13 OK 92 100 100 92 2.4-3.0 3.0=62, 486/488=12...(39) * HG3 LYS 13 + HD3 LYS 13 OK 92 100 100 92 2.4-3.0 3.0=62, 486/488=11...(39) HG3 LYS 24 + HD3 LYS 24 OK 90 97 100 93 2.6-3.0 3.0=62, 1096/4.9=12...(41) HG3 LYS 24 + HD2 LYS 24 OK 89 96 100 93 2.2-3.0 3.0=62, 1096/4.9=12...(41) HB2 ARG 91 + HB3 ARG 91 OK 48 48 100 100 1.8-1.8 1.8=100 HG3 LYS 33 + HD3 LYS 33 OK 48 53 100 91 2.2-2.6 3.0=61, 1495/3.0=12...(38) HG3 LYS 33 + HD2 LYS 33 OK 48 53 100 91 2.7-3.0 3.0=61, 1495/3.0=12...(38) HG2 LYS 47 + HD3 LYS 47 OK 45 48 100 94 2.3-3.0 3.0=60, 1.8/2175=11...(60) HG2 LYS 47 + HD2 LYS 47 OK 43 46 100 94 2.3-3.0 3.0=60, 1.8/2175=11...(60) HB2 LEU 14 + HD2 LYS 13 OK 34 85 85 47 2.7-6.8 245/3.0=6, 3.1/10406=5...(24) HB2 LEU 14 + HD3 LYS 13 OK 34 85 85 47 2.9-6.2 245/3.0=6, 3.1/10406=5...(24) HB3 LEU 103 - HB3 ARG 91 far 0 37 0 - 6.8-18.2 HG3 LYS 13 - HD3 LYS 12 far 0 96 0 - 7.1-9.6 HG3 LYS 13 - HD2 LYS 12 far 0 96 0 - 7.2-9.2 HG3 LYS 24 - HD3 LYS 20 far 0 44 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 50 0 - 7.3-9.3 HG LEU 6 - HD3 LYS 33 far 0 37 0 - 7.5-11.9 HG LEU 38 - HD3 LYS 33 far 0 26 0 - 8.0-10.3 HD2 LYS 40 - HD3 LYS 47 far 0 28 0 - 8.1-11.9 HG3 LYS 24 - HD2 LYS 20 far 0 50 0 - 8.2-11.1 HB ILE 7 - HD3 LYS 33 far 0 40 0 - 8.2-9.8 HB2 LEU 14 - HD2 LYS 12 far 0 78 0 - 8.4-10.2 HB ILE 7 - HD2 LYS 33 far 0 40 0 - 8.7-11.2 HD2 LYS 40 - HD2 LYS 47 far 0 27 0 - 8.7-11.7 HG LEU 38 - HD2 LYS 33 far 0 26 0 - 8.7-11.3 HG LEU 6 - HD2 LYS 33 far 0 37 0 - 8.8-13.4 HD3 LYS 40 - HD3 LYS 47 far 0 29 0 - 8.8-13.2 HB2 LEU 14 - HD3 LYS 20 far 0 34 0 - 9.0-11.5 HB2 LEU 14 - HD2 LYS 20 far 0 39 0 - 9.1-11.1 HG3 ARG 30 - HD3 LYS 33 far 0 32 0 - 9.1-11.4 HB2 LEU 14 - HD3 LYS 12 far 0 78 0 - 9.1-11.3 HB ILE 7 - HD2 LYS 12 far 0 78 0 - 9.4-10.7 HB2 LEU 14 - HB3 ARG 91 far 0 38 0 - 9.4-12.0 HD3 LYS 40 - HD2 LYS 47 far 0 28 0 - 9.5-13.1 HD3 LYS 40 - HD3 LYS 33 far 0 33 0 - 9.6-13.1 HG3 LYS 33 - HD2 LYS 12 far 0 95 0 - 9.7-13.2 HG3 LYS 66 - HD3 LYS 33 far 0 53 0 - 9.8-12.6 HB ILE 7 - HD2 LYS 20 far 0 39 0 - 9.9-11.5 HG3 LYS 13 - HD2 LYS 20 far 0 53 0 - 9.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 95 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 556 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 98 98 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HB3 ARG 91 + HB3 ARG 91 OK 44 44 - 100 HD2 LYS 20 + HD2 LYS 20 OK 41 41 - 100 HD3 LYS 33 + HD3 LYS 33 OK 41 41 - 100 HD2 LYS 33 + HD2 LYS 33 OK 41 41 - 100 HD3 LYS 47 + HD3 LYS 47 OK 41 41 - 100 HD2 LYS 47 + HD2 LYS 47 OK 39 39 - 100 HD3 LYS 20 + HD3 LYS 20 OK 33 33 - 100 Reference assignment not found: HD2 LYS 13 - HD3 LYS 13 Peak 557 from cnoeabs.peaks (1.70, 1.70, 28.93 ppm; diagonal): 13 out of 13 assignments used, quality = 1.00: * HD3 LYS 13 + HD3 LYS 13 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 99 99 - 100 HD2 LYS 24 + HD2 LYS 24 OK 98 98 - 100 HD3 LYS 12 + HD3 LYS 12 OK 96 96 - 100 HD2 LYS 12 + HD2 LYS 12 OK 96 96 - 100 HD3 LYS 33 + HD3 LYS 33 OK 43 43 - 100 HD2 LYS 33 + HD2 LYS 33 OK 43 43 - 100 HB3 ARG 91 + HB3 ARG 91 OK 42 42 - 100 HD3 LYS 47 + HD3 LYS 47 OK 39 39 - 100 HD2 LYS 20 + HD2 LYS 20 OK 39 39 - 100 HD2 LYS 47 + HD2 LYS 47 OK 37 37 - 100 HD3 LYS 20 + HD3 LYS 20 OK 31 31 - 100 Peak 558 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 16 out of 65 assignments used, quality = 1.00: * HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-2.9 2.9=94, 474/3.0=11...(68) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 474/3.0=11...(68) HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 565/3.0=11...(68) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 565/3.0=11...(68) HE2 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD2 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(48) HE2 LYS 47 + HD3 LYS 47 OK 44 44 100 99 2.2-2.7 3.0=91, 2217/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 44 44 100 99 2.9-3.0 3.0=91, 2217/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 42 43 100 99 2.9-3.0 3.0=91, 2217/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 42 43 100 99 2.3-2.8 3.0=91, 2217/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 24 70 100 34 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 22 69 95 34 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE3 LYS 90 - HD2 LYS 20 far 0 40 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 87 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 87 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 35 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 38 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 42 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 44 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 75 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 75 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 38 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 73 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 53 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 38 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 53 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 33 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 33 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 34 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 46 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 34 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 46 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 73 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 68 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 36 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 85 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 68 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 53 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 46 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 53 0 - 9.2-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 53 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 52 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 51 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 53 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 92 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 559 from cnoeabs.peaks (2.96, 1.70, 28.93 ppm; 2.88 A): 16 out of 70 assignments used, quality = 1.00: HE2 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-2.9 2.9=94, 474/3.0=11...(68) * HE3 LYS 13 + HD3 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 565/3.0=11...(68) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 565/3.0=11...(68) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 474/3.0=11...(68) HE2 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD3 LYS 24 OK 98 99 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 24 + HD2 LYS 24 OK 97 99 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD2 LYS 24 OK 97 99 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 12 + HD2 LYS 12 OK 94 95 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 94 95 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(48) HE2 LYS 47 + HD3 LYS 47 OK 42 43 100 99 2.2-2.7 3.0=91, 2217/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 42 43 100 99 2.9-3.0 3.0=91, 2217/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 41 41 100 99 2.9-3.0 3.0=91, 2217/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 41 41 100 99 2.3-2.8 3.0=91, 2217/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 21 65 100 33 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 20 65 95 33 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE2 LYS 94 - HB3 ARG 91 poor 12 25 50 - 2.8-9.1 HE2 LYS 94 - HD3 LYS 24 far 3 59 5 - 3.7-12.9 HE2 LYS 94 - HD2 LYS 24 far 3 59 5 - 4.0-12.2 HE3 LYS 90 - HD2 LYS 20 far 0 42 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 90 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 89 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 36 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 40 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 45 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 71 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 71 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 39 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 70 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 92 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 77 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 91 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 53 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 36 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 53 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 59 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 35 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 70 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 35 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 32 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 46 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 32 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 45 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 77 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 59 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 35 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 100 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 96 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 87 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 96 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 52 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 46 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 53 0 - 9.2-12.0 HE2 LYS 94 - HD2 LYS 20 far 0 26 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 22 0 - 9.4-14.0 HE3 LYS 24 - HD2 LYS 20 far 0 52 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 52 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 87 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 50 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 53 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 94 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 46 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 560 from cnoeabs.peaks (7.55, 1.70, 28.93 ppm; 4.46 A): 4 out of 15 assignments used, quality = 1.00: H LEU 14 + HD2 LYS 13 OK 99 100 100 99 2.1-4.4 6191/3.0=59, 6192/3.0=42...(27) * H LEU 14 + HD3 LYS 13 OK 99 100 100 99 2.2-4.2 6191/3.0=59, 6192/3.0=42...(27) H LYS 24 + HD3 LYS 24 OK 88 89 100 100 4.2-5.7 6385/3.0=65, ~1096=38...(26) H LYS 24 + HD2 LYS 24 OK 88 88 100 100 4.1-5.7 6385/3.0=65, ~1096=38...(26) H LEU 14 - HD2 LYS 12 far 10 96 10 - 5.8-7.6 H GLU 88 - HB3 ARG 91 far 6 43 15 - 4.3-6.2 H LEU 14 - HD3 LYS 12 far 0 96 0 - 6.4-8.5 H LEU 38 - HD3 LYS 33 far 0 44 0 - 7.0-8.4 H LYS 24 - HD3 LYS 20 far 0 37 0 - 7.4-8.8 H LYS 24 - HD2 LYS 20 far 0 43 0 - 7.5-8.7 H LEU 38 - HD2 LYS 33 far 0 44 0 - 7.6-9.5 H GLU 88 - HD3 LYS 13 far 0 93 0 - 7.6-12.1 H GLU 88 - HD2 LYS 13 far 0 93 0 - 7.7-12.6 H LEU 14 - HD2 LYS 20 far 0 53 0 - 8.2-10.2 H LEU 14 - HD3 LYS 20 far 0 46 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 561 from cnoeabs.peaks (8.07, 2.96, 41.80 ppm; 6.50 A): 10 out of 19 assignments used, quality = 1.00: * H LYS 13 + HE2 LYS 13 OK 100 100 100 100 4.8-6.0 6177/3.8=98, 7.3=71...(26) H LYS 13 + HE3 LYS 13 OK 100 100 100 100 4.6-5.2 6177/3.8=98, 7.3=71...(25) H LYS 13 + HE3 LYS 12 OK 100 100 100 100 6.0-7.1 6168/4.0=84...(12) H ILE 15 + HE2 LYS 13 OK 84 100 100 84 6.9-7.5 6208/6.0=38...(9) H ILE 15 + HE3 LYS 13 OK 78 100 95 82 6.6-8.2 6208/6.0=38...(9) H GLU 17 + HE3 LYS 90 OK 54 69 95 82 4.4-8.2 6257/11024=48...(12) H LYS 90 + HE3 LYS 90 OK 51 51 100 100 4.2-5.6 7.0=81, ~3917=73...(24) H GLU 17 + HE2 LYS 13 OK 50 98 85 60 6.8-8.9 10427/6.0=35...(6) H GLU 17 + HE3 LYS 13 OK 40 98 75 54 6.2-8.7 10427/6.0=35...(6) H ILE 15 + HE3 LYS 12 OK 28 100 30 95 6.7-8.8 5.0/10393=76...(4) H GLU 75 - HE3 LYS 73 far 14 93 15 - 7.0-8.7 H GLU 75 - HE2 LYS 73 far 10 98 10 - 7.2-9.2 H LYS 39 - HE2 LYS 73 far 10 97 10 - 6.4-11.9 H LYS 39 - HE3 LYS 73 far 5 92 5 - 7.3-11.3 H ILE 15 - HE3 LYS 90 lone 3 73 40 9 6.7-11.5 6266/6118=2, 6209/1139=2 H LYS 13 - HE3 LYS 90 far 0 73 0 - 8.2-13.3 H LYS 90 - HE3 LYS 13 far 0 79 0 - 8.3-12.7 H LYS 90 - HE2 LYS 13 far 0 79 0 - 8.4-11.2 H GLU 17 - HE3 LYS 12 far 0 97 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 562 from cnoeabs.peaks (4.15, 2.96, 41.80 ppm; 4.86 A): 7 out of 17 assignments used, quality = 1.00: HA LYS 13 + HE3 LYS 13 OK 100 100 100 100 4.4-5.4 486/3.8=78, 518/3.8=71...(55) * HA LYS 13 + HE2 LYS 13 OK 95 100 95 100 4.7-6.4 486/3.8=78, 518/3.8=71...(56) HA LYS 73 + HE2 LYS 73 OK 91 91 100 100 4.4-5.5 3232/4.0=46, 3231/4.0=45...(67) HA LYS 47 + HE2 LYS 47 OK 90 90 100 100 4.2-5.2 2127/3.8=52, 2126/3.8=50...(83) HA LYS 47 + HE3 LYS 47 OK 90 90 100 100 4.2-5.5 2127/3.8=52, 2126/3.8=50...(83) HA LYS 73 + HE3 LYS 73 OK 85 85 100 100 4.4-5.4 3232/4.0=46, 3231/4.0=45...(66) HB3 SER 85 + HE2 LYS 13 OK 20 65 75 41 4.3-7.8 ~10956=11, 9875/2.9=9...(7) HB3 SER 85 - HE3 LYS 13 poor 20 65 30 - 5.8-9.4 HA LYS 13 - HE3 LYS 12 far 10 100 10 - 5.9-8.7 HB3 SER 85 - HE3 LYS 90 far 2 41 5 - 6.0-10.2 HA LYS 13 - HE3 LYS 90 far 0 73 0 - 6.6-11.3 HA GLN 72 - HE3 LYS 73 far 0 93 0 - 7.4-8.6 HA GLN 72 - HE2 LYS 73 far 0 98 0 - 7.6-9.2 HA GLU 23 - HE2 LYS 24 far 0 99 0 - 8.3-9.4 HA GLU 23 - HE3 LYS 24 far 0 99 0 - 8.4-9.8 HA GLU 98 - HE3 LYS 24 far 0 71 0 - 9.3-14.0 HB2 SER 59 - HE2 LYS 13 far 0 100 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 563 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.45 A): 7 out of 39 assignments used, quality = 1.00: * HB2 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.3-4.1 5.0=33, 3.0/565=16...(97) HB3 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.9-4.7 5.0=33, 3.0/565=16...(95) HB2 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.0-3.4 5.0=33, 3.0/565=16...(93) HB3 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.7-3.4 5.0=33, 3.0/565=16...(93) HB3 LYS 47 + HE2 LYS 47 OK 91 92 100 99 2.0-3.5 4.9=36, 2154/1.8=16...(118) HB3 LYS 47 + HE3 LYS 47 OK 91 92 100 99 2.1-4.4 4.9=36, 2154/1.8=16...(118) HB2 GLU 17 + HE3 LYS 90 OK 36 56 85 76 2.1-6.1 12027/3.8=23...(21) HB2 LYS 94 - HE3 LYS 24 far 10 100 10 - 4.0-12.3 HB2 GLU 43 - HE2 LYS 47 far 5 91 5 - 4.7-8.5 HB3 LEU 14 - HE2 LYS 13 far 0 97 0 - 5.1-6.2 HB2 LYS 94 - HE2 LYS 24 far 0 100 0 - 5.3-12.1 HB3 LEU 14 - HE3 LYS 13 far 0 97 0 - 5.4-7.2 HB2 GLU 43 - HE3 LYS 47 far 0 91 0 - 5.4-9.4 HB3 LYS 20 - HE2 LYS 24 far 0 94 0 - 5.5-9.2 HB2 LYS 13 - HE3 LYS 90 far 0 73 0 - 5.7-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 85 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.2-8.6 HB3 LEU 14 - HE3 LYS 90 far 0 68 0 - 6.2-11.2 HB2 LYS 20 - HE2 LYS 24 far 0 82 0 - 6.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 64 0 - 7.0-10.5 HB3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.2-9.3 HB3 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 72 0 - 7.4-11.8 HB2 LYS 20 - HE3 LYS 90 far 0 53 0 - 7.9-10.8 HB2 LYS 20 - HE3 LYS 24 far 0 82 0 - 7.9-9.9 HG3 GLU 88 - HE3 LYS 90 far 0 53 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 82 0 - 8.2-11.9 HB2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.3-10.6 HB2 ARG 19 - HE3 LYS 90 far 0 57 0 - 8.3-11.7 HB2 ARG 19 - HE3 LYS 12 far 0 86 0 - 8.6-12.0 HB2 LYS 33 - HE3 LYS 12 far 0 100 0 - 8.6-14.1 HB3 LEU 14 - HE3 LYS 12 far 0 96 0 - 8.9-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 97 0 - 8.9-13.2 HG LEU 42 - HE2 LYS 73 far 0 88 0 - 9.1-14.2 HB3 ARG 19 - HE3 LYS 90 far 0 68 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 82 0 - 9.3-12.9 HB2 GLU 17 - HE2 LYS 24 far 0 85 0 - 9.8-14.6 HG LEU 42 - HE3 LYS 73 far 0 82 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 564 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.45 A): 7 out of 39 assignments used, quality = 1.00: HB2 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.3-4.1 5.0=33, 3.0/565=16...(97) * HB3 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.9-4.7 5.0=33, 3.0/565=16...(95) HB3 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.7-3.4 5.0=33, 3.0/565=16...(93) HB2 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.0-3.4 5.0=33, 3.0/565=16...(93) HB3 LYS 47 + HE2 LYS 47 OK 90 91 100 99 2.0-3.5 4.9=36, 2155/1.8=16...(118) HB3 LYS 47 + HE3 LYS 47 OK 90 91 100 99 2.1-4.4 4.9=36, 2155/1.8=16...(118) HB2 GLU 17 + HE3 LYS 90 OK 34 53 85 75 2.1-6.1 12027/3.8=22...(21) HB2 LYS 94 - HE3 LYS 24 far 10 99 10 - 4.0-12.3 HB2 GLU 43 - HE2 LYS 47 far 5 92 5 - 4.7-8.5 HB3 LEU 14 - HE2 LYS 13 far 0 98 0 - 5.1-6.2 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 5.3-12.1 HB3 LEU 14 - HE3 LYS 13 far 0 98 0 - 5.4-7.2 HB2 GLU 43 - HE3 LYS 47 far 0 92 0 - 5.4-9.4 HB3 LYS 20 - HE2 LYS 24 far 0 92 0 - 5.5-9.2 HB2 LYS 13 - HE3 LYS 90 far 0 73 0 - 5.7-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 82 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 92 0 - 6.2-8.6 HB3 LEU 14 - HE3 LYS 90 far 0 69 0 - 6.2-11.2 HB2 LYS 20 - HE2 LYS 24 far 0 85 0 - 6.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 62 0 - 7.0-10.5 HB3 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.2-9.3 HB3 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.4-11.8 HB2 LYS 20 - HE3 LYS 90 far 0 56 0 - 7.9-10.8 HB2 LYS 20 - HE3 LYS 24 far 0 85 0 - 7.9-9.9 HG3 GLU 88 - HE3 LYS 90 far 0 51 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 79 0 - 8.2-11.9 HB2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.3-10.6 HB2 ARG 19 - HE3 LYS 90 far 0 60 0 - 8.3-11.7 HB2 ARG 19 - HE3 LYS 12 far 0 88 0 - 8.6-12.0 HB2 LYS 33 - HE3 LYS 12 far 0 100 0 - 8.6-14.1 HB3 LEU 14 - HE3 LYS 12 far 0 97 0 - 8.9-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 95 0 - 8.9-13.2 HG LEU 42 - HE2 LYS 73 far 0 90 0 - 9.1-14.2 HB3 ARG 19 - HE3 LYS 90 far 0 67 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 79 0 - 9.3-12.9 HB2 GLU 17 - HE2 LYS 24 far 0 82 0 - 9.8-14.6 HG LEU 42 - HE3 LYS 73 far 0 84 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 565 from cnoeabs.peaks (1.43, 2.96, 41.80 ppm; 3.63 A): 4 out of 39 assignments used, quality = 1.00: * HG2 LYS 13 + HE2 LYS 13 OK 100 100 100 100 3.4-4.2 3.8=86, 518/6.0=21...(89) HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.4-4.0 3.8=86, 518/6.0=21...(90) HG2 LYS 12 + HE3 LYS 12 OK 95 95 100 100 2.4-4.2 4.0=77, ~464=48...(54) HG3 ARG 91 + HE3 LYS 90 OK 20 60 55 62 3.1-6.8 ~4039=13, 10285/3.8=13...(16) HG3 LYS 39 - HE2 LYS 73 far 5 95 5 - 4.4-11.2 HG3 LYS 39 - HE3 LYS 73 far 0 90 0 - 5.3-11.0 HG2 LYS 20 - HE3 LYS 90 far 0 53 0 - 5.6-10.2 HG2 LYS 12 - HE3 LYS 13 far 0 96 0 - 6.3-9.5 QB ALA 71 - HE2 LYS 73 far 0 88 0 - 6.6-9.3 HG2 LYS 12 - HE2 LYS 13 far 0 96 0 - 6.7-10.1 HB2 LEU 38 - HE2 LYS 73 far 0 81 0 - 7.1-13.1 HG2 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.3-12.4 HG2 LYS 20 - HE2 LYS 24 far 0 82 0 - 7.4-11.4 HG2 LYS 20 - HE3 LYS 24 far 0 82 0 - 7.4-11.2 QB ALA 71 - HE3 LYS 73 far 0 82 0 - 7.4-8.6 QB ALA 22 - HE3 LYS 24 far 0 100 0 - 7.5-10.1 QB ALA 22 - HE2 LYS 24 far 0 100 0 - 7.5-9.8 HG LEU 38 - HE2 LYS 73 far 0 75 0 - 7.6-14.2 HG2 LYS 13 - HE3 LYS 12 far 0 100 0 - 7.9-9.0 HD3 LYS 40 - HE2 LYS 47 far 0 58 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 58 0 - 8.1-14.8 HB2 LEU 38 - HE3 LYS 73 far 0 75 0 - 8.4-12.3 QB ALA 22 - HE3 LYS 90 far 0 73 0 - 8.6-10.7 HG13 ILE 76 - HE3 LYS 47 far 0 92 0 - 8.7-11.8 HB2 LEU 27 - HE2 LYS 24 far 0 82 0 - 8.8-12.0 HG12 ILE 7 - HE3 LYS 90 far 0 72 0 - 9.0-12.9 HG LEU 38 - HE3 LYS 73 far 0 69 0 - 9.2-13.0 HG13 ILE 76 - HE2 LYS 47 far 0 92 0 - 9.2-11.8 HG13 ILE 52 - HE2 LYS 47 far 0 72 0 - 9.2-12.7 HB2 LEU 27 - HE3 LYS 24 far 0 82 0 - 9.4-12.1 HG LEU 29 - HE3 LYS 90 far 0 73 0 - 9.5-13.6 HG3 ARG 91 - HE2 LYS 13 far 0 90 0 - 9.6-13.0 HD2 LYS 40 - HE2 LYS 47 far 0 60 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 60 0 - 9.6-13.6 HG3 LYS 39 - HE2 LYS 47 far 0 90 0 - 9.7-15.9 HG3 ARG 91 - HE3 LYS 13 far 0 89 0 - 9.7-14.1 HG13 ILE 52 - HE3 LYS 47 far 0 72 0 - 9.9-13.5 HG13 ILE 76 - HE3 LYS 73 far 0 92 0 - 10.0-13.4 HG12 ILE 7 - HE2 LYS 13 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 566 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.07 A): 9 out of 29 assignments used, quality = 1.00: HG3 LYS 24 + HE2 LYS 24 OK 96 98 100 98 2.0-3.9 3.7=56, 1096/6.2=12...(95) HG3 LYS 24 + HE3 LYS 24 OK 96 98 100 98 2.2-3.9 3.7=56, 1096/6.2=12...(95) HG2 LYS 73 + HE2 LYS 73 OK 95 98 100 98 2.1-4.0 4.0=45, 3297/3.0=13...(93) * HG3 LYS 13 + HE2 LYS 13 OK 94 100 100 94 2.1-3.6 3.8=52, 486/6.0=13...(70) HG3 LYS 13 + HE3 LYS 13 OK 94 100 100 94 2.0-3.6 3.8=52, 486/6.0=13...(70) HG2 LYS 47 + HE2 LYS 47 OK 91 92 100 99 2.4-4.0 3.8=54, 1.8/2217=13...(102) HG2 LYS 47 + HE3 LYS 47 OK 91 92 100 98 2.3-3.8 3.8=54, 1.8/2217=13...(102) HG2 LYS 73 + HE3 LYS 73 OK 90 93 100 98 2.2-3.7 4.0=45, 3297/3.0=13...(98) HB2 LEU 14 + HE2 LYS 13 OK 23 85 50 53 4.4-6.0 3.8/6196=8, 245/3.8=7...(26) HB2 LEU 14 - HE3 LYS 13 far 0 85 0 - 4.7-7.1 HB2 LEU 14 - HE3 LYS 90 far 0 56 0 - 4.9-9.9 HB2 ARG 91 - HE3 LYS 90 far 0 70 0 - 5.4-8.6 HG LEU 38 - HE2 LYS 73 far 0 58 0 - 7.6-14.2 HG3 LYS 13 - HE3 LYS 90 far 0 73 0 - 7.9-12.9 HD3 LYS 40 - HE2 LYS 47 far 0 63 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 63 0 - 8.1-14.8 HG3 LYS 66 - HE3 LYS 73 far 0 93 0 - 8.1-13.3 HG3 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.6-10.0 HG3 LYS 33 - HE3 LYS 12 far 0 99 0 - 9.0-14.0 HG LEU 57 - HE3 LYS 90 far 0 73 0 - 9.1-10.7 HG LEU 38 - HE3 LYS 73 far 0 52 0 - 9.2-13.0 HG3 LYS 24 - HE3 LYS 90 far 0 70 0 - 9.2-13.2 HG2 LYS 66 - HE3 LYS 73 far 0 92 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 84 0 - 9.4-13.6 HD2 LYS 40 - HE2 LYS 47 far 0 62 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 62 0 - 9.6-13.6 HG LEU 2 - HE2 LYS 47 far 0 84 0 - 9.6-13.8 HG3 LYS 66 - HE2 LYS 73 far 0 98 0 - 9.7-14.7 HB ILE 7 - HE3 LYS 90 far 0 56 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 567 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 20 out of 75 assignments used, quality = 1.00: * HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/474=9...(53) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 74 83 100 90 2.2-2.7 3.0=69, 3.0/2176=7...(51) HD3 LYS 47 + HE3 LYS 47 OK 74 83 100 90 2.9-3.0 3.0=69, 3.0/2176=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 73 82 100 90 2.9-3.0 3.0=69, 3.0/2176=7...(51) HD2 LYS 47 + HE3 LYS 47 OK 73 82 100 90 2.3-2.8 3.0=69, 3.0/2176=7...(50) HD3 LYS 90 + HE3 LYS 90 OK 62 73 100 85 2.6-3.0 3.0=70, 2.9/4005=14...(14) HD2 LYS 73 + HE2 LYS 73 OK 59 67 100 88 2.7-3.0 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE2 LYS 73 OK 56 63 100 89 2.2-2.6 3.0=68, 3298/4.0=6...(50) HD2 LYS 73 + HE3 LYS 73 OK 55 62 100 89 2.3-2.9 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE3 LYS 73 OK 52 58 100 89 2.7-3.0 3.0=68, 3298/4.0=6...(50) HD2 LYS 90 + HE3 LYS 90 OK 29 36 100 80 2.2-3.0 3.0=70, 2.9/4005=14...(12) HG2 PRO 86 - HE2 LYS 13 lone 14 99 85 17 2.0-5.3 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 9 93 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 13 lone 9 99 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HG2 PRO 86 - HE3 LYS 90 far 4 71 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 98 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 87 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 78 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 73 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 73 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 64 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 84 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 99 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 93 0 - 6.3-8.6 HD2 LYS 90 - HE2 LYS 13 far 0 59 0 - 6.4-12.8 HD2 LYS 90 - HE3 LYS 13 far 0 59 0 - 6.5-12.8 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 84 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 86 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 86 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 93 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 7.4-15.0 HD3 LYS 20 - HE2 LYS 24 far 0 84 0 - 7.6-12.5 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 7.6-15.4 HD3 LYS 66 - HE2 LYS 73 far 0 98 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 73 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 79 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 51 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 88 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 72 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 67 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 79 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 84 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 100 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 84 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 88 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 88 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 87 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 73 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 94 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 67 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 88 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 84 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 568 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 20 out of 75 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) * HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/474=9...(53) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 72 80 100 90 2.2-2.7 3.0=69, 3.0/2176=7...(51) HD3 LYS 47 + HE3 LYS 47 OK 72 80 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 71 79 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE3 LYS 47 OK 71 79 100 90 2.3-2.8 3.0=69, 3.0/2177=7...(50) HD3 LYS 90 + HE3 LYS 90 OK 61 72 100 85 2.6-3.0 3.0=70, 2.9/4005=14...(14) HD2 LYS 73 + HE2 LYS 73 OK 56 63 100 88 2.7-3.0 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE2 LYS 73 OK 53 60 100 89 2.2-2.6 3.0=68, 3298/4.0=5...(50) HD2 LYS 73 + HE3 LYS 73 OK 51 58 100 89 2.3-2.9 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE3 LYS 73 OK 48 54 100 89 2.7-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 90 + HE3 LYS 90 OK 32 39 100 80 2.2-3.0 3.0=70, 2.9/4005=14...(12) HG2 PRO 86 - HE2 LYS 13 lone 14 99 85 17 2.0-5.3 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 9 94 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 13 lone 9 99 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HG2 PRO 86 - HE3 LYS 90 far 4 70 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 56 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 98 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 89 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 81 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 73 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 52 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 73 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 52 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 62 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 80 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 93 0 - 6.3-8.6 HD2 LYS 90 - HE2 LYS 13 far 0 63 0 - 6.4-12.8 HD2 LYS 90 - HE3 LYS 13 far 0 63 0 - 6.5-12.8 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 80 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 88 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 88 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 93 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD2 LYS 90 - HE2 LYS 24 far 0 63 0 - 7.4-15.0 HD3 LYS 20 - HE2 LYS 24 far 0 80 0 - 7.6-12.5 HD2 LYS 90 - HE3 LYS 24 far 0 63 0 - 7.6-15.4 HD3 LYS 66 - HE2 LYS 73 far 0 98 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 72 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 82 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 53 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 85 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 71 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 63 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 82 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 99 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 80 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 99 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 80 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 85 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 85 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 84 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 72 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 92 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 63 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 85 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 81 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 569 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 99 99 - 100 HE2 LYS 73 + HE2 LYS 73 OK 96 96 - 100 HE3 LYS 73 + HE3 LYS 73 OK 88 88 - 100 HE2 LYS 47 + HE2 LYS 47 OK 88 88 - 100 HE3 LYS 47 + HE3 LYS 47 OK 88 88 - 100 HE3 LYS 90 + HE3 LYS 90 OK 57 57 - 100 Peak 570 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 99 99 - 100 HE2 LYS 73 + HE2 LYS 73 OK 97 97 - 100 HE3 LYS 73 + HE3 LYS 73 OK 89 89 - 100 HE2 LYS 47 + HE2 LYS 47 OK 86 86 - 100 HE3 LYS 47 + HE3 LYS 47 OK 86 86 - 100 HE3 LYS 90 + HE3 LYS 90 OK 60 60 - 100 Reference assignment not found: HE3 LYS 13 - HE2 LYS 13 Peak 572 from cnoeabs.peaks (8.07, 2.96, 41.80 ppm; 6.50 A): 10 out of 19 assignments used, quality = 1.00: * H LYS 13 + HE3 LYS 13 OK 100 100 100 100 4.6-5.2 6177/3.8=98, 7.3=71...(25) H LYS 13 + HE2 LYS 13 OK 100 100 100 100 4.8-6.0 6177/3.8=98, 7.3=71...(26) H LYS 13 + HE3 LYS 12 OK 99 99 100 100 6.0-7.1 6168/4.0=84...(12) H ILE 15 + HE2 LYS 13 OK 84 100 100 84 6.9-7.5 6208/6.0=38...(9) H ILE 15 + HE3 LYS 13 OK 78 100 95 82 6.6-8.2 6208/6.0=38...(9) H GLU 17 + HE3 LYS 90 OK 58 74 95 83 4.4-8.2 6257/11024=48...(12) H LYS 90 + HE3 LYS 90 OK 55 55 100 100 4.2-5.6 7.0=81, ~3917=73...(24) H GLU 17 + HE2 LYS 13 OK 50 98 85 60 6.8-8.9 10427/6.0=35...(6) H GLU 17 + HE3 LYS 13 OK 40 98 75 54 6.2-8.7 10427/6.0=35...(6) H ILE 15 + HE3 LYS 12 OK 28 99 30 95 6.7-8.8 5.0/10393=75...(4) H GLU 75 - HE3 LYS 73 far 14 96 15 - 7.0-8.7 H GLU 75 - HE2 LYS 73 far 10 99 10 - 7.2-9.2 H LYS 39 - HE2 LYS 73 far 10 98 10 - 6.4-11.9 H LYS 39 - HE3 LYS 73 far 5 94 5 - 7.3-11.3 H ILE 15 - HE3 LYS 90 lone 3 78 40 9 6.7-11.5 6266/6118=2, 6209/1139=2 H LYS 13 - HE3 LYS 90 far 0 78 0 - 8.2-13.3 H LYS 90 - HE3 LYS 13 far 0 79 0 - 8.3-12.7 H LYS 90 - HE2 LYS 13 far 0 79 0 - 8.4-11.2 H GLU 17 - HE3 LYS 12 far 0 96 0 - 8.4-11.2 Violated in 0 structures by 0.00 A. Peak 573 from cnoeabs.peaks (4.15, 2.96, 41.80 ppm; 4.86 A): 6 out of 17 assignments used, quality = 1.00: * HA LYS 13 + HE3 LYS 13 OK 100 100 100 100 4.4-5.4 486/3.8=78, 518/3.8=71...(55) HA LYS 13 + HE2 LYS 13 OK 95 100 95 100 4.7-6.4 486/3.8=78, 518/3.8=71...(56) HA LYS 73 + HE2 LYS 73 OK 92 93 100 100 4.4-5.5 3232/4.0=46, 3231/4.0=45...(67) HA LYS 73 + HE3 LYS 73 OK 88 88 100 100 4.4-5.4 3232/4.0=46, 3231/4.0=45...(66) HA LYS 47 + HE2 LYS 47 OK 87 87 100 100 4.2-5.2 2127/3.8=52, 2126/3.8=50...(83) HA LYS 47 + HE3 LYS 47 OK 87 87 100 100 4.2-5.5 2127/3.8=52, 2126/3.8=50...(83) HB3 SER 85 - HE2 LYS 13 poor 20 65 75 41 4.3-7.8 ~10956=11, 9875/2.9=9...(7) HB3 SER 85 - HE3 LYS 13 poor 20 65 30 - 5.8-9.4 HA LYS 13 - HE3 LYS 12 far 10 99 10 - 5.9-8.7 HB3 SER 85 - HE3 LYS 90 far 2 44 5 - 6.0-10.2 HA LYS 13 - HE3 LYS 90 far 0 78 0 - 6.6-11.3 HA GLN 72 - HE3 LYS 73 far 0 96 0 - 7.4-8.6 HA GLN 72 - HE2 LYS 73 far 0 99 0 - 7.6-9.2 HA GLU 23 - HE2 LYS 24 far 0 99 0 - 8.3-9.4 HA GLU 23 - HE3 LYS 24 far 0 99 0 - 8.4-9.8 HA GLU 98 - HE3 LYS 24 far 0 71 0 - 9.3-14.0 HB2 SER 59 - HE2 LYS 13 far 0 100 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 574 from cnoeabs.peaks (1.92, 2.96, 41.80 ppm; 3.45 A): 7 out of 39 assignments used, quality = 1.00: HB2 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.3-4.1 5.0=33, 3.0/565=16...(97) HB3 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.9-4.7 5.0=33, 3.0/565=16...(95) * HB2 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.0-3.4 5.0=33, 3.0/565=16...(93) HB3 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.7-3.4 5.0=33, 3.0/565=16...(93) HB3 LYS 47 + HE2 LYS 47 OK 88 89 100 99 2.0-3.5 4.9=36, 2154/1.8=16...(118) HB3 LYS 47 + HE3 LYS 47 OK 88 89 100 99 2.1-4.4 4.9=36, 2154/1.8=16...(118) HB2 GLU 17 + HE3 LYS 90 OK 39 60 85 76 2.1-6.1 12027/3.8=23...(21) HB2 LYS 94 - HE3 LYS 24 far 10 99 10 - 4.0-12.3 HB2 GLU 43 - HE2 LYS 47 far 4 87 5 - 4.7-8.5 HB3 LEU 14 - HE2 LYS 13 far 0 97 0 - 5.1-6.2 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 5.3-12.1 HB3 LEU 14 - HE3 LYS 13 far 0 97 0 - 5.4-7.2 HB2 GLU 43 - HE3 LYS 47 far 0 87 0 - 5.4-9.4 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 5.5-9.2 HB2 LYS 13 - HE3 LYS 90 far 0 78 0 - 5.7-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 85 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.2-8.6 HB3 LEU 14 - HE3 LYS 90 far 0 72 0 - 6.2-11.2 HB2 LYS 20 - HE2 LYS 24 far 0 81 0 - 6.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 69 0 - 7.0-10.5 HB3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.2-9.3 HB3 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 77 0 - 7.4-11.8 HB2 LYS 20 - HE3 LYS 90 far 0 58 0 - 7.9-10.8 HB2 LYS 20 - HE3 LYS 24 far 0 81 0 - 7.9-9.9 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 82 0 - 8.2-11.9 HB2 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.3-10.6 HB2 ARG 19 - HE3 LYS 90 far 0 62 0 - 8.3-11.7 HB2 ARG 19 - HE3 LYS 12 far 0 84 0 - 8.6-12.0 HB2 LYS 33 - HE3 LYS 12 far 0 99 0 - 8.6-14.1 HB3 LEU 14 - HE3 LYS 12 far 0 95 0 - 8.9-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 96 0 - 8.9-13.2 HG LEU 42 - HE2 LYS 73 far 0 89 0 - 9.1-14.2 HB3 ARG 19 - HE3 LYS 90 far 0 73 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 82 0 - 9.3-12.9 HB2 GLU 17 - HE2 LYS 24 far 0 85 0 - 9.8-14.6 HG LEU 42 - HE3 LYS 73 far 0 84 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 575 from cnoeabs.peaks (1.91, 2.96, 41.80 ppm; 3.45 A): 7 out of 39 assignments used, quality = 1.00: HB2 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.3-4.1 5.0=33, 3.0/565=16...(97) HB3 LYS 13 + HE2 LYS 13 OK 99 100 100 99 2.9-4.7 5.0=33, 3.0/565=16...(95) HB2 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.0-3.4 5.0=33, 3.0/565=16...(93) * HB3 LYS 13 + HE3 LYS 13 OK 99 100 100 99 2.7-3.4 5.0=33, 3.0/565=16...(93) HB3 LYS 47 + HE2 LYS 47 OK 87 87 100 99 2.0-3.5 4.9=36, 2155/1.8=16...(118) HB3 LYS 47 + HE3 LYS 47 OK 87 87 100 99 2.1-4.4 4.9=36, 2155/1.8=16...(118) HB2 GLU 17 + HE3 LYS 90 OK 37 58 85 76 2.1-6.1 12027/3.8=22...(21) HB2 LYS 94 - HE3 LYS 24 far 10 99 10 - 4.0-12.3 HB2 GLU 43 - HE2 LYS 47 far 4 89 5 - 4.7-8.5 HB3 LEU 14 - HE2 LYS 13 far 0 98 0 - 5.1-6.2 HB2 LYS 94 - HE2 LYS 24 far 0 99 0 - 5.3-12.1 HB3 LEU 14 - HE3 LYS 13 far 0 98 0 - 5.4-7.2 HB2 GLU 43 - HE3 LYS 47 far 0 89 0 - 5.4-9.4 HB3 LYS 20 - HE2 LYS 24 far 0 91 0 - 5.5-9.2 HB2 LYS 13 - HE3 LYS 90 far 0 78 0 - 5.7-10.6 HB2 GLU 17 - HE2 LYS 13 far 0 82 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 91 0 - 6.2-8.6 HB3 LEU 14 - HE3 LYS 90 far 0 74 0 - 6.2-11.2 HB2 LYS 20 - HE2 LYS 24 far 0 85 0 - 6.9-10.5 HB3 LYS 20 - HE3 LYS 90 far 0 66 0 - 7.0-10.5 HB3 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.2-9.3 HB3 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 76 0 - 7.4-11.8 HB2 LYS 20 - HE3 LYS 90 far 0 60 0 - 7.9-10.8 HB2 LYS 20 - HE3 LYS 24 far 0 85 0 - 7.9-9.9 HG3 GLU 88 - HE3 LYS 90 far 0 55 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 79 0 - 8.2-11.9 HB2 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.3-10.6 HB2 ARG 19 - HE3 LYS 90 far 0 64 0 - 8.3-11.7 HB2 ARG 19 - HE3 LYS 12 far 0 87 0 - 8.6-12.0 HB2 LYS 33 - HE3 LYS 12 far 0 99 0 - 8.6-14.1 HB3 LEU 14 - HE3 LYS 12 far 0 96 0 - 8.9-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 94 0 - 8.9-13.2 HG LEU 42 - HE2 LYS 73 far 0 92 0 - 9.1-14.2 HB3 ARG 19 - HE3 LYS 90 far 0 72 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 79 0 - 9.3-12.9 HB2 GLU 17 - HE2 LYS 24 far 0 81 0 - 9.8-14.6 HG LEU 42 - HE3 LYS 73 far 0 87 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 576 from cnoeabs.peaks (1.43, 2.96, 41.80 ppm; 3.63 A): 4 out of 39 assignments used, quality = 1.00: * HG2 LYS 13 + HE3 LYS 13 OK 100 100 100 100 3.4-4.0 3.8=86, 518/6.0=21...(90) HG2 LYS 13 + HE2 LYS 13 OK 100 100 100 100 3.4-4.2 3.8=86, 518/6.0=21...(89) HG2 LYS 12 + HE3 LYS 12 OK 94 94 100 100 2.4-4.2 4.0=77, ~464=48...(54) HG3 ARG 91 + HE3 LYS 90 OK 22 64 55 62 3.1-6.8 ~4039=13, 10285/3.8=13...(16) HG3 LYS 39 - HE2 LYS 73 far 5 97 5 - 4.4-11.2 HG3 LYS 39 - HE3 LYS 73 far 0 93 0 - 5.3-11.0 HG2 LYS 20 - HE3 LYS 90 far 0 58 0 - 5.6-10.2 HG2 LYS 12 - HE3 LYS 13 far 0 96 0 - 6.3-9.5 QB ALA 71 - HE2 LYS 73 far 0 89 0 - 6.6-9.3 HG2 LYS 12 - HE2 LYS 13 far 0 96 0 - 6.7-10.1 HB2 LEU 38 - HE2 LYS 73 far 0 83 0 - 7.1-13.1 HG2 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.3-12.4 HG2 LYS 20 - HE2 LYS 24 far 0 81 0 - 7.4-11.4 HG2 LYS 20 - HE3 LYS 24 far 0 81 0 - 7.4-11.2 QB ALA 71 - HE3 LYS 73 far 0 84 0 - 7.4-8.6 QB ALA 22 - HE3 LYS 24 far 0 100 0 - 7.5-10.1 QB ALA 22 - HE2 LYS 24 far 0 100 0 - 7.5-9.8 HG LEU 38 - HE2 LYS 73 far 0 76 0 - 7.6-14.2 HG2 LYS 13 - HE3 LYS 12 far 0 99 0 - 7.9-9.0 HD3 LYS 40 - HE2 LYS 47 far 0 55 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 55 0 - 8.1-14.8 HB2 LEU 38 - HE3 LYS 73 far 0 78 0 - 8.4-12.3 QB ALA 22 - HE3 LYS 90 far 0 78 0 - 8.6-10.7 HG13 ILE 76 - HE3 LYS 47 far 0 89 0 - 8.7-11.8 HB2 LEU 27 - HE2 LYS 24 far 0 81 0 - 8.8-12.0 HG12 ILE 7 - HE3 LYS 90 far 0 77 0 - 9.0-12.9 HG LEU 38 - HE3 LYS 73 far 0 71 0 - 9.2-13.0 HG13 ILE 76 - HE2 LYS 47 far 0 89 0 - 9.2-11.8 HG13 ILE 52 - HE2 LYS 47 far 0 69 0 - 9.2-12.7 HB2 LEU 27 - HE3 LYS 24 far 0 81 0 - 9.4-12.1 HG LEU 29 - HE3 LYS 90 far 0 78 0 - 9.5-13.6 HG3 ARG 91 - HE2 LYS 13 far 0 89 0 - 9.6-13.0 HD2 LYS 40 - HE2 LYS 47 far 0 57 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 57 0 - 9.6-13.6 HG3 LYS 39 - HE2 LYS 47 far 0 87 0 - 9.7-15.9 HG3 ARG 91 - HE3 LYS 13 far 0 90 0 - 9.7-14.1 HG13 ILE 52 - HE3 LYS 47 far 0 69 0 - 9.9-13.5 HG13 ILE 76 - HE3 LYS 73 far 0 95 0 - 10.0-13.4 HG12 ILE 7 - HE2 LYS 13 far 0 100 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 577 from cnoeabs.peaks (1.50, 2.96, 41.80 ppm; 3.07 A): 9 out of 29 assignments used, quality = 1.00: HG2 LYS 73 + HE2 LYS 73 OK 96 99 100 98 2.1-4.0 4.0=45, 3297/3.0=13...(93) HG3 LYS 24 + HE2 LYS 24 OK 96 98 100 98 2.0-3.9 3.7=56, 1096/6.2=12...(96) HG3 LYS 24 + HE3 LYS 24 OK 96 98 100 98 2.2-3.9 3.7=56, 1096/6.2=12...(95) * HG3 LYS 13 + HE3 LYS 13 OK 94 100 100 94 2.0-3.6 3.8=52, 486/6.0=13...(70) HG3 LYS 13 + HE2 LYS 13 OK 94 100 100 94 2.1-3.6 3.8=52, 486/6.0=13...(70) HG2 LYS 73 + HE3 LYS 73 OK 93 95 100 98 2.2-3.7 4.0=45, 3297/3.0=13...(98) HG2 LYS 47 + HE2 LYS 47 OK 88 89 100 99 2.4-4.0 3.8=54, 1.8/2177=12...(102) HG2 LYS 47 + HE3 LYS 47 OK 88 89 100 98 2.3-3.8 3.8=54, 1.8/2176=12...(102) HB2 LEU 14 + HE2 LYS 13 OK 23 85 50 53 4.4-6.0 3.8/6196=8, 245/3.8=7...(26) HB2 LEU 14 - HE3 LYS 13 far 0 85 0 - 4.7-7.1 HB2 LEU 14 - HE3 LYS 90 far 0 60 0 - 4.9-9.9 HB2 ARG 91 - HE3 LYS 90 far 0 75 0 - 5.4-8.6 HG LEU 38 - HE2 LYS 73 far 0 59 0 - 7.6-14.2 HG3 LYS 13 - HE3 LYS 90 far 0 78 0 - 7.9-12.9 HD3 LYS 40 - HE2 LYS 47 far 0 60 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 60 0 - 8.1-14.8 HG3 LYS 66 - HE3 LYS 73 far 0 95 0 - 8.1-13.3 HG3 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.6-10.0 HG3 LYS 33 - HE3 LYS 12 far 0 98 0 - 9.0-14.0 HG LEU 57 - HE3 LYS 90 far 0 78 0 - 9.1-10.7 HG LEU 38 - HE3 LYS 73 far 0 55 0 - 9.2-13.0 HG3 LYS 24 - HE3 LYS 90 far 0 75 0 - 9.2-13.2 HG2 LYS 66 - HE3 LYS 73 far 0 95 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 83 0 - 9.4-13.6 HD2 LYS 40 - HE2 LYS 47 far 0 59 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 59 0 - 9.6-13.6 HG LEU 2 - HE2 LYS 47 far 0 81 0 - 9.6-13.8 HG3 LYS 66 - HE2 LYS 73 far 0 99 0 - 9.7-14.7 HB ILE 7 - HE3 LYS 90 far 0 60 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 578 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 20 out of 75 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/565=9...(53) * HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/565=9...(53) HD3 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 71 80 100 90 2.2-2.7 3.0=69, 3.0/2177=6...(51) HD3 LYS 47 + HE3 LYS 47 OK 71 80 100 90 2.9-3.0 3.0=69, 3.0/2176=6...(51) HD2 LYS 47 + HE2 LYS 47 OK 70 78 100 90 2.9-3.0 3.0=69, 3.0/2176=6...(51) HD2 LYS 47 + HE3 LYS 47 OK 70 78 100 90 2.3-2.8 3.0=69, 3.0/2177=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 66 78 100 85 2.6-3.0 3.0=70, 2.9/4005=16...(14) HD2 LYS 73 + HE2 LYS 73 OK 61 69 100 88 2.7-3.0 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE2 LYS 73 OK 58 65 100 89 2.2-2.6 3.0=68, 3298/4.0=6...(50) HD2 LYS 73 + HE3 LYS 73 OK 57 64 100 89 2.3-2.9 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE3 LYS 73 OK 54 60 100 89 2.7-3.0 3.0=68, 3298/4.0=6...(50) HD2 LYS 90 + HE3 LYS 90 OK 32 40 100 81 2.2-3.0 3.0=70, 2.9/4005=16...(12) HG2 PRO 86 - HE2 LYS 13 lone 14 99 85 17 2.0-5.3 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 9 94 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 13 lone 9 99 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HG2 PRO 86 - HE3 LYS 90 far 4 76 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 63 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 99 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 90 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 76 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 78 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 59 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 78 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 59 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 69 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 83 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 96 0 - 6.3-8.6 HD2 LYS 90 - HE2 LYS 13 far 0 59 0 - 6.4-12.8 HD2 LYS 90 - HE3 LYS 13 far 0 59 0 - 6.5-12.8 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 83 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 84 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 84 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 96 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD2 LYS 90 - HE2 LYS 24 far 0 59 0 - 7.4-15.0 HD3 LYS 20 - HE2 LYS 24 far 0 83 0 - 7.6-12.5 HD2 LYS 90 - HE3 LYS 24 far 0 59 0 - 7.6-15.4 HD3 LYS 66 - HE2 LYS 73 far 0 99 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 78 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 79 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 55 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 87 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 77 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 64 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 79 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 84 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 100 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 83 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 88 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 87 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 86 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 78 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 93 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 64 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 88 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 84 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 579 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 20 out of 75 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/565=9...(53) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/565=9...(53) * HD3 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/565=9...(53) HD3 LYS 24 + HE2 LYS 24 OK 91 99 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 91 99 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 90 99 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 90 99 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 88 99 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 69 77 100 90 2.2-2.7 3.0=69, 3.0/2176=6...(51) HD3 LYS 47 + HE3 LYS 47 OK 69 77 100 90 2.9-3.0 3.0=69, 3.0/2176=6...(51) HD2 LYS 47 + HE2 LYS 47 OK 68 76 100 90 2.9-3.0 3.0=69, 3.0/2177=6...(51) HD2 LYS 47 + HE3 LYS 47 OK 68 76 100 90 2.3-2.8 3.0=69, 3.0/2177=6...(50) HD3 LYS 90 + HE3 LYS 90 OK 66 77 100 85 2.6-3.0 3.0=70, 2.9/4005=16...(14) HD2 LYS 73 + HE2 LYS 73 OK 57 65 100 88 2.7-3.0 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE2 LYS 73 OK 54 61 100 89 2.2-2.6 3.0=68, 3298/4.0=5...(50) HD2 LYS 73 + HE3 LYS 73 OK 53 60 100 89 2.3-2.9 3.0=68, 3298/4.0=5...(46) HD3 LYS 73 + HE3 LYS 73 OK 50 57 100 89 2.7-3.0 3.0=68, 3298/4.0=5...(50) HD2 LYS 90 + HE3 LYS 90 OK 34 43 100 81 2.2-3.0 3.0=70, 2.9/4005=16...(12) HG2 PRO 86 - HE2 LYS 13 lone 14 99 85 17 2.0-5.3 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 10 96 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 13 lone 9 99 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HG2 PRO 86 - HE3 LYS 90 far 4 75 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 60 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 99 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 91 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 80 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 78 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 78 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 66 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 80 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 98 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 95 0 - 6.3-8.6 HD2 LYS 90 - HE2 LYS 13 far 0 63 0 - 6.4-12.8 HD2 LYS 90 - HE3 LYS 13 far 0 63 0 - 6.5-12.8 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 80 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 87 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 87 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 96 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD2 LYS 90 - HE2 LYS 24 far 0 63 0 - 7.4-15.0 HD3 LYS 20 - HE2 LYS 24 far 0 80 0 - 7.6-12.5 HD2 LYS 90 - HE3 LYS 24 far 0 63 0 - 7.6-15.4 HD3 LYS 66 - HE2 LYS 73 far 0 99 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 77 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 82 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 58 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 85 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 76 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 99 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 99 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 60 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 82 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 99 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 81 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 99 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 80 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 85 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 85 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 83 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 77 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 91 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 60 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 85 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 80 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 580 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 99 99 - 100 HE2 LYS 73 + HE2 LYS 73 OK 98 98 - 100 HE3 LYS 73 + HE3 LYS 73 OK 90 90 - 100 HE2 LYS 47 + HE2 LYS 47 OK 85 85 - 100 HE3 LYS 47 + HE3 LYS 47 OK 85 85 - 100 HE3 LYS 90 + HE3 LYS 90 OK 62 62 - 100 Reference assignment not found: HE2 LYS 13 - HE3 LYS 13 Peak 581 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 98 98 - 100 HE2 LYS 73 + HE2 LYS 73 OK 98 98 - 100 HE3 LYS 73 + HE3 LYS 73 OK 92 92 - 100 HE2 LYS 47 + HE2 LYS 47 OK 83 83 - 100 HE3 LYS 47 + HE3 LYS 47 OK 83 83 - 100 HE3 LYS 90 + HE3 LYS 90 OK 64 64 - 100 Peak 583 from cnoeabs.peaks (7.55, 3.68, 59.00 ppm; 3.58 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 14 + HA LEU 14 OK 100 100 100 100 2.8-2.8 3.0=100 H GLU 88 + HA GLU 88 OK 47 47 100 100 2.8-2.8 3.0=100 H LEU 38 + HA GLU 37 OK 36 36 100 100 3.5-3.6 3.6=100 H GLU 88 - HA LEU 14 far 0 93 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 584 from cnoeabs.peaks (3.68, 3.68, 59.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LEU 14 + HA LEU 14 OK 100 100 - 100 HA GLU 88 + HA GLU 88 OK 43 43 - 100 HA GLU 37 + HA GLU 37 OK 32 32 - 100 Peak 585 from cnoeabs.peaks (1.52, 3.68, 59.00 ppm; 3.52 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LEU 14 + HA LEU 14 OK 100 100 100 100 2.2-2.3 3.0=100 HB2 ARG 91 + HA GLU 88 OK 25 29 100 85 2.8-4.5 4024=28, 3.9/7432=20...(13) HG3 LYS 13 - HA LEU 14 far 13 85 15 - 3.6-5.7 HG3 LYS 33 - HA GLU 37 far 4 39 10 - 5.0-6.9 HG LEU 57 - HA GLU 88 far 0 45 0 - 6.1-7.0 HG2 LYS 33 - HA GLU 37 far 0 32 0 - 6.2-8.2 HB3 LEU 103 - HA GLU 88 far 0 55 0 - 7.5-16.7 HG LEU 57 - HA LEU 14 far 0 91 0 - 7.7-9.3 HB ILE 7 - HA LEU 14 far 0 100 0 - 7.8-8.3 HG LEU 6 - HA GLU 37 far 0 45 0 - 8.1-10.7 HB2 LEU 14 - HA GLU 88 far 0 55 0 - 8.2-9.1 HG3 LYS 66 - HA GLU 37 far 0 30 0 - 9.0-12.7 HB2 ARG 91 - HA LEU 14 far 0 65 0 - 9.2-10.9 HG2 LYS 66 - HA GLU 37 far 0 28 0 - 9.3-13.8 HG12 ILE 56 - HA GLU 37 far 0 43 0 - 9.7-13.8 HG3 ARG 30 - HA GLU 37 far 0 44 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 586 from cnoeabs.peaks (1.90, 3.68, 59.00 ppm; 3.59 A): 3 out of 20 assignments used, quality = 1.00: * HB3 LEU 14 + HA LEU 14 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 LYS 13 + HA LEU 14 OK 93 97 100 96 4.1-4.4 3.0/8391=30, 516/3.0=28...(32) HB2 GLU 17 + HA LEU 14 OK 51 59 100 86 2.6-4.9 3.0/8477=32, 3.0/8478=24...(15) HB3 LYS 13 - HA LEU 14 far 0 98 0 - 5.6-5.6 HB3 GLU 104 - HA GLU 88 far 0 34 0 - 6.0-17.8 HB3 LYS 33 - HA GLU 37 far 0 42 0 - 6.3-7.9 HB3 LYS 39 - HA GLU 37 far 0 20 0 - 6.7-7.6 HB VAL 32 - HA GLU 37 far 0 22 0 - 6.7-8.1 HG LEU 42 - HA GLU 37 far 0 44 0 - 6.9-7.7 HB2 GLU 43 - HA GLU 37 far 0 45 0 - 7.4-10.1 HB2 ARG 19 - HA LEU 14 far 0 99 0 - 7.4-10.0 HB3 LYS 12 - HA LEU 14 far 0 65 0 - 7.7-8.3 HB2 LYS 33 - HA GLU 37 far 0 40 0 - 7.7-9.2 HB3 ARG 19 - HA LEU 14 far 0 82 0 - 7.7-9.7 HB2 LYS 12 - HA LEU 14 far 0 61 0 - 7.8-8.6 HB2 LYS 94 - HA GLU 88 far 0 46 0 - 8.0-10.5 HB2 GLU 17 - HA GLU 88 far 0 26 0 - 8.5-10.3 HB2 LYS 20 - HA LEU 14 far 0 98 0 - 8.9-10.3 HB3 LYS 20 - HA LEU 14 far 0 73 0 - 9.0-10.5 HB3 LEU 14 - HA GLU 88 far 0 55 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 587 from cnoeabs.peaks (1.35, 3.68, 59.00 ppm; 3.56 A): 4 out of 12 assignments used, quality = 1.00: * HG LEU 14 + HA LEU 14 OK 100 100 100 100 2.8-3.1 611=90, 6200/3.0=44...(28) QB ALA 89 + HA LEU 14 OK 91 99 100 92 3.7-4.7 10971/8422=39...(18) QB ALA 89 + HA GLU 88 OK 51 52 100 98 4.9-5.0 7407/3.6=56, 8592/3.0=24...(23) HG3 LYS 40 + HA GLU 37 OK 21 43 50 95 4.1-5.8 2.9/1794=42, 2.9/1782=41...(17) HG2 LYS 39 - HA GLU 37 poor 13 45 50 57 4.4-8.3 1712/6615=19...(10) HG LEU 14 - HA GLU 88 far 0 55 0 - 7.6-9.2 QB ALA 67 - HA GLU 37 far 0 42 0 - 7.6-8.7 HG3 LYS 94 - HA GLU 88 far 0 35 0 - 7.6-11.0 HB3 ARG 30 - HA GLU 37 far 0 36 0 - 7.7-9.9 HG2 LYS 94 - HA GLU 88 far 0 52 0 - 8.4-11.7 HG12 ILE 8 - HA GLU 37 far 0 42 0 - 8.8-10.7 HB2 LEU 70 - HA GLU 37 far 0 38 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 588 from cnoeabs.peaks (0.68, 3.68, 59.00 ppm; 3.58 A): 2 out of 15 assignments used, quality = 1.00: * QD1 LEU 14 + HA LEU 14 OK 100 100 100 100 3.0-3.7 4.0=72, 2.1/611=65...(34) QD2 LEU 14 + HA LEU 14 OK 75 75 100 100 3.6-4.0 4.0=72, 2.1/611=65...(35) QD1 LEU 14 - HA GLU 88 far 0 55 0 - 5.6-6.0 QD2 LEU 29 - HA LEU 14 far 0 68 0 - 6.2-8.2 QD2 LEU 6 - HA GLU 37 far 0 43 0 - 6.3-9.1 QD1 LEU 42 - HA GLU 37 far 0 43 0 - 6.5-7.5 QD1 LEU 29 - HA LEU 14 far 0 87 0 - 6.9-8.3 QD1 ILE 8 - HA GLU 37 far 0 27 0 - 7.3-8.5 QD1 ILE 56 - HA GLU 37 far 0 29 0 - 7.4-11.7 QD2 LEU 14 - HA GLU 88 far 0 35 0 - 7.9-8.3 QD2 LEU 29 - HA GLU 88 far 0 31 0 - 9.3-11.7 QG2 VAL 58 - HA GLU 88 far 0 55 0 - 9.4-9.8 QD1 LEU 29 - HA GLU 88 far 0 42 0 - 9.4-11.7 HG13 ILE 56 - HA GLU 37 far 0 23 0 - 10.0-12.3 QG2 VAL 54 - HA GLU 37 far 0 35 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 589 from cnoeabs.peaks (0.71, 3.68, 59.00 ppm; 3.54 A): 2 out of 18 assignments used, quality = 1.00: * QD2 LEU 14 + HA LEU 14 OK 100 100 100 100 3.6-4.0 4.0=69, 2.1/611=63...(37) QD1 LEU 14 + HA LEU 14 OK 75 75 100 100 3.0-3.7 4.0=69, 2.1/611=63...(33) QD1 LEU 14 - HA GLU 88 far 0 35 0 - 5.6-6.0 QD2 LEU 6 - HA GLU 37 far 0 36 0 - 6.3-9.1 QD1 LEU 42 - HA GLU 37 far 0 37 0 - 6.5-7.5 QD1 ILE 8 - HA GLU 37 far 0 45 0 - 7.3-8.5 HG3 ARG 81 - HA GLU 88 far 0 35 0 - 7.3-8.9 HG13 ILE 93 - HA GLU 88 far 0 31 0 - 7.3-9.5 QD1 ILE 56 - HA GLU 37 far 0 45 0 - 7.4-11.7 QD2 LEU 14 - HA GLU 88 far 0 55 0 - 7.9-8.3 QG1 VAL 5 - HA GLU 88 far 0 48 0 - 8.3-9.1 QG1 VAL 5 - HA LEU 14 far 0 94 0 - 8.6-9.2 HG13 ILE 93 - HA LEU 14 far 0 68 0 - 8.9-10.6 QG2 VAL 58 - HA GLU 88 far 0 33 0 - 9.4-9.8 QD1 LEU 64 - HA GLU 88 far 0 33 0 - 9.8-10.9 QG1 VAL 78 - HA GLU 37 far 0 23 0 - 9.9-11.4 QG1 VAL 58 - HA GLU 37 far 0 42 0 - 9.9-11.1 HG13 ILE 56 - HA GLU 37 far 0 44 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 590 from cnoeabs.peaks (8.07, 3.68, 59.00 ppm; 3.93 A): 5 out of 6 assignments used, quality = 1.00: * H ILE 15 + HA LEU 14 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 17 + HA LEU 14 OK 95 99 100 96 3.4-3.8 6245=49, 6256/593=43...(18) H LYS 39 + HA GLU 37 OK 41 43 100 95 4.4-5.0 6591/3.6=59, 6577/3.0=47...(14) H LYS 90 + HA GLU 88 OK 35 38 100 92 5.0-5.2 7408/3.6=50, 7398/3.0=32...(19) H LYS 90 + HA LEU 14 OK 33 81 50 82 4.9-6.3 9950/8422=26, 3.6/587=18...(17) H LYS 13 - HA LEU 14 far 15 100 15 - 5.4-5.5 Violated in 0 structures by 0.00 A. Peak 591 from cnoeabs.peaks (8.06, 3.68, 59.00 ppm; 4.09 A): 6 out of 6 assignments used, quality = 1.00: H ILE 15 + HA LEU 14 OK 99 99 100 100 3.5-3.6 3.6=100 * H GLU 17 + HA LEU 14 OK 98 100 100 98 3.4-3.8 6245=50, 6256/593=47...(18) H LYS 13 + HA LEU 14 OK 95 98 100 97 5.4-5.5 6182/3.0=76, 8389=44...(11) H LYS 90 + HA LEU 14 OK 68 95 80 90 4.9-6.3 9950/8422=35, 3.6/587=20...(18) H LYS 90 + HA GLU 88 OK 47 48 100 97 5.0-5.2 7408/3.6=62, 7398/3.0=42...(19) H LYS 39 + HA GLU 37 OK 35 37 100 95 4.4-5.0 6591/3.6=59, 6577/3.0=47...(14) Violated in 0 structures by 0.00 A. Peak 592 from cnoeabs.peaks (1.94, 3.68, 59.00 ppm; 3.45 A): 5 out of 16 assignments used, quality = 1.00: * HB2 GLU 17 + HA LEU 14 OK 87 100 100 87 2.6-4.9 3.0/8477=29, 742/8395=22...(19) HB2 LYS 13 + HA LEU 14 OK 81 85 100 95 4.1-4.4 3.0/8391=27, 4.0/8389=22...(32) HB3 LEU 14 + HA LEU 14 OK 59 59 100 100 2.9-3.0 3.0=100 HG3 GLU 88 + HA GLU 88 OK 55 55 100 99 3.4-3.8 3894=57, 1.8/3887=47...(19) HB2 GLU 37 + HA GLU 37 OK 24 24 100 100 2.2-3.0 3.0=100 HB3 LYS 13 - HA LEU 14 far 0 82 0 - 5.6-5.6 HB3 LYS 33 - HA GLU 37 far 0 32 0 - 6.3-7.9 HB VAL 32 - HA GLU 37 far 0 45 0 - 6.7-8.1 HB2 GLU 43 - HA GLU 37 far 0 24 0 - 7.4-10.1 HB2 LYS 33 - HA GLU 37 far 0 34 0 - 7.7-9.2 HB3 ARG 19 - HA LEU 14 far 0 98 0 - 7.7-9.7 HB2 LYS 94 - HA GLU 88 far 0 47 0 - 8.0-10.5 HG3 GLU 88 - HA LEU 14 far 0 100 0 - 8.2-10.3 HB2 GLU 17 - HA GLU 88 far 0 55 0 - 8.5-10.3 HB3 LYS 20 - HA LEU 14 far 0 100 0 - 9.0-10.5 HB3 LEU 14 - HA GLU 88 far 0 26 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 593 from cnoeabs.peaks (2.01, 3.68, 59.00 ppm; 3.82 A): 2 out of 10 assignments used, quality = 0.96: * HB3 GLU 17 + HA LEU 14 OK 94 100 100 94 2.9-4.5 748/8477=38...(18) HB2 GLU 37 + HA GLU 37 OK 30 30 100 100 2.2-3.0 3.0=100 QE MET 74 - HA GLU 37 far 0 45 0 - 7.0-8.2 HB2 GLU 44 - HA GLU 37 far 0 44 0 - 7.4-11.5 HB2 GLU 35 - HA GLU 37 far 0 45 0 - 7.5-8.5 HG12 ILE 93 - HA GLU 88 far 0 35 0 - 7.7-9.8 HB3 LYS 94 - HA GLU 88 far 0 49 0 - 8.0-10.8 HB3 GLU 17 - HA GLU 88 far 0 55 0 - 8.4-10.6 HB3 GLU 44 - HA GLU 37 far 0 44 0 - 8.9-12.0 HG12 ILE 93 - HA LEU 14 far 0 75 0 - 9.2-11.5 Violated in 0 structures by 0.00 A. Peak 594 from cnoeabs.peaks (7.55, 1.52, 41.23 ppm; 3.58 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.9-3.1 3.8=81, 602/1.8=71...(28) H GLU 88 - HB2 LEU 14 far 0 93 0 - 6.1-6.9 H LEU 14 - HB ILE 7 far 0 91 0 - 8.7-8.9 Violated in 0 structures by 0.00 A. Peak 595 from cnoeabs.peaks (3.68, 1.52, 41.23 ppm; 3.77 A): 1 out of 5 assignments used, quality = 1.00: * HA LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.2-2.3 3.0=100 HA LYS 90 - HB2 LEU 14 far 0 98 0 - 7.7-9.0 HA LYS 90 - HB ILE 7 far 0 86 0 - 7.8-8.9 HA LEU 14 - HB ILE 7 far 0 91 0 - 7.8-8.3 HA GLU 88 - HB2 LEU 14 far 0 88 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 596 from cnoeabs.peaks (1.52, 1.52, 41.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 14 + HB2 LEU 14 OK 100 100 - 100 HB ILE 7 + HB ILE 7 OK 91 91 - 100 Peak 597 from cnoeabs.peaks (1.90, 1.52, 41.23 ppm; 3.09 A): 1 out of 15 assignments used, quality = 1.00: * HB3 LEU 14 + HB2 LEU 14 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 17 - HB2 LEU 14 far 0 59 0 - 4.7-6.8 HB2 LYS 13 - HB2 LEU 14 far 0 97 0 - 4.9-5.4 HB2 ARG 19 - HB ILE 7 far 0 88 0 - 5.3-8.0 HB3 ARG 19 - HB ILE 7 far 0 69 0 - 5.8-8.2 HB3 LYS 13 - HB2 LEU 14 far 0 98 0 - 6.1-6.3 HB ILE 8 - HB ILE 7 far 0 90 0 - 6.7-7.1 HB VAL 32 - HB ILE 7 far 0 50 0 - 6.9-8.2 HB3 LEU 14 - HB ILE 7 far 0 91 0 - 7.4-7.8 HB2 GLU 17 - HB ILE 7 far 0 49 0 - 7.9-10.5 HB3 LYS 12 - HB2 LEU 14 far 0 65 0 - 8.2-8.8 HB2 LYS 12 - HB2 LEU 14 far 0 61 0 - 8.7-9.2 HB2 ARG 19 - HB2 LEU 14 far 0 99 0 - 9.1-11.6 HB3 ARG 19 - HB2 LEU 14 far 0 82 0 - 9.4-11.6 HB2 LYS 12 - HB ILE 7 far 0 50 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 598 from cnoeabs.peaks (1.35, 1.52, 41.23 ppm; 3.57 A): 3 out of 7 assignments used, quality = 1.00: * HG LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.6-2.9 3.0=100 QB ALA 89 + HB2 LEU 14 OK 92 99 100 93 3.5-4.5 606/1.8=31, 630/3.1=25...(21) QB ALA 89 + HB ILE 7 OK 34 88 70 55 4.3-5.3 12172/3.2=22, ~8259=9...(11) HG LEU 14 - HB ILE 7 far 0 91 0 - 5.3-6.3 HG12 ILE 8 - HB ILE 7 far 0 86 0 - 5.4-5.9 HB3 ARG 30 - HB ILE 7 far 0 78 0 - 5.8-6.9 QB ALA 67 - HB ILE 7 far 0 86 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 599 from cnoeabs.peaks (0.68, 1.52, 41.23 ppm; 3.29 A): 5 out of 15 assignments used, quality = 1.00: * QD1 LEU 14 + HB2 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 QD2 LEU 14 + HB2 LEU 14 OK 75 75 100 100 2.9-3.1 3.1=100 QD1 LEU 29 + HB ILE 7 OK 67 74 100 90 1.9-3.4 2.1/247=17, 2.1/245=16...(34) QD2 LEU 14 + HB ILE 7 OK 51 63 100 81 4.0-4.4 628=19, ~11079=18...(24) QD2 LEU 29 + HB ILE 7 OK 47 56 100 84 2.3-3.5 10501/2.1=18, 2.1/245=16...(28) QD1 ILE 8 - HB ILE 7 far 0 61 0 - 4.9-6.8 QD2 LEU 6 - HB ILE 7 far 0 89 0 - 5.1-6.4 QD1 LEU 14 - HB ILE 7 far 0 91 0 - 5.4-6.2 QD1 ILE 56 - HB ILE 7 far 0 64 0 - 5.9-8.6 HG13 ILE 56 - HB ILE 7 far 0 52 0 - 6.6-9.6 QD2 LEU 29 - HB2 LEU 14 far 0 68 0 - 7.0-8.8 QD1 LEU 29 - HB2 LEU 14 far 0 87 0 - 7.7-8.7 QG2 VAL 58 - HB ILE 7 far 0 91 0 - 8.1-8.4 QG2 VAL 58 - HB2 LEU 14 far 0 100 0 - 8.8-10.0 QD1 ILE 8 - HB2 LEU 14 far 0 73 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 600 from cnoeabs.peaks (0.71, 1.52, 41.23 ppm; 3.26 A): 4 out of 18 assignments used, quality = 1.00: * QD2 LEU 14 + HB2 LEU 14 OK 100 100 100 100 2.9-3.1 3.1=100 QD2 LEU 14 + HB ILE 7 OK 81 91 100 90 4.0-4.4 628=28, 12015/2.9=22...(25) QD1 LEU 14 + HB2 LEU 14 OK 75 75 100 100 1.9-2.1 3.1=100 QG1 VAL 5 + HB ILE 7 OK 55 81 100 68 3.8-4.5 10196=20, 174/3.0=14...(15) QD1 ILE 8 - HB ILE 7 far 0 91 0 - 4.9-6.8 QD2 LEU 6 - HB ILE 7 far 0 77 0 - 5.1-6.4 QD1 LEU 14 - HB ILE 7 far 0 63 0 - 5.4-6.2 QD1 ILE 56 - HB ILE 7 far 0 91 0 - 5.9-8.6 HG13 ILE 93 - HB ILE 7 far 0 56 0 - 6.2-8.3 QG1 VAL 58 - HB ILE 7 far 0 87 0 - 6.4-6.8 HG13 ILE 56 - HB ILE 7 far 0 90 0 - 6.6-9.6 QG2 VAL 58 - HB ILE 7 far 0 59 0 - 8.1-8.4 QG1 VAL 5 - HB2 LEU 14 far 0 94 0 - 8.8-9.4 QG2 VAL 58 - HB2 LEU 14 far 0 71 0 - 8.8-10.0 QG1 VAL 58 - HB2 LEU 14 far 0 98 0 - 9.2-10.4 HG13 ILE 93 - HB2 LEU 14 far 0 68 0 - 9.4-11.0 QD1 ILE 8 - HB2 LEU 14 far 0 100 0 - 9.6-11.4 QD1 LEU 64 - HB ILE 7 far 0 59 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 601 from cnoeabs.peaks (8.07, 1.52, 41.23 ppm; 4.02 A): 1 out of 7 assignments used, quality = 1.00: * H ILE 15 + HB2 LEU 14 OK 100 100 100 100 3.9-4.1 6211=100, 6212/1.8=62...(23) H LYS 90 - HB2 LEU 14 far 4 81 5 - 5.5-6.8 H GLU 17 - HB2 LEU 14 far 0 99 0 - 5.5-6.0 H LYS 13 - HB2 LEU 14 far 0 100 0 - 5.7-6.0 H ILE 15 - HB ILE 7 far 0 91 0 - 6.1-6.5 H LYS 90 - HB ILE 7 far 0 68 0 - 7.8-8.9 H GLU 17 - HB ILE 7 far 0 88 0 - 8.0-8.6 Violated in 9 structures by 0.01 A. Peak 602 from cnoeabs.peaks (7.55, 1.90, 41.23 ppm; 3.66 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 3.8=87, 594/1.8=75...(33) H GLU 88 - HB3 LEU 14 far 0 93 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 603 from cnoeabs.peaks (3.68, 1.90, 41.23 ppm; 4.03 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 90 - HB3 LEU 14 far 0 98 0 - 8.6-9.9 HA GLU 88 - HB3 LEU 14 far 0 88 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 604 from cnoeabs.peaks (1.52, 1.90, 41.23 ppm; 3.17 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 HG3 LYS 13 - HB3 LEU 14 far 13 85 15 - 3.8-5.1 HB ILE 7 - HB3 LEU 14 far 0 100 0 - 7.4-7.8 HG LEU 57 - HB3 LEU 14 far 0 91 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 605 from cnoeabs.peaks (1.90, 1.90, 41.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + HB3 LEU 14 OK 100 100 - 100 Peak 606 from cnoeabs.peaks (1.35, 1.90, 41.23 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HG LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.8-3.0 3.0=100 QB ALA 89 + HB3 LEU 14 OK 95 99 100 96 4.3-5.2 598/1.8=34, 630/3.1=28...(20) HG12 ILE 8 - HB3 LEU 14 far 0 98 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 607 from cnoeabs.peaks (0.68, 1.90, 41.23 ppm; 3.67 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 14 + HB3 LEU 14 OK 100 100 100 100 2.6-3.0 3.1=100 QD2 LEU 14 + HB3 LEU 14 OK 75 75 100 100 1.9-2.1 3.1=100 QD2 LEU 29 - HB3 LEU 14 far 0 68 0 - 6.8-8.6 QD1 LEU 29 - HB3 LEU 14 far 0 87 0 - 7.8-8.5 QG2 VAL 58 - HB3 LEU 14 far 0 100 0 - 8.8-9.6 QD1 ILE 8 - HB3 LEU 14 far 0 73 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 608 from cnoeabs.peaks (0.71, 1.90, 41.23 ppm; 3.48 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 14 + HB3 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 QD1 LEU 14 + HB3 LEU 14 OK 75 75 100 100 2.6-3.0 3.1=100 QG1 VAL 58 - HB3 LEU 14 far 0 98 0 - 8.7-9.9 QG2 VAL 58 - HB3 LEU 14 far 0 71 0 - 8.8-9.6 QD1 ILE 8 - HB3 LEU 14 far 0 100 0 - 8.9-10.5 QG1 VAL 5 - HB3 LEU 14 far 0 94 0 - 9.1-9.5 Violated in 0 structures by 0.00 A. Peak 609 from cnoeabs.peaks (8.07, 1.90, 41.23 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 15 + HB3 LEU 14 OK 100 100 100 100 2.6-2.8 6211/1.8=80, 4.4=76...(28) H LYS 13 + HB3 LEU 14 OK 94 100 100 94 4.7-4.8 6182/602=63, 8389/3.0=37...(15) H GLU 17 - HB3 LEU 14 far 0 99 0 - 5.7-6.0 H LYS 90 - HB3 LEU 14 far 0 81 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 610 from cnoeabs.peaks (7.55, 1.35, 28.11 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 14 + HG LEU 14 OK 100 100 100 100 4.2-4.5 6200=100, 626/2.1=84...(23) H GLU 88 - HG LEU 14 far 0 93 0 - 6.3-7.6 Violated in 0 structures by 0.00 A. Peak 611 from cnoeabs.peaks (3.68, 1.35, 28.11 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 14 + HG LEU 14 OK 100 100 100 100 2.8-3.1 4.3=65, 3.0/6200=48...(28) HA LYS 90 - HG LEU 14 far 0 98 0 - 5.8-7.4 HA GLU 88 - HG LEU 14 far 0 88 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 612 from cnoeabs.peaks (1.52, 1.35, 28.11 ppm; 3.52 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 14 + HG LEU 14 OK 100 100 100 100 2.6-2.9 3.0=100 HG LEU 57 - HG LEU 14 far 0 91 0 - 5.1-6.7 HB ILE 7 - HG LEU 14 far 0 100 0 - 5.3-6.3 HG3 LYS 13 - HG LEU 14 far 0 85 0 - 5.9-7.7 HB2 ARG 91 - HG LEU 14 far 0 65 0 - 8.6-10.3 Violated in 0 structures by 0.00 A. Peak 613 from cnoeabs.peaks (1.90, 1.35, 28.11 ppm; 3.83 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LEU 14 + HG LEU 14 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLU 17 + HG LEU 14 OK 31 59 70 74 4.0-6.6 4.6/8334=15, 4.0/617=11...(18) HB2 LYS 13 - HG LEU 14 far 0 97 0 - 6.8-7.1 HB2 ARG 19 - HG LEU 14 far 0 99 0 - 7.2-9.6 HB3 ARG 19 - HG LEU 14 far 0 82 0 - 7.3-10.1 HB3 LYS 13 - HG LEU 14 far 0 98 0 - 7.9-8.0 HB2 LYS 12 - HG LEU 14 far 0 61 0 - 8.5-9.4 HB ILE 8 - HG LEU 14 far 0 100 0 - 8.8-9.6 HB3 LYS 12 - HG LEU 14 far 0 65 0 - 8.9-9.4 HB2 LYS 20 - HG LEU 14 far 0 98 0 - 9.7-11.2 HB3 LYS 20 - HG LEU 14 far 0 73 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 614 from cnoeabs.peaks (1.35, 1.35, 28.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + HG LEU 14 OK 100 100 - 100 Peak 615 from cnoeabs.peaks (0.68, 1.35, 28.11 ppm; 3.30 A): 2 out of 8 assignments used, quality = 1.00: * QD1 LEU 14 + HG LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 14 + HG LEU 14 OK 75 75 100 100 2.1-2.1 2.1=100 QD2 LEU 29 - HG LEU 14 far 0 68 0 - 4.9-6.9 QD1 LEU 29 - HG LEU 14 far 0 87 0 - 5.6-6.9 QD1 ILE 8 - HG LEU 14 far 0 73 0 - 8.1-9.9 QG2 VAL 58 - HG LEU 14 far 0 100 0 - 8.2-9.1 QD2 LEU 6 - HG LEU 14 far 0 99 0 - 9.7-10.8 QD1 ILE 56 - HG LEU 14 far 0 77 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 616 from cnoeabs.peaks (0.71, 1.35, 28.11 ppm; 3.16 A): 2 out of 9 assignments used, quality = 1.00: * QD2 LEU 14 + HG LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 14 + HG LEU 14 OK 75 75 100 100 2.1-2.1 2.1=100 QG1 VAL 5 - HG LEU 14 far 0 94 0 - 6.7-7.2 HG13 ILE 93 - HG LEU 14 far 0 68 0 - 7.2-8.8 QG1 VAL 58 - HG LEU 14 far 0 98 0 - 8.0-9.0 QD1 ILE 8 - HG LEU 14 far 0 100 0 - 8.1-9.9 QG2 VAL 58 - HG LEU 14 far 0 71 0 - 8.2-9.1 QD2 LEU 6 - HG LEU 14 far 0 90 0 - 9.7-10.8 QD1 ILE 56 - HG LEU 14 far 0 100 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 617 from cnoeabs.peaks (8.07, 1.35, 28.11 ppm; 4.74 A): 3 out of 4 assignments used, quality = 1.00: * H ILE 15 + HG LEU 14 OK 100 100 100 100 3.0-4.0 6211/3.0=82, 3.6/611=75...(22) H GLU 17 + HG LEU 14 OK 85 99 100 86 4.9-5.8 6245/611=34...(13) H LYS 90 + HG LEU 14 OK 73 81 100 91 4.1-5.8 9950/8407=40...(16) H LYS 13 - HG LEU 14 far 0 100 0 - 6.8-7.3 Violated in 0 structures by 0.00 A. Peak 618 from cnoeabs.peaks (7.55, 0.68, 25.64 ppm; 4.10 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 14 + QD1 LEU 14 OK 100 100 100 100 4.3-4.4 626/2.1=71, 6200/2.1=69...(31) H GLU 88 + QD1 LEU 14 OK 91 93 100 98 4.3-4.7 7400/8402=48, 8602=37...(21) H LEU 38 + QD1 LEU 42 OK 57 84 75 90 4.6-5.9 6596/8947=33...(19) H ILE 76 + QD1 LEU 42 OK 52 95 65 84 4.9-6.0 7256/9667=51...(12) Violated in 0 structures by 0.00 A. Peak 619 from cnoeabs.peaks (3.68, 0.68, 25.64 ppm; 3.47 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 14 + QD1 LEU 14 OK 100 100 100 100 3.0-3.7 4.0=65, 611/2.1=61...(35) HA LEU 42 + QD1 LEU 42 OK 83 83 100 100 3.9-4.0 4.0=64, 1944/2.1=58...(22) HA GLU 88 - QD1 LEU 14 far 0 88 0 - 5.6-6.0 HA LYS 90 - QD1 LEU 14 far 0 98 0 - 5.8-6.4 HA GLU 37 - QD1 LEU 42 far 0 77 0 - 6.5-7.5 HB THR 80 - QD1 LEU 42 far 0 96 0 - 7.3-8.5 HB THR 80 - QD1 LEU 14 far 0 100 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 620 from cnoeabs.peaks (1.52, 0.68, 25.64 ppm; 3.24 A): 1 out of 20 assignments used, quality = 1.00: * HB2 LEU 14 + QD1 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 HG LEU 57 - QD1 LEU 14 poor 20 91 35 63 4.4-5.2 3.0/12012=10, 3.0/1937=9...(19) HG12 ILE 56 - QD1 LEU 42 poor 7 95 25 29 4.0-6.5 ~10678=8, ~1932=5...(10) HG LEU 6 - QD1 LEU 42 far 5 96 5 - 4.7-6.6 HG3 LYS 13 - QD1 LEU 14 far 0 85 0 - 5.0-6.5 HB ILE 7 - QD1 LEU 14 far 0 100 0 - 5.4-6.2 HG2 LYS 73 - QD1 LEU 42 far 0 71 0 - 5.8-7.9 HG3 LYS 66 - QD1 LEU 42 far 0 72 0 - 6.3-9.7 HB2 ARG 91 - QD1 LEU 14 far 0 65 0 - 6.9-8.3 HG2 LYS 66 - QD1 LEU 42 far 0 69 0 - 7.5-9.9 HB3 LEU 64 - QD1 LEU 14 far 0 73 0 - 8.4-9.4 HG3 ARG 79 - QD1 LEU 42 far 0 92 0 - 8.5-11.2 HB3 LEU 64 - QD1 LEU 42 far 0 67 0 - 8.9-10.8 HG2 ARG 79 - QD1 LEU 42 far 0 93 0 - 9.0-11.4 HG2 LYS 47 - QD1 LEU 42 far 0 69 0 - 9.1-12.1 HD3 LYS 53 - QD1 LEU 42 far 0 71 0 - 9.1-12.7 HG3 LYS 33 - QD1 LEU 42 far 0 88 0 - 9.4-10.9 HG3 ARG 30 - QD1 LEU 42 far 0 95 0 - 9.4-10.5 HG LEU 6 - QD1 LEU 14 far 0 100 0 - 10.0-11.5 HB3 LEU 103 - QD1 LEU 14 far 0 100 0 - 10.0-17.7 Violated in 0 structures by 0.00 A. Peak 621 from cnoeabs.peaks (1.90, 0.68, 25.64 ppm; 3.19 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.6-3.0 3.1=100 HG LEU 42 + QD1 LEU 42 OK 96 96 100 100 2.1-2.1 2.1=100 HB3 LYS 39 + QD1 LEU 42 OK 50 52 100 96 3.3-4.5 3.0/10570=50...(24) HB2 GLU 17 - QD1 LEU 14 far 3 59 5 - 4.6-6.8 HB VAL 54 - QD1 LEU 42 far 0 89 0 - 4.8-6.5 HB2 GLU 43 - QD1 LEU 42 far 0 96 0 - 5.9-7.0 HB2 LYS 13 - QD1 LEU 14 far 0 97 0 - 6.2-6.4 HB VAL 32 - QD1 LEU 42 far 0 56 0 - 6.6-8.1 HB ILE 8 - QD1 LEU 14 far 0 100 0 - 6.7-7.3 HB3 LYS 68 - QD1 LEU 42 far 0 69 0 - 6.8-7.5 HB3 LYS 13 - QD1 LEU 14 far 0 98 0 - 7.2-7.3 HB3 ARG 19 - QD1 LEU 14 far 0 82 0 - 7.8-10.4 HB2 ARG 19 - QD1 LEU 14 far 0 99 0 - 8.0-10.0 HB ILE 8 - QD1 LEU 42 far 0 95 0 - 8.3-10.2 HB3 LYS 12 - QD1 LEU 14 far 0 65 0 - 8.5-8.9 HB2 LYS 12 - QD1 LEU 14 far 0 61 0 - 8.7-8.9 HB VAL 32 - QD1 LEU 14 far 0 61 0 - 9.4-10.6 HB2 LYS 20 - QD1 LEU 14 far 0 98 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 622 from cnoeabs.peaks (1.35, 0.68, 25.64 ppm; 2.77 A): 4 out of 14 assignments used, quality = 1.00: * HG LEU 14 + QD1 LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 89 + QD1 LEU 14 OK 92 99 100 93 1.7-1.9 10971/8411=28...(29) HB2 LEU 70 + QD1 LEU 42 OK 75 87 100 86 2.0-3.4 1.8/9544=41, 9543=35...(16) QB ALA 67 + QD1 LEU 42 OK 28 92 100 30 2.8-4.2 2.1/10597=5, 9527=5...(12) HG2 LYS 39 - QD1 LEU 42 far 14 96 15 - 3.4-5.4 HG3 LYS 68 - QD1 LEU 42 far 0 97 0 - 6.9-8.4 HG12 ILE 8 - QD1 LEU 42 far 0 92 0 - 7.2-8.6 HG3 LYS 40 - QD1 LEU 42 far 0 95 0 - 7.3-8.3 HG12 ILE 8 - QD1 LEU 14 far 0 98 0 - 7.4-8.4 HB3 ARG 30 - QD1 LEU 42 far 0 84 0 - 7.5-8.6 HB2 LYS 82 - QD1 LEU 14 far 0 100 0 - 8.2-8.9 QB ALA 67 - QD1 LEU 14 far 0 98 0 - 8.9-10.1 HG3 LYS 94 - QD1 LEU 14 far 0 75 0 - 9.4-12.5 QB ALA 25 - QD1 LEU 14 far 0 99 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 623 from cnoeabs.peaks (0.68, 0.68, 25.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 14 + QD1 LEU 14 OK 100 100 - 100 QD1 LEU 42 + QD1 LEU 42 OK 94 94 - 100 Peak 624 from cnoeabs.peaks (0.71, 0.68, 25.64 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QD1 LEU 42 + QD1 LEU 42 OK 86 86 - 100 QD1 LEU 14 + QD1 LEU 14 OK 75 75 - 100 Reference assignment not found: QD2 LEU 14 - QD1 LEU 14 Peak 625 from cnoeabs.peaks (8.07, 0.68, 25.64 ppm; 4.08 A): 3 out of 6 assignments used, quality = 1.00: * H ILE 15 + QD1 LEU 14 OK 100 100 100 100 4.3-4.5 6211/3.1=63, 4.9=56...(27) H LYS 39 + QD1 LEU 42 OK 94 95 100 100 3.1-4.0 3.0/8953=54...(27) H LYS 90 + QD1 LEU 14 OK 76 81 100 94 3.8-4.5 7408/8402=41...(21) H GLU 75 - QD1 LEU 42 far 10 96 10 - 5.4-6.5 H GLU 17 - QD1 LEU 14 far 5 99 5 - 5.3-6.6 H LYS 13 - QD1 LEU 14 far 0 100 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 626 from cnoeabs.peaks (7.55, 0.71, 24.35 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 14 + QD2 LEU 14 OK 100 100 100 100 3.3-3.7 6200/2.1=69, 594/3.1=68...(36) H LEU 38 - QD2 LEU 6 far 3 60 5 - 5.4-8.3 H GLU 88 - QD2 LEU 14 far 0 93 0 - 6.9-7.2 H ILE 76 - QD2 LEU 6 far 0 71 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 627 from cnoeabs.peaks (3.68, 0.71, 24.35 ppm; 4.04 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 14 + QD2 LEU 14 OK 100 100 100 100 3.6-4.0 4.0=100 HA LEU 42 + QD2 LEU 6 OK 30 59 90 56 4.2-5.6 1903=15, 14683/8208=11...(12) HA GLU 37 - QD2 LEU 6 far 0 54 0 - 6.3-9.1 HA LYS 90 - QD2 LEU 14 far 0 98 0 - 6.3-7.7 HA GLU 88 - QD2 LEU 14 far 0 88 0 - 7.9-8.3 HB THR 80 - QD2 LEU 6 far 0 72 0 - 8.4-10.2 HA LYS 90 - QD2 LEU 6 far 0 67 0 - 9.6-11.5 HB THR 80 - QD2 LEU 14 far 0 100 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 628 from cnoeabs.peaks (1.52, 0.71, 24.35 ppm; 3.13 A): 4 out of 25 assignments used, quality = 1.00: * HB2 LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.9-3.1 3.1=100 HB ILE 7 + QD2 LEU 14 OK 87 100 100 87 4.0-4.4 600=23, 2.9/10273=20...(23) HG LEU 6 + QD2 LEU 6 OK 72 72 100 100 2.1-2.1 2.1=100 HG3 ARG 30 + QD2 LEU 6 OK 56 71 95 83 3.1-6.0 3.0/8722=26, 2.9/8717=22...(20) HG12 ILE 56 - QD2 LEU 6 poor 14 70 20 - 3.0-6.0 HG LEU 57 - QD2 LEU 14 far 0 91 0 - 4.7-6.2 HB ILE 7 - QD2 LEU 6 far 0 72 0 - 5.1-6.4 HG3 LYS 13 - QD2 LEU 14 far 0 85 0 - 5.2-6.3 HG LEU 57 - QD2 LEU 6 far 0 60 0 - 7.5-8.3 HG3 LYS 33 - QD2 LEU 6 far 0 63 0 - 7.6-9.5 HG2 ARG 79 - QD2 LEU 6 far 0 68 0 - 7.7-11.2 HG3 ARG 79 - QD2 LEU 6 far 0 67 0 - 7.8-10.9 HB2 LEU 3 - QD2 LEU 6 far 0 47 0 - 7.8-10.0 HG LEU 6 - QD2 LEU 14 far 0 100 0 - 8.5-10.3 HB3 LEU 64 - QD2 LEU 14 far 0 73 0 - 8.6-9.7 HB2 ARG 91 - QD2 LEU 14 far 0 65 0 - 9.0-10.4 HB3 LEU 64 - QD2 LEU 6 far 0 46 0 - 9.0-11.7 HG2 LYS 33 - QD2 LEU 6 far 0 54 0 - 9.1-10.8 HG LEU 2 - QD2 LEU 6 far 0 71 0 - 9.1-11.7 HG12 ILE 56 - QD2 LEU 14 far 0 99 0 - 9.6-11.0 HG3 LYS 33 - QD2 LEU 14 far 0 94 0 - 9.6-10.9 HD3 LYS 53 - QD2 LEU 6 far 0 49 0 - 9.7-11.9 HG3 LYS 66 - QD2 LEU 6 far 0 50 0 - 9.8-13.0 HG2 LYS 47 - QD2 LEU 6 far 0 47 0 - 9.8-14.0 HG3 ARG 30 - QD2 LEU 14 far 0 99 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 629 from cnoeabs.peaks (1.90, 0.71, 24.35 ppm; 3.28 A): 1 out of 24 assignments used, quality = 1.00: * HB3 LEU 14 + QD2 LEU 14 OK 100 100 100 100 1.9-2.1 3.1=100 HG LEU 42 - QD2 LEU 6 poor 18 71 25 - 3.3-6.5 HB VAL 54 - QD2 LEU 6 far 6 64 10 - 4.6-6.3 HB VAL 32 - QD2 LEU 6 far 2 37 5 - 4.7-6.9 HB2 GLU 17 - QD2 LEU 14 far 0 59 0 - 5.1-7.5 HB ILE 8 - QD2 LEU 14 far 0 100 0 - 5.7-6.4 HB2 LYS 13 - QD2 LEU 14 far 0 97 0 - 6.1-6.6 HB2 ARG 19 - QD2 LEU 14 far 0 99 0 - 6.3-8.9 HB2 LYS 12 - QD2 LEU 14 far 0 61 0 - 6.5-7.0 HB3 LYS 13 - QD2 LEU 14 far 0 98 0 - 6.6-6.9 HB3 LYS 12 - QD2 LEU 14 far 0 65 0 - 6.6-7.1 HB ILE 8 - QD2 LEU 6 far 0 71 0 - 7.0-8.3 HB3 ARG 19 - QD2 LEU 6 far 0 53 0 - 7.0-10.9 HB3 ARG 19 - QD2 LEU 14 far 0 82 0 - 7.6-8.5 HB2 ARG 19 - QD2 LEU 6 far 0 69 0 - 7.7-10.6 HB VAL 32 - QD2 LEU 14 far 0 61 0 - 7.7-8.8 HB3 LYS 39 - QD2 LEU 6 far 0 34 0 - 8.2-10.1 HB3 LYS 68 - QD2 LEU 6 far 0 47 0 - 8.9-12.0 HB2 GLU 43 - QD2 LEU 6 far 0 72 0 - 9.0-10.4 HB3 LYS 33 - QD2 LEU 6 far 0 67 0 - 9.1-11.1 HB2 LYS 33 - QD2 LEU 14 far 0 96 0 - 9.4-10.6 HB2 LYS 20 - QD2 LEU 14 far 0 98 0 - 9.4-10.5 HB2 LYS 33 - QD2 LEU 6 far 0 66 0 - 9.5-11.1 HB3 LYS 20 - QD2 LEU 14 far 0 73 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 630 from cnoeabs.peaks (1.35, 0.71, 24.35 ppm; 2.79 A): 3 out of 17 assignments used, quality = 1.00: * HG LEU 14 + QD2 LEU 14 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 89 + QD2 LEU 14 OK 89 99 100 91 2.8-3.5 9931/10403=24...(26) HB3 ARG 30 + QD2 LEU 6 OK 46 60 100 77 1.8-4.3 1.8/8717=20, 3.6/8722=17...(19) QB ALA 67 - QD2 LEU 6 far 3 67 5 - 3.9-6.6 HG12 ILE 8 - QD2 LEU 6 far 0 67 0 - 5.0-6.4 HG12 ILE 8 - QD2 LEU 14 far 0 98 0 - 6.0-6.9 HB3 LEU 27 - QD2 LEU 6 far 0 71 0 - 6.3-8.7 HB2 LEU 70 - QD2 LEU 6 far 0 62 0 - 6.9-9.4 QB ALA 89 - QD2 LEU 6 far 0 69 0 - 7.6-8.5 HG3 LYS 40 - QD2 LEU 6 far 0 70 0 - 8.1-9.9 QB ALA 67 - QD2 LEU 14 far 0 98 0 - 8.4-9.5 HG2 LYS 39 - QD2 LEU 6 far 0 72 0 - 8.7-10.8 QB ALA 25 - QD2 LEU 6 far 0 69 0 - 8.7-10.5 HB2 LYS 82 - QD2 LEU 14 far 0 100 0 - 8.9-9.8 HB3 LEU 2 - QD2 LEU 6 far 0 64 0 - 8.9-11.2 HB3 ARG 30 - QD2 LEU 14 far 0 91 0 - 8.9-9.7 HG LEU 14 - QD2 LEU 6 far 0 72 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 631 from cnoeabs.peaks (0.68, 0.71, 24.35 ppm; diagonal): 2 out of 2 assignments used, quality = 0.93: QD2 LEU 14 + QD2 LEU 14 OK 75 75 - 100 QD2 LEU 6 + QD2 LEU 6 OK 70 70 - 100 Reference assignment not found: QD1 LEU 14 - QD2 LEU 14 Peak 632 from cnoeabs.peaks (0.71, 0.71, 24.35 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 14 + QD2 LEU 14 OK 100 100 - 100 QD2 LEU 6 + QD2 LEU 6 OK 59 59 - 100 Peak 633 from cnoeabs.peaks (8.07, 0.71, 24.35 ppm; 3.82 A): 2 out of 5 assignments used, quality = 1.00: * H ILE 15 + QD2 LEU 14 OK 100 100 100 100 2.1-2.9 6215=57, 6211/3.1=56...(31) H LYS 13 + QD2 LEU 14 OK 55 100 60 92 5.1-5.6 6182/626=51, 8389/4.0=29...(15) H GLU 17 - QD2 LEU 14 poor 19 99 25 77 5.2-6.0 6247/8413=22...(16) H LYS 90 - QD2 LEU 14 far 0 81 0 - 5.3-6.3 H LYS 39 - QD2 LEU 6 far 0 70 0 - 6.2-8.6 Violated in 0 structures by 0.00 A. Peak 634 from cnoeabs.peaks (8.07, 3.26, 65.94 ppm; 3.66 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 15 + HA ILE 15 OK 100 100 100 100 2.7-2.8 3.0=100 H GLU 17 + HA ILE 15 OK 84 99 90 94 4.7-5.2 6247=47, 6259/6263=42...(13) H LYS 13 - HA ILE 15 far 0 100 0 - 6.8-7.0 H LYS 90 - HA ILE 15 far 0 81 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 635 from cnoeabs.peaks (3.26, 3.26, 65.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HA ILE 15 OK 100 100 - 100 Peak 636 from cnoeabs.peaks (1.73, 3.26, 65.94 ppm; 3.60 A): 3 out of 12 assignments used, quality = 1.00: * HB ILE 15 + HA ILE 15 OK 100 100 100 100 3.0-3.0 3.0=100 HG12 ILE 15 + HA ILE 15 OK 65 65 100 100 2.1-2.3 4.1=70, 1.8/670=66...(37) HG3 ARG 19 + HA ILE 15 OK 42 75 70 80 4.1-7.7 6288/6277=26...(15) HD2 LYS 12 - HA ILE 15 far 0 79 0 - 6.2-7.6 HD2 LYS 90 - HA ILE 15 far 0 99 0 - 6.8-10.5 HD2 LYS 13 - HA ILE 15 far 0 79 0 - 6.9-9.3 HD3 LYS 13 - HA ILE 15 far 0 82 0 - 7.0-9.4 HD3 LYS 90 - HA ILE 15 far 0 71 0 - 7.5-11.0 HD3 LYS 12 - HA ILE 15 far 0 79 0 - 7.5-9.1 HG2 PRO 86 - HA ILE 15 far 0 63 0 - 8.5-9.3 HD3 LYS 33 - HA ILE 15 far 0 100 0 - 9.1-10.4 HD2 LYS 33 - HA ILE 15 far 0 100 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 637 from cnoeabs.peaks (0.81, 3.26, 65.94 ppm; 3.07 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + HA ILE 15 OK 100 100 100 100 2.4-2.6 3.2=88, 3.0/678=39...(41) QG2 ILE 7 + HA ILE 15 OK 93 99 100 95 2.1-2.8 3.0/8261=35, 8283/643=26...(28) QD2 LEU 57 - HA ILE 15 far 0 97 0 - 6.1-7.8 QD1 LEU 57 - HA ILE 15 far 0 94 0 - 7.1-8.5 QG2 VAL 32 - HA ILE 15 far 0 90 0 - 7.5-8.4 QG2 ILE 8 - HA ILE 15 far 0 88 0 - 7.8-8.5 QD1 LEU 6 - HA ILE 15 far 0 59 0 - 7.9-9.7 QD2 LEU 38 - HA ILE 15 far 0 98 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 638 from cnoeabs.peaks (1.69, 3.26, 65.94 ppm; 3.64 A): 2 out of 13 assignments used, quality = 1.00: * HG12 ILE 15 + HA ILE 15 OK 100 100 100 100 2.1-2.3 4.1=72, 1.8/670=68...(36) HB ILE 15 + HA ILE 15 OK 65 65 100 100 3.0-3.0 3.0=100 HD2 LYS 12 - HA ILE 15 far 0 100 0 - 6.2-7.6 HD2 LYS 13 - HA ILE 15 far 0 100 0 - 6.9-9.3 HD3 LYS 13 - HA ILE 15 far 0 99 0 - 7.0-9.4 HD2 LYS 20 - HA ILE 15 far 0 96 0 - 7.5-9.5 HD3 LYS 90 - HA ILE 15 far 0 100 0 - 7.5-11.0 HG3 LYS 20 - HA ILE 15 far 0 93 0 - 7.5-9.3 HD3 LYS 12 - HA ILE 15 far 0 100 0 - 7.5-9.1 HD3 LYS 20 - HA ILE 15 far 0 93 0 - 7.6-9.8 HG2 PRO 86 - HA ILE 15 far 0 100 0 - 8.5-9.3 HD3 LYS 33 - HA ILE 15 far 0 75 0 - 9.1-10.4 HD2 LYS 33 - HA ILE 15 far 0 75 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 639 from cnoeabs.peaks (0.75, 3.26, 65.94 ppm; 3.16 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 15 + HA ILE 15 OK 100 100 100 100 3.0-3.4 670=56, 2.1/678=51...(37) QD1 ILE 15 + HA ILE 15 OK 100 100 100 100 3.5-3.7 678=65, 2.1/670=47...(34) QD1 ILE 93 - HA ILE 15 far 0 96 0 - 5.2-6.3 QG1 VAL 5 - HA ILE 15 far 0 81 0 - 6.3-6.8 HG13 ILE 93 - HA ILE 15 far 0 99 0 - 7.8-9.4 QG2 ILE 8 - HA ILE 15 far 0 73 0 - 7.8-8.5 QD1 LEU 6 - HA ILE 15 far 0 96 0 - 7.9-9.7 QG1 VAL 58 - HA ILE 15 far 0 70 0 - 8.0-9.0 QG2 ILE 93 - HA ILE 15 far 0 100 0 - 8.0-9.2 QD1 LEU 27 - HA ILE 15 far 0 97 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 640 from cnoeabs.peaks (0.76, 3.26, 65.94 ppm; 3.16 A): 3 out of 12 assignments used, quality = 1.00: * QD1 ILE 15 + HA ILE 15 OK 100 100 100 100 3.5-3.7 678=65, 2.1/670=47...(34) HG13 ILE 15 + HA ILE 15 OK 100 100 100 100 3.0-3.4 670=56, 2.1/678=51...(38) QG2 ILE 7 + HA ILE 15 OK 50 59 100 85 2.1-2.8 3.0/8261=38, 8283/643=14...(25) QD1 ILE 93 - HA ILE 15 far 0 99 0 - 5.2-6.3 QD2 LEU 57 - HA ILE 15 far 0 65 0 - 6.1-7.8 QG1 VAL 5 - HA ILE 15 far 0 71 0 - 6.3-6.8 HG13 ILE 93 - HA ILE 15 far 0 96 0 - 7.8-9.4 QG2 ILE 8 - HA ILE 15 far 0 82 0 - 7.8-8.5 QD1 LEU 6 - HA ILE 15 far 0 99 0 - 7.9-9.7 QG1 VAL 58 - HA ILE 15 far 0 59 0 - 8.0-9.0 QG2 ILE 93 - HA ILE 15 far 0 99 0 - 8.0-9.2 QD1 LEU 27 - HA ILE 15 far 0 99 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 641 from cnoeabs.peaks (8.02, 3.26, 65.94 ppm; 4.28 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 16 + HA ILE 15 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 90 - HA ILE 15 far 0 77 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 642 from cnoeabs.peaks (8.65, 3.26, 65.94 ppm; 4.34 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 18 + HA ILE 15 OK 100 100 100 100 3.6-4.0 6263=100, 2.9/643=80...(30) H ASP 11 - HA ILE 15 far 0 94 0 - 6.4-7.3 H ASN 10 - HA ILE 15 far 0 97 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 643 from cnoeabs.peaks (1.23, 3.26, 65.94 ppm; 3.43 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 18 + HA ILE 15 OK 100 100 100 100 2.3-3.0 772=94, 2.9/6263=40...(28) HB2 LEU 57 - HA ILE 15 far 0 73 0 - 6.1-8.0 Violated in 0 structures by 0.00 A. Peak 644 from cnoeabs.peaks (3.85, 1.73, 37.98 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.99: * HA LYS 12 + HB ILE 15 OK 99 100 100 99 2.1-2.6 10121/2.1=56...(21) Violated in 0 structures by 0.00 A. Peak 645 from cnoeabs.peaks (8.07, 1.73, 37.98 ppm; 3.43 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 15 + HB ILE 15 OK 99 100 100 99 2.3-2.6 4.0=65, 669/2.9=47...(22) H LYS 13 + HB ILE 15 OK 52 100 70 74 4.8-5.2 3.6/644=43, 8383/3.2=28...(7) H GLU 17 - HB ILE 15 far 0 99 0 - 5.2-5.5 H LYS 90 - HB ILE 15 far 0 81 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 646 from cnoeabs.peaks (3.26, 1.73, 37.98 ppm; 4.21 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 647 from cnoeabs.peaks (1.73, 1.73, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + HB ILE 15 OK 100 100 - 100 Peak 648 from cnoeabs.peaks (0.81, 1.73, 37.98 ppm; 3.06 A): 2 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 7 + HB ILE 15 OK 95 99 100 96 3.5-4.0 680/3.2=26, 672/2.9=25...(37) QG2 ILE 8 - HB ILE 15 far 0 88 0 - 8.2-9.0 QD2 LEU 57 - HB ILE 15 far 0 97 0 - 8.5-10.2 QG2 VAL 32 - HB ILE 15 far 0 90 0 - 8.6-9.0 QD1 LEU 6 - HB ILE 15 far 0 59 0 - 9.2-11.2 QD1 LEU 57 - HB ILE 15 far 0 94 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 649 from cnoeabs.peaks (1.69, 1.73, 37.98 ppm; diagonal): 1 out of 1 assignment used, quality = 0.65: HB ILE 15 + HB ILE 15 OK 65 65 - 100 Reference assignment not found: HG12 ILE 15 - HB ILE 15 Peak 650 from cnoeabs.peaks (0.75, 1.73, 37.98 ppm; 3.05 A): 2 out of 7 assignments used, quality = 1.00: * HG13 ILE 15 + HB ILE 15 OK 100 100 100 100 2.7-2.9 2.9=100 QD1 ILE 15 + HB ILE 15 OK 100 100 100 100 2.0-2.1 3.2=84, 680/2.1=41...(33) QD1 ILE 93 - HB ILE 15 far 0 96 0 - 7.6-8.8 QG2 ILE 8 - HB ILE 15 far 0 73 0 - 8.2-9.0 QG1 VAL 5 - HB ILE 15 far 0 81 0 - 8.6-9.2 QD1 LEU 6 - HB ILE 15 far 0 96 0 - 9.2-11.2 QG1 VAL 58 - HB ILE 15 far 0 70 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 651 from cnoeabs.peaks (0.76, 1.73, 37.98 ppm; 3.05 A): 3 out of 9 assignments used, quality = 1.00: HG13 ILE 15 + HB ILE 15 OK 100 100 100 100 2.7-2.9 2.9=100 * QD1 ILE 15 + HB ILE 15 OK 100 100 100 100 2.0-2.1 3.2=84, 680/2.1=41...(33) QG2 ILE 7 + HB ILE 15 OK 54 59 100 91 3.5-4.0 ~8464=13, ~8261=13...(36) QD1 ILE 93 - HB ILE 15 far 0 99 0 - 7.6-8.8 QG2 ILE 8 - HB ILE 15 far 0 82 0 - 8.2-9.0 QD2 LEU 57 - HB ILE 15 far 0 65 0 - 8.5-10.2 QG1 VAL 5 - HB ILE 15 far 0 71 0 - 8.6-9.2 QD1 LEU 6 - HB ILE 15 far 0 99 0 - 9.2-11.2 QG1 VAL 58 - HB ILE 15 far 0 59 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 652 from cnoeabs.peaks (8.02, 1.73, 37.98 ppm; 3.66 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 16 + HB ILE 15 OK 99 100 100 99 2.5-2.8 6231=64, 660/2.1=63...(16) H LYS 90 - HB ILE 15 far 0 77 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 653 from cnoeabs.peaks (8.07, 0.81, 17.32 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * H ILE 15 + QG2 ILE 15 OK 100 100 100 100 3.7-3.8 4.0=83, 6217/2.1=53...(23) H GLU 17 + QG2 ILE 15 OK 78 99 90 88 4.8-5.3 3.6/8530=46, 4.6/660=36...(11) H LYS 13 - QG2 ILE 15 far 0 100 0 - 5.9-6.4 H LYS 39 - QG2 ILE 8 far 0 68 0 - 7.5-8.7 H LYS 90 - QG2 ILE 15 far 0 81 0 - 8.0-8.9 H ILE 15 - QG2 ILE 8 far 0 70 0 - 8.5-9.0 Violated in 0 structures by 0.00 A. Peak 654 from cnoeabs.peaks (3.26, 0.81, 17.32 ppm; 3.25 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.4-2.6 3.2=100 HA ILE 15 - QG2 ILE 8 far 0 70 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 655 from cnoeabs.peaks (1.73, 0.81, 17.32 ppm; 2.90 A): 4 out of 24 assignments used, quality = 1.00: * HB ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 HG12 ILE 15 + QG2 ILE 15 OK 65 65 100 99 2.8-3.0 3.2=75, 2.1/680=38...(26) HG3 ARG 19 + QG2 ILE 15 OK 44 75 80 73 2.1-5.8 3.0/8516=17...(11) HD2 LYS 12 + QG2 ILE 15 OK 41 79 80 66 3.6-4.6 3.0/10394=19...(13) HD3 LYS 33 - QG2 ILE 8 far 3 70 5 - 4.2-6.0 HD2 LYS 33 - QG2 ILE 8 far 3 70 5 - 4.3-6.7 HD3 LYS 12 - QG2 ILE 15 far 0 79 0 - 4.9-5.9 HB2 LYS 66 - QG2 ILE 8 far 0 37 0 - 5.2-6.3 HD3 LYS 33 - QG2 ILE 15 far 0 100 0 - 6.0-6.9 HD2 LYS 33 - QG2 ILE 15 far 0 100 0 - 6.1-7.2 HG12 ILE 15 - QG2 ILE 8 far 0 39 0 - 6.4-7.0 HB ILE 56 - QG2 ILE 8 far 0 42 0 - 6.7-7.8 HD3 LYS 66 - QG2 ILE 8 far 0 50 0 - 6.9-8.4 HD2 LYS 13 - QG2 ILE 15 far 0 79 0 - 7.4-9.1 HD3 LYS 13 - QG2 ILE 15 far 0 82 0 - 7.5-8.9 HG LEU 70 - QG2 ILE 8 far 0 46 0 - 7.6-8.7 HD2 LYS 90 - QG2 ILE 15 far 0 99 0 - 8.0-10.8 HB ILE 15 - QG2 ILE 8 far 0 70 0 - 8.2-9.0 HD3 LYS 90 - QG2 ILE 15 far 0 71 0 - 8.3-11.3 HB3 LYS 82 - QG2 ILE 8 far 0 40 0 - 8.3-9.7 HG2 PRO 86 - QG2 ILE 15 far 0 63 0 - 9.1-9.9 HB3 LEU 70 - QG2 ILE 8 far 0 65 0 - 9.4-10.7 HD2 LYS 12 - QG2 ILE 8 far 0 48 0 - 9.4-11.4 HD3 LYS 12 - QG2 ILE 8 far 0 48 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 656 from cnoeabs.peaks (0.81, 0.81, 17.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 15 + QG2 ILE 15 OK 100 100 - 100 QG2 ILE 8 + QG2 ILE 8 OK 56 56 - 100 Peak 657 from cnoeabs.peaks (1.69, 0.81, 17.32 ppm; 3.18 A): 3 out of 24 assignments used, quality = 1.00: * HG12 ILE 15 + QG2 ILE 15 OK 100 100 100 100 2.8-3.0 3.2=99, 2.1/680=43...(31) HD2 LYS 12 + QG2 ILE 15 OK 79 100 100 79 3.6-4.6 3.0/10394=24...(13) HB ILE 15 + QG2 ILE 15 OK 65 65 100 100 2.1-2.1 2.1=100 HD2 LYS 33 - QG2 ILE 8 poor 9 46 20 - 4.3-6.7 HD3 LYS 33 - QG2 ILE 8 far 7 46 15 - 4.2-6.0 HD3 LYS 12 - QG2 ILE 15 far 0 100 0 - 4.9-5.9 HD3 LYS 33 - QG2 ILE 15 far 0 75 0 - 6.0-6.9 HD2 LYS 33 - QG2 ILE 15 far 0 75 0 - 6.1-7.2 HD2 LYS 20 - QG2 ILE 15 far 0 96 0 - 6.2-8.2 HG12 ILE 15 - QG2 ILE 8 far 0 70 0 - 6.4-7.0 HD3 LYS 20 - QG2 ILE 15 far 0 93 0 - 6.5-8.8 HG3 LYS 20 - QG2 ILE 15 far 0 93 0 - 6.7-8.4 HD3 LYS 66 - QG2 ILE 8 far 0 69 0 - 6.9-8.4 HD2 LYS 13 - QG2 ILE 15 far 0 100 0 - 7.4-9.1 HD3 LYS 13 - QG2 ILE 15 far 0 99 0 - 7.5-8.9 HG LEU 70 - QG2 ILE 8 far 0 70 0 - 7.6-8.7 HB ILE 15 - QG2 ILE 8 far 0 39 0 - 8.2-9.0 HD3 LYS 90 - QG2 ILE 15 far 0 100 0 - 8.3-11.3 HG2 PRO 86 - QG2 ILE 15 far 0 100 0 - 9.1-9.9 HB3 LEU 70 - QG2 ILE 8 far 0 57 0 - 9.4-10.7 HD2 LYS 12 - QG2 ILE 8 far 0 69 0 - 9.4-11.4 HD2 LYS 39 - QG2 ILE 8 far 0 35 0 - 9.5-11.4 HB3 LYS 40 - QG2 ILE 8 far 0 67 0 - 9.6-10.6 HD3 LYS 12 - QG2 ILE 8 far 0 69 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 658 from cnoeabs.peaks (0.75, 0.81, 17.32 ppm; 2.40 A): 3 out of 23 assignments used, quality = 1.00: QD1 ILE 15 + QG2 ILE 15 OK 95 100 100 95 2.7-3.0 680=52, 8467/10123=26...(28) * HG13 ILE 15 + QG2 ILE 15 OK 93 100 100 93 2.0-2.2 3.2=43, 2.1/680=27...(26) QG1 VAL 58 + QG2 ILE 8 OK 31 42 100 76 2.7-3.3 10224/2.1=13...(22) QD1 LEU 6 - QG2 ILE 8 far 0 63 0 - 5.3-7.1 QD1 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.4-5.9 QD1 ILE 93 - QG2 ILE 15 far 0 96 0 - 5.7-6.6 HG13 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.9-6.8 QG1 VAL 5 - QG2 ILE 15 far 0 81 0 - 6.1-6.7 QD1 LEU 6 - QG2 ILE 15 far 0 96 0 - 6.1-8.1 QG2 ILE 8 - QG2 ILE 15 far 0 73 0 - 6.4-7.3 QD1 LEU 64 - QG2 ILE 8 far 0 66 0 - 6.5-7.4 QD2 LEU 42 - QG2 ILE 8 far 0 66 0 - 7.0-8.4 QG1 VAL 58 - QG2 ILE 15 far 0 70 0 - 7.5-8.5 QG2 ILE 93 - QG2 ILE 15 far 0 100 0 - 7.8-8.8 HG13 ILE 93 - QG2 ILE 15 far 0 99 0 - 7.9-9.6 QG1 VAL 5 - QG2 ILE 8 far 0 50 0 - 7.9-8.6 QG2 VAL 78 - QG2 ILE 8 far 0 43 0 - 8.3-9.3 QG1 VAL 54 - QG2 ILE 8 far 0 69 0 - 8.4-9.1 QD1 LEU 27 - QG2 ILE 15 far 0 97 0 - 9.0-10.1 QG1 VAL 54 - QG2 ILE 15 far 0 100 0 - 9.2-10.1 QD1 ILE 93 - QG2 ILE 8 far 0 64 0 - 9.3-9.8 QG1 VAL 78 - QG2 ILE 8 far 0 68 0 - 9.5-10.2 QD2 LEU 42 - QG2 ILE 15 far 0 98 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 659 from cnoeabs.peaks (0.76, 0.81, 17.32 ppm; 2.40 A): 4 out of 27 assignments used, quality = 1.00: * QD1 ILE 15 + QG2 ILE 15 OK 95 100 100 95 2.7-3.0 680=52, 8467/10123=27...(28) HG13 ILE 15 + QG2 ILE 15 OK 93 100 100 93 2.0-2.2 3.2=43, 2.1/680=27...(26) QG2 ILE 7 + QG2 ILE 15 OK 39 59 100 66 1.9-2.5 2.1/244=15, 651/2.1=8...(24) QG1 VAL 58 + QG2 ILE 8 OK 25 35 100 73 2.7-3.3 4.2/9396=12...(21) QG2 ILE 7 - QG2 ILE 8 far 0 35 0 - 4.5-4.9 QD1 LEU 6 - QG2 ILE 8 far 0 67 0 - 5.3-7.1 QD1 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.4-5.9 QD1 ILE 93 - QG2 ILE 15 far 0 99 0 - 5.7-6.6 HG13 ILE 15 - QG2 ILE 8 far 0 70 0 - 5.9-6.8 QG1 VAL 5 - QG2 ILE 15 far 0 71 0 - 6.1-6.7 QD1 LEU 6 - QG2 ILE 15 far 0 99 0 - 6.1-8.1 QD2 LEU 57 - QG2 ILE 15 far 0 65 0 - 6.2-8.0 QG2 ILE 8 - QG2 ILE 15 far 0 82 0 - 6.4-7.3 QD1 LEU 64 - QG2 ILE 8 far 0 61 0 - 6.5-7.4 QD2 LEU 57 - QG2 ILE 8 far 0 39 0 - 6.7-7.5 QD2 LEU 42 - QG2 ILE 8 far 0 69 0 - 7.0-8.4 QG1 VAL 58 - QG2 ILE 15 far 0 59 0 - 7.5-8.5 QG2 ILE 93 - QG2 ILE 15 far 0 99 0 - 7.8-8.8 HG13 ILE 93 - QG2 ILE 15 far 0 96 0 - 7.9-9.6 QG1 VAL 5 - QG2 ILE 8 far 0 43 0 - 7.9-8.6 QG2 VAL 78 - QG2 ILE 8 far 0 36 0 - 8.3-9.3 QG1 VAL 54 - QG2 ILE 8 far 0 70 0 - 8.4-9.1 QD1 LEU 27 - QG2 ILE 15 far 0 99 0 - 9.0-10.1 QG1 VAL 54 - QG2 ILE 15 far 0 100 0 - 9.2-10.1 QD1 ILE 93 - QG2 ILE 8 far 0 67 0 - 9.3-9.8 QG1 VAL 78 - QG2 ILE 8 far 0 65 0 - 9.5-10.2 QD2 LEU 42 - QG2 ILE 15 far 0 100 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 660 from cnoeabs.peaks (8.02, 0.81, 17.32 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 16 + QG2 ILE 15 OK 100 100 100 100 2.9-3.6 652/2.1=74, 4.4=69...(25) H LYS 90 - QG2 ILE 15 far 0 77 0 - 8.0-8.9 Violated in 0 structures by 0.00 A. Peak 661 from cnoeabs.peaks (8.07, 1.69, 29.43 ppm; 3.53 A): 3 out of 23 assignments used, quality = 1.00: * H ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.5-2.9 669/1.8=63, 4.6=44...(25) H LYS 90 + HD3 LYS 90 OK 80 80 100 100 2.3-4.4 7422=49, 7419/2.9=42...(23) H GLU 17 + HD2 LYS 20 OK 52 71 95 78 3.4-5.4 6219=21, 6250/12058=14...(28) H GLU 17 - HD3 LYS 20 poor 19 65 40 71 3.4-6.1 6219/1.8=18, 425/2.8=10...(25) H LYS 13 - HD2 LYS 12 far 10 68 15 - 4.4-5.8 H GLU 17 - HD3 LYS 90 far 10 98 10 - 4.9-8.6 H LYS 13 - HD3 LYS 12 far 7 68 10 - 4.7-6.4 H ILE 15 - HD2 LYS 12 far 3 68 5 - 5.0-6.5 H LYS 90 - HB3 ARG 91 far 3 67 5 - 4.8-6.2 H GLU 17 - HD2 LYS 12 far 0 64 0 - 6.1-8.8 H ILE 15 - HD3 LYS 12 far 0 68 0 - 6.1-7.8 H LYS 13 - HG12 ILE 15 far 0 100 0 - 6.1-6.7 H GLU 17 - HD3 LYS 12 far 0 64 0 - 6.3-10.4 H GLU 17 - HG12 ILE 15 far 0 99 0 - 6.5-6.8 H ILE 15 - HD3 LYS 90 far 0 100 0 - 7.5-11.1 H LYS 90 - HD2 LYS 20 far 0 53 0 - 7.6-10.5 H ILE 15 - HD2 LYS 20 far 0 74 0 - 7.6-9.8 H ILE 15 - HD3 LYS 20 far 0 69 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 48 0 - 7.9-10.9 H LYS 90 - HG12 ILE 15 far 0 81 0 - 8.3-9.1 H LYS 13 - HD2 LYS 20 far 0 74 0 - 8.8-10.9 H LYS 13 - HD3 LYS 20 far 0 69 0 - 8.8-12.1 H LYS 13 - HD3 LYS 90 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 662 from cnoeabs.peaks (3.26, 1.69, 29.43 ppm; 4.31 A): 1 out of 6 assignments used, quality = 1.00: * HA ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.1-2.3 4.1=100 HA ILE 15 - HD2 LYS 12 far 0 68 0 - 6.2-7.6 HA ILE 15 - HD2 LYS 20 far 0 74 0 - 7.5-9.5 HA ILE 15 - HD3 LYS 90 far 0 100 0 - 7.5-11.0 HA ILE 15 - HD3 LYS 12 far 0 68 0 - 7.5-9.1 HA ILE 15 - HD3 LYS 20 far 0 69 0 - 7.6-9.8 Violated in 0 structures by 0.00 A. Peak 663 from cnoeabs.peaks (1.73, 1.69, 29.43 ppm; diagonal): 4 out of 4 assignments used, quality = 0.97: HD3 LYS 90 + HD3 LYS 90 OK 71 71 - 100 HG12 ILE 15 + HG12 ILE 15 OK 65 65 - 100 HD2 LYS 12 + HD2 LYS 12 OK 46 46 - 100 HD3 LYS 12 + HD3 LYS 12 OK 46 46 - 100 Reference assignment not found: HB ILE 15 - HG12 ILE 15 Peak 664 from cnoeabs.peaks (0.81, 1.69, 29.43 ppm; 3.16 A): 3 out of 31 assignments used, quality = 1.00: * QG2 ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.8-3.0 3.2=97, 680/2.1=43...(29) QG2 ILE 7 + HG12 ILE 15 OK 96 99 100 97 1.9-2.6 680/2.1=39, 672/1.8=36...(31) QG2 ILE 15 + HD2 LYS 12 OK 53 68 100 78 3.6-4.6 657=32, 10394/3.0=24...(12) QG2 ILE 15 - HD3 LYS 12 far 0 68 0 - 4.9-5.9 QD1 LEU 57 - HB3 ARG 91 far 0 81 0 - 5.7-8.1 QG2 ILE 15 - HD2 LYS 20 far 0 74 0 - 6.2-8.2 QG2 ILE 7 - HD2 LYS 12 far 0 64 0 - 6.3-7.1 QG2 ILE 8 - HG12 ILE 15 far 0 88 0 - 6.4-7.0 QD1 ILE 76 - HD3 LYS 47 far 0 87 0 - 6.5-8.9 QG2 ILE 15 - HD3 LYS 20 far 0 69 0 - 6.5-8.8 QD2 LEU 57 - HG12 ILE 15 far 0 97 0 - 6.6-8.3 QD1 LEU 57 - HD3 LYS 90 far 0 93 0 - 6.7-9.1 QG2 VAL 32 - HG12 ILE 15 far 0 90 0 - 6.7-7.6 QD1 ILE 76 - HD2 LYS 47 far 0 86 0 - 6.8-9.2 QD2 LEU 2 - HD3 LYS 47 far 0 90 0 - 6.8-12.7 QD2 LEU 103 - HB3 ARG 91 far 0 82 0 - 7.1-15.0 QG2 ILE 7 - HD3 LYS 12 far 0 64 0 - 7.1-8.3 QD1 LEU 57 - HG12 ILE 15 far 0 94 0 - 7.4-8.9 QD2 LEU 57 - HB3 ARG 91 far 0 85 0 - 7.4-9.0 QG2 ILE 52 - HD3 LYS 47 far 0 62 0 - 7.7-10.1 QD1 LEU 6 - HG12 ILE 15 far 0 59 0 - 7.7-9.8 QD2 LEU 57 - HD3 LYS 90 far 0 97 0 - 7.8-9.9 QD2 LEU 2 - HD2 LYS 47 far 0 88 0 - 8.1-13.4 QG2 ILE 15 - HD3 LYS 90 far 0 100 0 - 8.3-11.3 QG2 ILE 7 - HD2 LYS 20 far 0 71 0 - 8.4-10.2 QG2 ILE 7 - HD3 LYS 20 far 0 65 0 - 8.7-11.1 QG2 ILE 52 - HD2 LYS 47 far 0 60 0 - 8.7-10.0 QG2 ILE 7 - HD3 LYS 90 far 0 98 0 - 8.7-11.3 QD2 LEU 38 - HG12 ILE 15 far 0 98 0 - 9.3-11.2 QG2 ILE 8 - HD2 LYS 12 far 0 54 0 - 9.4-11.4 QG2 ILE 8 - HD3 LYS 12 far 0 54 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 665 from cnoeabs.peaks (1.69, 1.69, 29.43 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HG12 ILE 15 + HG12 ILE 15 OK 100 100 - 100 HD3 LYS 90 + HD3 LYS 90 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 87 87 - 100 HD3 LYS 47 + HD3 LYS 47 OK 86 86 - 100 HD2 LYS 47 + HD2 LYS 47 OK 83 83 - 100 HD2 LYS 20 + HD2 LYS 20 OK 67 67 - 100 HD2 LYS 12 + HD2 LYS 12 OK 66 66 - 100 HD3 LYS 12 + HD3 LYS 12 OK 66 66 - 100 HD3 LYS 20 + HD3 LYS 20 OK 59 59 - 100 Peak 666 from cnoeabs.peaks (0.75, 1.69, 29.43 ppm; 2.79 A): 3 out of 45 assignments used, quality = 1.00: * HG13 ILE 15 + HG12 ILE 15 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 15 + HD2 LYS 12 OK 52 67 100 78 3.7-4.3 681=30, 10393/3.0=18...(13) QD1 ILE 15 - HD3 LYS 12 far 0 67 0 - 4.3-5.6 QD1 ILE 93 - HD3 LYS 90 far 0 96 0 - 5.0-6.1 HG13 ILE 15 - HD2 LYS 12 far 0 68 0 - 5.4-6.2 QD1 ILE 93 - HD2 LYS 20 far 0 68 0 - 6.2-8.8 QD1 ILE 93 - HB3 ARG 91 far 0 84 0 - 6.4-7.3 HG13 ILE 15 - HD3 LYS 12 far 0 68 0 - 6.4-7.7 QG2 ILE 8 - HG12 ILE 15 far 0 73 0 - 6.4-7.0 QD1 ILE 93 - HG12 ILE 15 far 0 96 0 - 6.6-7.7 QD1 ILE 93 - HD3 LYS 20 far 0 62 0 - 6.7-8.4 QG2 ILE 93 - HD3 LYS 90 far 0 100 0 - 6.8-8.2 HG13 ILE 93 - HD3 LYS 90 far 0 98 0 - 7.1-9.1 QG1 VAL 58 - HG12 ILE 15 far 0 70 0 - 7.2-8.3 QG2 ILE 93 - HB3 ARG 91 far 0 90 0 - 7.2-7.8 HG13 ILE 93 - HB3 ARG 91 far 0 87 0 - 7.2-9.6 QG1 VAL 5 - HG12 ILE 15 far 0 81 0 - 7.4-7.9 QG2 ILE 93 - HD2 LYS 20 far 0 74 0 - 7.5-10.1 QG2 ILE 52 - HD3 LYS 47 far 0 73 0 - 7.7-10.1 QD1 LEU 6 - HG12 ILE 15 far 0 96 0 - 7.7-9.8 QG1 VAL 5 - HD3 LYS 90 far 0 80 0 - 8.1-9.5 QG2 ILE 93 - HD3 LYS 20 far 0 68 0 - 8.3-9.8 QD1 ILE 15 - HD2 LYS 20 far 0 74 0 - 8.5-10.2 QG1 VAL 5 - HB3 ARG 91 far 0 67 0 - 8.5-9.7 QG2 ILE 52 - HD2 LYS 47 far 0 71 0 - 8.7-10.0 QD1 ILE 15 - HD3 LYS 20 far 0 68 0 - 8.7-10.7 QD1 ILE 15 - HD3 LYS 90 far 0 100 0 - 8.8-11.9 QG1 VAL 5 - HD2 LYS 20 far 0 53 0 - 8.9-10.4 HG3 ARG 81 - HB3 ARG 91 far 0 84 0 - 9.0-10.9 QD2 LEU 42 - HD3 LYS 47 far 0 86 0 - 9.2-11.9 QG1 VAL 5 - HD3 LYS 20 far 0 48 0 - 9.2-10.9 HG13 ILE 93 - HG12 ILE 15 far 0 99 0 - 9.4-10.7 QG2 ILE 8 - HD2 LYS 12 far 0 42 0 - 9.4-11.4 QD1 LEU 27 - HB3 ARG 91 far 0 85 0 - 9.4-10.4 QD1 LEU 27 - HD3 LYS 90 far 0 97 0 - 9.5-10.8 HG13 ILE 93 - HD2 LYS 20 far 0 71 0 - 9.5-12.9 QG2 ILE 93 - HG12 ILE 15 far 0 100 0 - 9.6-10.7 QG1 VAL 54 - HD3 LYS 47 far 0 88 0 - 9.6-12.9 QD2 LEU 42 - HD2 LYS 47 far 0 84 0 - 9.6-11.9 QG2 ILE 8 - HD3 LYS 12 far 0 42 0 - 9.7-12.8 QD1 LEU 27 - HD2 LYS 20 far 0 69 0 - 9.8-11.7 HG13 ILE 15 - HD2 LYS 20 far 0 74 0 - 9.8-11.9 QG1 VAL 78 - HD3 LYS 47 far 0 87 0 - 9.9-12.6 QG1 VAL 54 - HD2 LYS 47 far 0 87 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 667 from cnoeabs.peaks (0.76, 1.69, 29.43 ppm; 2.79 A): 4 out of 54 assignments used, quality = 1.00: * QD1 ILE 15 + HG12 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 15 + HG12 ILE 15 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 ILE 15 + HD2 LYS 12 OK 53 68 100 78 3.7-4.3 681=30, 10393/3.0=19...(13) QG2 ILE 7 + HG12 ILE 15 OK 48 59 100 80 1.9-2.6 ~8469=15, ~10118=14...(26) QD1 ILE 15 - HD3 LYS 12 far 0 68 0 - 4.3-5.6 QD1 ILE 93 - HD3 LYS 90 far 0 99 0 - 5.0-6.1 HG13 ILE 15 - HD2 LYS 12 far 0 67 0 - 5.4-6.2 QD1 ILE 93 - HD2 LYS 20 far 0 71 0 - 6.2-8.8 QG2 ILE 7 - HD2 LYS 12 far 0 33 0 - 6.3-7.1 QD1 ILE 93 - HB3 ARG 91 far 0 88 0 - 6.4-7.3 HG13 ILE 15 - HD3 LYS 12 far 0 67 0 - 6.4-7.7 QG2 ILE 8 - HG12 ILE 15 far 0 82 0 - 6.4-7.0 QD1 ILE 93 - HG12 ILE 15 far 0 99 0 - 6.6-7.7 QD2 LEU 57 - HG12 ILE 15 far 0 65 0 - 6.6-8.3 QD1 ILE 93 - HD3 LYS 20 far 0 66 0 - 6.7-8.4 QG2 ILE 93 - HD3 LYS 90 far 0 99 0 - 6.8-8.2 QG2 ILE 7 - HD3 LYS 12 far 0 33 0 - 7.1-8.3 HG13 ILE 93 - HD3 LYS 90 far 0 95 0 - 7.1-9.1 QG1 VAL 58 - HG12 ILE 15 far 0 59 0 - 7.2-8.3 QG2 ILE 93 - HB3 ARG 91 far 0 88 0 - 7.2-7.8 HG13 ILE 93 - HB3 ARG 91 far 0 83 0 - 7.2-9.6 QG1 VAL 5 - HG12 ILE 15 far 0 71 0 - 7.4-7.9 QD2 LEU 57 - HB3 ARG 91 far 0 54 0 - 7.4-9.0 QG2 ILE 93 - HD2 LYS 20 far 0 72 0 - 7.5-10.1 QG2 ILE 52 - HD3 LYS 47 far 0 79 0 - 7.7-10.1 QD1 LEU 6 - HG12 ILE 15 far 0 99 0 - 7.7-9.8 QD2 LEU 57 - HD3 LYS 90 far 0 65 0 - 7.8-9.9 QG1 VAL 5 - HD3 LYS 90 far 0 71 0 - 8.1-9.5 QG2 ILE 93 - HD3 LYS 20 far 0 66 0 - 8.3-9.8 QG2 ILE 7 - HD2 LYS 20 far 0 37 0 - 8.4-10.2 QD1 ILE 15 - HD2 LYS 20 far 0 74 0 - 8.5-10.2 QG1 VAL 5 - HB3 ARG 91 far 0 59 0 - 8.5-9.7 QG2 ILE 7 - HD3 LYS 20 far 0 34 0 - 8.7-11.1 QG2 ILE 52 - HD2 LYS 47 far 0 78 0 - 8.7-10.0 QG2 ILE 7 - HD3 LYS 90 far 0 59 0 - 8.7-11.3 QD1 ILE 15 - HD3 LYS 20 far 0 69 0 - 8.7-10.7 QD1 ILE 15 - HD3 LYS 90 far 0 100 0 - 8.8-11.9 QG1 VAL 5 - HD2 LYS 20 far 0 46 0 - 8.9-10.4 HG3 ARG 81 - HB3 ARG 91 far 0 79 0 - 9.0-10.9 QD2 LEU 42 - HD3 LYS 47 far 0 88 0 - 9.2-11.9 QG1 VAL 5 - HD3 LYS 20 far 0 42 0 - 9.2-10.9 HG13 ILE 93 - HG12 ILE 15 far 0 96 0 - 9.4-10.7 QG2 ILE 8 - HD2 LYS 12 far 0 49 0 - 9.4-11.4 QD1 LEU 27 - HB3 ARG 91 far 0 88 0 - 9.4-10.4 QD1 LEU 27 - HD3 LYS 90 far 0 99 0 - 9.5-10.8 HG13 ILE 93 - HD2 LYS 20 far 0 67 0 - 9.5-12.9 QG2 ILE 93 - HG12 ILE 15 far 0 99 0 - 9.6-10.7 QG1 VAL 54 - HD3 LYS 47 far 0 90 0 - 9.6-12.9 QD2 LEU 42 - HD2 LYS 47 far 0 87 0 - 9.6-11.9 QG2 ILE 8 - HD3 LYS 12 far 0 49 0 - 9.7-12.8 QD1 LEU 27 - HD2 LYS 20 far 0 72 0 - 9.8-11.7 HG13 ILE 15 - HD2 LYS 20 far 0 74 0 - 9.8-11.9 QG1 VAL 78 - HD3 LYS 47 far 0 84 0 - 9.9-12.6 QG1 VAL 54 - HD2 LYS 47 far 0 88 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 668 from cnoeabs.peaks (8.02, 1.69, 29.43 ppm; 4.25 A): 3 out of 13 assignments used, quality = 1.00: * H GLU 16 + HG12 ILE 15 OK 100 100 100 100 4.5-4.7 652/2.9=73, 684/2.1=68...(18) H LYS 90 + HD3 LYS 90 OK 77 77 100 100 2.3-4.4 7422=70, 3.0/3918=61...(25) H GLU 16 + HD2 LYS 20 OK 38 74 70 73 5.2-7.3 6237/12058=20...(23) H ARG 46 - HD2 LYS 47 poor 17 87 20 - 5.5-7.4 H ARG 46 - HD3 LYS 47 poor 16 88 30 61 5.1-7.1 6761/6775=30...(8) H GLU 16 - HD3 LYS 20 poor 14 69 20 - 5.4-8.2 H GLU 16 - HD2 LYS 12 poor 14 68 20 - 3.6-6.2 H GLU 16 - HD3 LYS 12 far 10 68 15 - 4.3-7.8 H LYS 90 - HB3 ARG 91 far 3 64 5 - 4.8-6.2 H GLU 16 - HD3 LYS 90 far 0 100 0 - 7.1-11.0 H LYS 90 - HD2 LYS 20 far 0 50 0 - 7.6-10.5 H LYS 90 - HD3 LYS 20 far 0 46 0 - 7.9-10.9 H LYS 90 - HG12 ILE 15 far 0 77 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 669 from cnoeabs.peaks (8.07, 0.75, 29.43 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 15 + HG13 ILE 15 OK 100 100 100 100 3.8-4.1 3.0/670=59, 4.6=58...(21) H LYS 13 - HG13 ILE 15 far 0 100 0 - 6.9-7.3 H GLU 17 - HG13 ILE 15 far 0 99 0 - 7.3-7.7 H LYS 90 - HG13 ILE 15 far 0 81 0 - 9.8-10.6 Violated in 18 structures by 0.07 A. Peak 670 from cnoeabs.peaks (3.26, 0.75, 29.43 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HG13 ILE 15 OK 100 100 100 100 3.0-3.4 4.1=84, 678/2.1=74...(41) Violated in 0 structures by 0.00 A. Peak 671 from cnoeabs.peaks (1.73, 0.75, 29.43 ppm; 3.28 A): 2 out of 10 assignments used, quality = 1.00: * HB ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.7-2.9 2.9=100 HG12 ILE 15 + HG13 ILE 15 OK 65 65 100 100 1.8-1.8 1.8=100 HG3 ARG 19 - HG13 ILE 15 far 0 75 0 - 5.4-9.5 HD2 LYS 12 - HG13 ILE 15 far 0 79 0 - 5.4-6.2 HD3 LYS 33 - HG13 ILE 15 far 0 100 0 - 6.1-7.8 HD3 LYS 12 - HG13 ILE 15 far 0 79 0 - 6.4-7.7 HD2 LYS 33 - HG13 ILE 15 far 0 100 0 - 6.5-8.0 HD2 LYS 13 - HG13 ILE 15 far 0 79 0 - 8.3-9.7 HD3 LYS 13 - HG13 ILE 15 far 0 82 0 - 8.5-9.6 HD2 LYS 90 - HG13 ILE 15 far 0 99 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 672 from cnoeabs.peaks (0.81, 0.75, 29.43 ppm; 2.98 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 15 + HG13 ILE 15 OK 100 100 100 100 2.0-2.2 3.2=81, 680/2.1=39...(31) QG2 ILE 7 + HG13 ILE 15 OK 95 99 100 97 1.8-2.2 680/2.1=36, 3.2/10118=25...(32) QG2 ILE 8 - HG13 ILE 15 far 0 88 0 - 5.9-6.8 QG2 VAL 32 - HG13 ILE 15 far 0 90 0 - 6.3-6.7 QD1 LEU 6 - HG13 ILE 15 far 0 59 0 - 7.2-9.1 QD2 LEU 57 - HG13 ILE 15 far 0 97 0 - 7.2-8.9 QD1 LEU 57 - HG13 ILE 15 far 0 94 0 - 8.4-9.4 QD2 LEU 38 - HG13 ILE 15 far 0 98 0 - 8.5-10.7 Violated in 0 structures by 0.00 A. Peak 673 from cnoeabs.peaks (1.69, 0.75, 29.43 ppm; 3.17 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 15 + HG13 ILE 15 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 15 + HG13 ILE 15 OK 65 65 100 100 2.7-2.9 2.9=100 HD2 LYS 12 - HG13 ILE 15 far 0 100 0 - 5.4-6.2 HD3 LYS 33 - HG13 ILE 15 far 0 75 0 - 6.1-7.8 HD3 LYS 12 - HG13 ILE 15 far 0 100 0 - 6.4-7.7 HD2 LYS 33 - HG13 ILE 15 far 0 75 0 - 6.5-8.0 HD2 LYS 13 - HG13 ILE 15 far 0 100 0 - 8.3-9.7 HD3 LYS 13 - HG13 ILE 15 far 0 99 0 - 8.5-9.6 HD2 LYS 20 - HG13 ILE 15 far 0 96 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 674 from cnoeabs.peaks (0.75, 0.75, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 15 + HG13 ILE 15 OK 100 100 - 100 Peak 675 from cnoeabs.peaks (0.76, 0.75, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG13 ILE 15 + HG13 ILE 15 OK 100 100 - 100 Reference assignment not found: QD1 ILE 15 - HG13 ILE 15 Peak 676 from cnoeabs.peaks (8.02, 0.75, 29.43 ppm; 5.07 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 16 + HG13 ILE 15 OK 100 100 100 100 5.1-5.3 652/2.9=91, 684/2.1=89...(17) H LYS 90 - HG13 ILE 15 far 0 77 0 - 9.8-10.6 Violated in 20 structures by 0.14 A. Peak 677 from cnoeabs.peaks (8.07, 0.76, 13.00 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 15 + QD1 ILE 15 OK 100 100 100 100 1.9-2.8 669/2.1=62, 3.0/678=56...(24) H LYS 13 + QD1 ILE 15 OK 95 100 100 95 3.8-4.4 3.6/8446=49...(18) H GLU 17 - QD1 ILE 15 far 0 99 0 - 5.8-6.3 H LYS 90 - QD1 ILE 15 far 0 81 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 678 from cnoeabs.peaks (3.26, 0.76, 13.00 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + QD1 ILE 15 OK 100 100 100 100 3.5-3.7 4.2=68, 670/2.1=64...(37) Violated in 4 structures by 0.01 A. Peak 679 from cnoeabs.peaks (1.73, 0.76, 13.00 ppm; 2.95 A): 3 out of 12 assignments used, quality = 1.00: * HB ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.0-2.1 3.2=76, 2.1/680=39...(34) HG12 ILE 15 + QD1 ILE 15 OK 65 65 100 100 2.1-2.1 2.1=100 HD2 LYS 12 + QD1 ILE 15 OK 65 79 100 83 3.7-4.3 3.0/10393=22...(15) HD3 LYS 12 - QD1 ILE 15 far 12 79 15 - 4.3-5.6 HD2 LYS 13 - QD1 ILE 15 far 0 79 0 - 5.4-6.2 HD3 LYS 13 - QD1 ILE 15 far 0 82 0 - 5.5-6.2 HD2 LYS 33 - QD1 ILE 15 far 0 100 0 - 5.6-6.8 HD3 LYS 33 - QD1 ILE 15 far 0 100 0 - 5.6-7.4 HG3 ARG 19 - QD1 ILE 15 far 0 75 0 - 5.8-9.1 HG2 PRO 86 - QD1 ILE 15 far 0 63 0 - 7.8-8.7 HD2 LYS 90 - QD1 ILE 15 far 0 99 0 - 7.9-11.7 HD3 LYS 90 - QD1 ILE 15 far 0 71 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 680 from cnoeabs.peaks (0.81, 0.76, 13.00 ppm; 2.40 A): 2 out of 8 assignments used, quality = 0.99: * QG2 ILE 15 + QD1 ILE 15 OK 95 100 100 95 2.7-3.0 3.0=52, 10123/8467=27...(29) QG2 ILE 7 + QD1 ILE 15 OK 87 99 100 88 2.9-3.4 8282/8467=24...(30) QG2 ILE 8 - QD1 ILE 15 far 0 88 0 - 5.4-5.9 QG2 VAL 32 - QD1 ILE 15 far 0 90 0 - 6.3-7.0 QD2 LEU 57 - QD1 ILE 15 far 0 97 0 - 7.2-8.5 QD1 LEU 57 - QD1 ILE 15 far 0 94 0 - 7.5-8.9 QD1 LEU 6 - QD1 ILE 15 far 0 59 0 - 7.5-9.1 QD2 LEU 38 - QD1 ILE 15 far 0 98 0 - 8.0-9.8 Violated in 20 structures by 0.23 A. Peak 681 from cnoeabs.peaks (1.69, 0.76, 13.00 ppm; 2.89 A): 3 out of 13 assignments used, quality = 1.00: * HG12 ILE 15 + QD1 ILE 15 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 12 + QD1 ILE 15 OK 84 100 100 84 3.7-4.3 10396=26, 3.0/10393=21...(15) HB ILE 15 + QD1 ILE 15 OK 65 65 100 99 2.0-2.1 3.2=72, 2.1/680=38...(34) HD3 LYS 12 - QD1 ILE 15 far 10 100 10 - 4.3-5.6 HD2 LYS 13 - QD1 ILE 15 far 0 100 0 - 5.4-6.2 HD3 LYS 13 - QD1 ILE 15 far 0 99 0 - 5.5-6.2 HD2 LYS 33 - QD1 ILE 15 far 0 75 0 - 5.6-6.8 HD3 LYS 33 - QD1 ILE 15 far 0 75 0 - 5.6-7.4 HG2 PRO 86 - QD1 ILE 15 far 0 100 0 - 7.8-8.7 HD2 LYS 20 - QD1 ILE 15 far 0 96 0 - 8.5-10.2 HD3 LYS 20 - QD1 ILE 15 far 0 93 0 - 8.7-10.7 HD3 LYS 90 - QD1 ILE 15 far 0 100 0 - 8.8-11.9 HG3 LYS 20 - QD1 ILE 15 far 0 93 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 682 from cnoeabs.peaks (0.75, 0.76, 13.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 ILE 15 + QD1 ILE 15 OK 100 100 - 100 Reference assignment not found: HG13 ILE 15 - QD1 ILE 15 Peak 683 from cnoeabs.peaks (0.76, 0.76, 13.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 15 + QD1 ILE 15 OK 100 100 - 100 Peak 684 from cnoeabs.peaks (8.02, 0.76, 13.00 ppm; 4.44 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 16 + QD1 ILE 15 OK 100 100 100 100 3.7-4.2 660/3.0=73, 652/3.2=73...(22) H LYS 90 - QD1 ILE 15 far 0 77 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 685 from cnoeabs.peaks (8.02, 4.04, 59.03 ppm; 3.50 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 16 + HA GLU 16 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 16 - HA GLU 17 far 0 55 0 - 5.3-5.4 H LYS 90 - HA GLU 17 far 0 36 0 - 6.0-7.5 H GLY 101 - HA GLU 95 far 0 47 0 - 6.2-9.4 H GLU 16 - HA LYS 20 far 0 81 0 - 8.7-9.3 H LYS 90 - HA GLU 16 far 0 77 0 - 8.8-10.0 H LYS 90 - HA LYS 20 far 0 55 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 686 from cnoeabs.peaks (4.04, 4.04, 59.03 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 16 + HA GLU 16 OK 100 100 - 100 HA LYS 20 + HA LYS 20 OK 79 79 - 100 HA GLU 17 + HA GLU 17 OK 54 54 - 100 HA GLU 95 + HA GLU 95 OK 38 38 - 100 Peak 687 from cnoeabs.peaks (2.08, 4.04, 59.03 ppm; 3.31 A): 3 out of 27 assignments used, quality = 1.00: * HB2 GLU 16 + HA GLU 16 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 23 + HA LYS 20 OK 64 77 100 84 2.5-4.5 6365/6358=35, 1019=33...(7) HB2 GLU 16 + HA GLU 17 OK 48 55 95 92 4.1-5.3 6250/2.9=53, 697=31...(17) HB2 GLU 98 - HA GLU 95 poor 16 30 100 54 2.9-3.7 4.0/7583=17, 1.8/4376=15...(7) HB3 GLU 99 - HA GLU 95 poor 13 23 55 - 4.2-6.0 HB2 GLU 99 - HA GLU 95 poor 12 29 40 - 4.2-6.3 HB3 GLU 98 - HA GLU 95 poor 9 29 30 - 4.6-5.4 HB3 PRO 86 - HA GLU 17 far 2 37 5 - 4.7-6.6 HB2 MET 21 - HA LYS 20 far 0 62 0 - 5.5-6.5 HB2 MET 21 - HA GLU 17 far 0 41 0 - 5.6-7.2 QE MET 21 - HA GLU 95 far 0 37 0 - 6.0-7.6 QE MET 21 - HA LYS 20 far 0 65 0 - 6.0-6.6 HG3 GLU 104 - HA GLU 95 far 0 38 0 - 6.3-14.7 QE MET 21 - HA GLU 17 far 0 43 0 - 6.5-7.9 HB2 GLU 16 - HA LYS 20 far 0 81 0 - 6.8-8.5 HG2 GLU 28 - HA LYS 20 far 0 76 0 - 7.7-11.3 HB2 MET 21 - HA GLU 16 far 0 85 0 - 7.9-9.5 HB3 PRO 86 - HA GLU 16 far 0 79 0 - 7.9-9.5 HB2 GLU 23 - HA GLU 16 far 0 99 0 - 8.3-10.6 HG3 GLU 28 - HA LYS 20 far 0 76 0 - 8.5-11.1 HG12 ILE 93 - HA LYS 20 far 0 43 0 - 8.5-10.3 HB2 GLU 23 - HA GLU 17 far 0 52 0 - 8.5-10.5 HG12 ILE 93 - HA GLU 95 far 0 23 0 - 8.8-9.5 HG12 ILE 93 - HA GLU 17 far 0 27 0 - 8.9-10.7 HB2 MET 21 - HA GLU 95 far 0 35 0 - 9.1-11.6 QE MET 21 - HA GLU 16 far 0 88 0 - 9.3-9.7 HG12 ILE 93 - HA GLU 16 far 0 61 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 688 from cnoeabs.peaks (2.17, 4.04, 59.03 ppm; 3.30 A): 5 out of 11 assignments used, quality = 1.00: * HB3 GLU 16 + HA GLU 16 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 23 + HA LYS 20 OK 64 76 100 84 2.1-4.1 6366/6358=36...(8) HB3 GLU 16 + HA GLU 17 OK 48 55 95 91 4.2-5.1 710/2.9=36, ~6250=29...(15) HB3 GLU 95 + HA GLU 95 OK 47 47 100 100 2.4-2.7 3.0=100 HB2 GLU 95 + HA GLU 95 OK 22 22 100 100 2.4-3.0 3.0=100 HG2 GLU 104 - HA GLU 95 far 0 41 0 - 4.9-15.5 HB3 GLU 16 - HA LYS 20 far 0 81 0 - 6.8-8.7 HG3 PRO 86 - HA GLU 17 far 0 36 0 - 6.8-8.8 HB3 GLU 23 - HA GLU 17 far 0 52 0 - 7.7-10.2 HB3 GLU 23 - HA GLU 16 far 0 98 0 - 8.1-9.6 HG3 PRO 86 - HA GLU 16 far 0 77 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 689 from cnoeabs.peaks (2.34, 4.04, 59.03 ppm; 3.72 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 16 + HA GLU 16 OK 100 100 100 100 2.4-3.7 712=78, 6239/3.0=60...(26) HG2 GLU 16 - HA GLU 17 far 3 55 5 - 2.8-6.5 HG2 GLU 16 - HA LYS 20 far 0 81 0 - 6.7-9.5 Violated in 1 structures by 0.00 A. Peak 690 from cnoeabs.peaks (2.30, 4.04, 59.03 ppm; 3.65 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 16 + HA GLU 16 OK 100 100 100 100 2.6-3.8 4.1=71, 1.8/712=64...(23) HG2 GLU 23 + HA LYS 20 OK 51 58 100 88 3.4-4.9 1.8/10471=45...(9) HG2 GLU 95 + HA GLU 95 OK 34 34 100 100 2.3-3.8 4.1=69, 1.8/4308=61...(12) HG3 GLU 16 - HA GLU 17 far 3 55 5 - 3.5-6.5 HG2 GLU 23 - HA GLU 16 far 0 81 0 - 7.8-9.8 HG3 GLU 16 - HA LYS 20 far 0 81 0 - 8.2-10.2 HG2 GLU 23 - HA GLU 17 far 0 38 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 691 from cnoeabs.peaks (8.06, 4.04, 59.03 ppm; 3.41 A): 2 out of 11 assignments used, quality = 1.00: * H GLU 17 + HA GLU 16 OK 99 100 100 99 3.6-3.6 3.6=87, 6250/3.0=55...(22) H GLU 17 + HA GLU 17 OK 55 55 100 100 2.7-2.8 2.9=100 H ILE 15 - HA GLU 16 far 0 99 0 - 5.3-5.5 H SER 102 - HA GLU 95 far 0 48 0 - 5.9-11.7 H LYS 90 - HA GLU 17 far 0 48 0 - 6.0-7.5 H ILE 15 - HA GLU 17 far 0 52 0 - 7.0-7.3 H LYS 13 - HA GLU 16 far 0 98 0 - 7.1-7.5 H GLU 17 - HA LYS 20 far 0 81 0 - 7.5-7.9 H LYS 13 - HA GLU 17 far 0 52 0 - 8.3-9.2 H LYS 90 - HA GLU 16 far 0 95 0 - 8.8-10.0 H LYS 90 - HA LYS 20 far 0 72 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 692 from cnoeabs.peaks (8.90, 4.04, 59.03 ppm; 4.11 A): 3 out of 3 assignments used, quality = 1.00: * H ARG 19 + HA GLU 16 OK 99 100 100 99 3.2-3.5 6278=51, 6279/3.6=50...(20) H ARG 19 + HA LYS 20 OK 78 81 100 97 5.2-5.5 6291/2.9=77, 6292/3.6=46...(13) H ARG 19 + HA GLU 17 OK 54 55 100 98 4.3-4.6 6281/3.6=66, 6279/2.9=57...(11) Violated in 0 structures by 0.00 A. Peak 693 from cnoeabs.peaks (1.89, 4.04, 59.03 ppm; 3.21 A): 4 out of 23 assignments used, quality = 0.99: * HB2 ARG 19 + HA GLU 16 OK 82 100 95 86 2.3-4.8 1.8/798=27, 788=19...(19) HB2 LYS 20 + HA LYS 20 OK 80 80 100 100 2.2-3.0 3.0=100 HB3 ARG 19 + HA GLU 16 OK 51 63 100 80 2.5-4.2 1.8/788=18, 3.0/8503=18...(15) HB3 ARG 19 + HA LYS 20 OK 32 44 85 86 3.8-5.1 ~797=23, 1.8/788=18...(17) HB2 LYS 20 - HA GLU 17 poor 16 55 30 - 3.6-5.0 HB2 ARG 19 - HA LYS 20 far 12 81 15 - 4.0-5.5 HB2 LYS 94 - HA GLU 95 poor 8 31 25 - 3.7-5.6 HB3 GLU 104 - HA GLU 95 far 0 38 0 - 4.8-15.9 HB2 ARG 19 - HA GLU 17 far 0 55 0 - 5.1-6.8 HB3 ARG 19 - HA GLU 17 far 0 28 0 - 5.2-7.3 HB2 LYS 20 - HA GLU 16 far 0 100 0 - 5.3-6.5 HB2 LYS 12 - HA GLU 16 far 0 81 0 - 5.8-7.2 HB2 LYS 13 - HA GLU 17 far 0 42 0 - 6.7-7.6 HB3 LYS 12 - HA GLU 16 far 0 84 0 - 6.9-8.1 HB3 LEU 14 - HA GLU 16 far 0 99 0 - 7.6-7.9 HB2 LYS 13 - HA GLU 16 far 0 87 0 - 7.6-8.1 HB3 LYS 13 - HA GLU 17 far 0 44 0 - 7.8-8.8 HB3 LYS 13 - HA GLU 16 far 0 90 0 - 8.1-8.4 HB3 LEU 14 - HA GLU 17 far 0 53 0 - 8.1-8.4 HB VAL 5 - HA LYS 20 far 0 54 0 - 8.5-9.5 HB2 LYS 12 - HA GLU 17 far 0 38 0 - 8.9-10.6 HB3 LYS 12 - HA GLU 17 far 0 40 0 - 9.4-11.3 HB VAL 5 - HA GLU 16 far 0 75 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 694 from cnoeabs.peaks (1.93, 4.04, 59.03 ppm; 3.10 A): 5 out of 23 assignments used, quality = 1.00: * HB3 ARG 19 + HA GLU 16 OK 83 100 100 83 2.5-4.2 798=28, 799/6278=17...(16) HB3 LYS 20 + HA LYS 20 OK 80 80 100 100 2.3-2.9 3.0=100 HB3 ARG 19 + HA LYS 20 OK 61 81 85 90 3.8-5.1 798=29, 6308/2.9=26...(19) HB2 GLU 17 + HA GLU 17 OK 52 52 100 100 2.3-3.0 2.9=100 HB2 ARG 19 + HA GLU 16 OK 47 63 95 78 2.3-4.8 1.8/798=25, 3.0/8503=16...(16) HB2 LYS 94 - HA GLU 95 poor 12 47 25 - 3.7-5.6 HB3 LYS 20 - HA GLU 17 far 8 55 15 - 3.8-5.2 HB2 LYS 24 - HA LYS 20 far 8 50 15 - 4.4-5.8 HB2 ARG 19 - HA LYS 20 far 4 44 10 - 4.0-5.5 HB3 LYS 24 - HA LYS 20 far 3 50 5 - 4.6-6.1 HB2 ARG 19 - HA GLU 17 far 0 28 0 - 5.1-6.8 HB3 ARG 19 - HA GLU 17 far 0 55 0 - 5.2-7.3 HB2 GLU 17 - HA GLU 16 far 0 98 0 - 5.8-6.6 HB3 LYS 20 - HA GLU 16 far 0 100 0 - 6.5-7.4 HB2 LYS 13 - HA GLU 17 far 0 51 0 - 6.7-7.6 HB3 LEU 14 - HA GLU 16 far 0 82 0 - 7.6-7.9 HB2 LYS 13 - HA GLU 16 far 0 98 0 - 7.6-8.1 HB2 GLU 17 - HA LYS 20 far 0 76 0 - 7.7-8.6 HB3 LYS 13 - HA GLU 17 far 0 50 0 - 7.8-8.8 HB3 LYS 13 - HA GLU 16 far 0 96 0 - 8.1-8.4 HB3 LEU 14 - HA GLU 17 far 0 39 0 - 8.1-8.4 HB3 LYS 24 - HA GLU 17 far 0 33 0 - 8.1-9.1 HB2 LYS 24 - HA GLU 17 far 0 33 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 695 from cnoeabs.peaks (4.15, 2.08, 29.20 ppm; 3.05 A): 2 out of 4 assignments used, quality = 0.97: HA GLU 23 + HB2 GLU 23 OK 95 95 100 100 2.4-3.0 3.0=100 * HA LYS 13 + HB2 GLU 16 OK 43 100 50 86 3.1-5.1 493=61, 492/6237=36...(6) HA LYS 47 - HB3 GLU 43 far 0 93 0 - 7.3-9.0 HA GLU 62 - HB3 GLU 35 far 0 61 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 696 from cnoeabs.peaks (8.02, 2.08, 29.20 ppm; 3.41 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 16 + HB2 GLU 16 OK 100 100 100 100 2.1-3.6 6237=100, 6238/1.8=81...(14) H ARG 46 - HB3 GLU 43 far 0 95 0 - 5.0-5.5 H LYS 90 - HB2 GLU 16 far 0 77 0 - 8.8-10.6 Violated in 10 structures by 0.09 A. Peak 697 from cnoeabs.peaks (4.04, 2.08, 29.20 ppm; 3.23 A): 3 out of 10 assignments used, quality = 1.00: * HA GLU 16 + HB2 GLU 16 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 20 + HB2 GLU 23 OK 84 95 100 88 2.5-4.5 856=50, 6358/6365=33...(7) HA GLU 17 + HB2 GLU 16 OK 84 99 95 89 4.1-5.3 2.9/6250=50, ~710=20...(17) HA LYS 66 - HB3 GLU 35 poor 12 61 20 - 4.3-6.6 HA LEU 70 - HB3 GLU 35 far 0 75 0 - 5.3-8.3 HA LYS 20 - HB2 GLU 16 far 0 100 0 - 6.8-8.5 HA ARG 46 - HB3 GLU 43 far 0 72 0 - 7.0-7.9 HA GLU 16 - HB2 GLU 23 far 0 96 0 - 8.3-10.6 HA GLU 17 - HB2 GLU 23 far 0 95 0 - 8.5-10.5 HA LEU 70 - HB3 GLU 43 far 0 78 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 698 from cnoeabs.peaks (2.08, 2.08, 29.20 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLU 16 + HB2 GLU 16 OK 100 100 - 100 HB2 GLU 23 + HB2 GLU 23 OK 93 93 - 100 HB3 GLU 43 + HB3 GLU 43 OK 93 93 - 100 HB3 GLU 35 + HB3 GLU 35 OK 92 92 - 100 Peak 699 from cnoeabs.peaks (2.17, 2.08, 29.20 ppm; 2.40 A): 5 out of 15 assignments used, quality = 1.00: * HB3 GLU 16 + HB2 GLU 16 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 23 + HB2 GLU 23 OK 93 93 100 100 1.8-1.8 1.8=100 HG2 GLU 43 + HB3 GLU 43 OK 61 81 100 76 2.2-2.7 3.0=51, 6695/6694=17...(14) HG3 GLU 35 + HB3 GLU 35 OK 56 65 100 86 2.3-3.0 2.9=54, 1.8/1551=21...(21) HG2 GLU 35 + HB3 GLU 35 OK 56 65 100 86 2.3-3.0 2.9=54, 1.8/1551=21...(21) HG2 GLU 44 - HB3 GLU 43 lone 7 68 60 18 3.2-6.5 4.8/6707=12, 4535/6694=4, 4540=3 HB2 GLU 69 - HB3 GLU 35 far 0 50 0 - 5.5-8.4 HG2 GLU 69 - HB3 GLU 35 far 0 50 0 - 6.5-9.6 HB3 GLU 69 - HB3 GLU 35 far 0 50 0 - 6.7-9.2 HB2 GLU 63 - HB3 GLU 35 far 0 63 0 - 6.9-9.9 HG3 PRO 86 - HB2 GLU 16 far 0 77 0 - 8.6-10.9 HB3 GLU 23 - HB2 GLU 16 far 0 98 0 - 9.2-11.9 HB3 GLU 16 - HB2 GLU 23 far 0 96 0 - 9.2-12.6 HG2 GLU 43 - HB3 GLU 35 far 0 78 0 - 9.7-12.3 HB2 GLU 75 - HB3 GLU 43 far 0 70 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 700 from cnoeabs.peaks (2.34, 2.08, 29.20 ppm; 2.92 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 16 + HB2 GLU 16 OK 100 100 100 100 2.3-3.0 3.0=91, 6239/6237=34...(27) HG3 GLU 43 + HB3 GLU 43 OK 88 89 100 99 2.7-2.9 3.0=92, 6696/6694=33...(22) HG3 GLU 44 - HB3 GLU 43 far 9 90 10 - 3.3-5.6 HB2 TYR 41 - HB3 GLU 43 far 0 80 0 - 6.6-8.6 HG3 GLU 69 - HB3 GLU 35 far 0 93 0 - 7.9-10.8 HG2 GLU 48 - HB3 GLU 43 far 0 96 0 - 9.1-11.1 HB2 TYR 41 - HB3 GLU 35 far 0 76 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 701 from cnoeabs.peaks (2.30, 2.08, 29.20 ppm; 2.75 A): 3 out of 9 assignments used, quality = 1.00: * HG3 GLU 16 + HB2 GLU 16 OK 98 100 100 98 2.2-2.8 3.0=76, 6240/6237=31...(23) HG3 GLU 43 + HB3 GLU 43 OK 75 80 100 94 2.7-2.9 3.0=77, 6696/6694=26...(20) HG2 GLU 23 + HB2 GLU 23 OK 71 74 100 97 2.4-2.9 2.9=86, 4303/1.8=25...(18) HG3 GLU 62 - HB3 GLU 35 far 0 58 0 - 5.8-10.7 HG2 GLU 62 - HB3 GLU 35 far 0 58 0 - 6.5-12.4 HB2 TYR 41 - HB3 GLU 43 far 0 89 0 - 6.6-8.6 HG2 GLU 63 - HB3 GLU 35 far 0 93 0 - 7.8-11.7 HG2 GLU 48 - HB3 GLU 43 far 0 61 0 - 9.1-11.1 HB2 TYR 41 - HB3 GLU 35 far 0 86 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 702 from cnoeabs.peaks (8.06, 2.08, 29.20 ppm; 3.49 A): 1 out of 8 assignments used, quality = 1.00: * H GLU 17 + HB2 GLU 16 OK 100 100 100 100 2.2-3.3 6250=100, 710/1.8=54...(17) H LYS 39 - HB3 GLU 35 poor 16 81 20 - 4.5-6.1 H ILE 15 - HB2 GLU 16 far 10 99 10 - 4.8-6.4 H LYS 13 - HB2 GLU 16 far 0 98 0 - 5.1-7.0 H LYS 39 - HB3 GLU 43 far 0 85 0 - 6.7-8.4 H LYS 90 - HB2 GLU 16 far 0 95 0 - 8.8-10.6 H GLU 75 - HB3 GLU 43 far 0 92 0 - 9.5-11.1 H GLU 17 - HB2 GLU 23 far 0 96 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 703 from cnoeabs.peaks (4.15, 2.17, 29.20 ppm; 3.22 A): 2 out of 7 assignments used, quality = 0.97: HA GLU 23 + HB3 GLU 23 OK 94 94 100 100 2.5-3.0 3.0=100 * HA LYS 13 + HB3 GLU 16 OK 49 100 55 90 3.0-5.1 493/1.8=59, 492/6238=42...(8) HA GLU 104 - HB3 GLU 95 poor 13 52 25 - 3.2-11.8 HA MET 1 - HB3 GLN 50 far 0 80 0 - 5.1-9.5 HA GLU 99 - HB3 GLU 95 far 0 48 0 - 5.5-7.0 HA GLU 98 - HB3 GLU 95 far 0 45 0 - 7.3-8.3 HA LYS 47 - HB3 GLN 50 far 0 77 0 - 8.0-10.4 Violated in 0 structures by 0.00 A. Peak 704 from cnoeabs.peaks (8.02, 2.17, 29.20 ppm; 3.41 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.4-3.6 6238=100, 6237/1.8=78...(18) H GLY 101 - HB3 GLU 95 far 0 72 0 - 5.9-9.6 H LYS 90 - HB3 GLU 16 far 0 77 0 - 8.5-10.8 H ARG 46 - HB3 GLN 50 far 0 79 0 - 9.3-11.7 Violated in 10 structures by 0.08 A. Peak 705 from cnoeabs.peaks (4.04, 2.17, 29.20 ppm; 3.15 A): 4 out of 9 assignments used, quality = 1.00: * HA GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.2-3.0 3.0=100 HA LYS 20 + HB3 GLU 23 OK 81 94 100 86 2.1-4.1 857=36, 856/1.8=36...(8) HA GLU 17 + HB3 GLU 16 OK 81 99 95 86 4.2-5.1 2.9/710=33, ~6250=26...(15) HA GLU 95 + HB3 GLU 95 OK 59 59 100 100 2.4-2.7 3.0=100 HB2 SER 49 - HB3 GLN 50 far 0 75 0 - 5.0-6.8 HA ARG 46 - HB3 GLN 50 far 0 56 0 - 6.6-9.7 HA LYS 20 - HB3 GLU 16 far 0 100 0 - 6.8-8.7 HA GLU 17 - HB3 GLU 23 far 0 94 0 - 7.7-10.2 HA GLU 16 - HB3 GLU 23 far 0 95 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 706 from cnoeabs.peaks (2.08, 2.17, 29.20 ppm; 2.40 A): 2 out of 20 assignments used, quality = 1.00: * HB2 GLU 16 + HB3 GLU 16 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 23 + HB3 GLU 23 OK 92 92 100 100 1.8-1.8 1.8=100 HB3 GLU 48 - HB3 GLN 50 poor 12 58 20 - 3.0-10.3 HB3 GLU 99 - HB3 GLU 95 far 2 38 5 - 3.5-5.8 HB2 GLU 99 - HB3 GLU 95 far 0 46 0 - 4.1-6.1 HG3 GLU 104 - HB3 GLU 95 far 0 59 0 - 4.4-12.5 HB2 GLU 98 - HB3 GLU 95 far 0 48 0 - 4.7-5.7 HG2 GLU 28 - HB3 GLU 23 far 0 91 0 - 5.6-9.5 QE MET 21 - HB3 GLU 23 far 0 80 0 - 6.2-7.6 HB3 PRO 86 - HB3 GLU 16 far 0 79 0 - 6.2-9.3 HG3 GLU 28 - HB3 GLU 23 far 0 91 0 - 6.2-9.3 HB3 GLU 98 - HB3 GLU 95 far 0 46 0 - 6.3-7.4 HB2 MET 21 - HB3 GLU 23 far 0 77 0 - 6.5-8.4 QE MET 21 - HB3 GLU 95 far 0 58 0 - 7.1-9.0 HG12 ILE 93 - HB3 GLU 95 far 0 38 0 - 8.3-9.9 HG12 ILE 93 - HB3 GLU 23 far 0 54 0 - 8.5-10.2 HB2 MET 21 - HB3 GLU 16 far 0 85 0 - 8.9-10.6 HB2 GLU 16 - HB3 GLU 23 far 0 95 0 - 9.2-11.9 HB2 GLU 23 - HB3 GLU 16 far 0 99 0 - 9.2-12.6 QE MET 21 - HB3 GLU 16 far 0 88 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 707 from cnoeabs.peaks (2.17, 2.17, 29.20 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 16 + HB3 GLU 16 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 91 91 - 100 HB3 GLN 50 + HB3 GLN 50 OK 78 78 - 100 HB3 GLU 95 + HB3 GLU 95 OK 72 72 - 100 Peak 708 from cnoeabs.peaks (2.34, 2.17, 29.20 ppm; 3.16 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 GLU 48 - HB3 GLN 50 far 0 80 0 - 5.5-11.0 HD3 ARG 81 - HB3 GLU 95 far 0 49 0 - 8.4-12.1 HG2 GLU 16 - HB3 GLU 23 far 0 95 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 709 from cnoeabs.peaks (2.30, 2.17, 29.20 ppm; 2.97 A): 3 out of 7 assignments used, quality = 1.00: * HG3 GLU 16 + HB3 GLU 16 OK 100 100 100 100 2.2-3.0 3.0=96, 6240/6238=38...(28) HG2 GLU 23 + HB3 GLU 23 OK 72 72 100 100 2.5-3.0 2.9=100 HG2 GLU 95 + HB3 GLU 95 OK 53 53 100 100 2.6-3.0 2.9=100 HB2 GLU 48 - HB3 GLN 50 poor 17 80 40 53 3.4-10.8 2233/1.8=15...(11) HG2 GLU 48 - HB3 GLN 50 far 0 47 0 - 5.5-11.0 HD3 ARG 81 - HB3 GLU 95 far 0 70 0 - 8.4-12.1 HG2 GLU 23 - HB3 GLU 16 far 0 81 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 710 from cnoeabs.peaks (8.06, 2.17, 29.20 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 17 + HB3 GLU 16 OK 99 100 100 99 2.2-3.9 6250/1.8=80, 6251=69...(14) H ILE 15 + HB3 GLU 16 OK 31 99 40 79 4.9-6.5 4.6/6238=37, 6251=26...(9) H SER 102 - HB3 GLU 95 far 0 73 0 - 5.1-11.7 H LYS 13 - HB3 GLU 16 far 0 98 0 - 5.2-7.3 H LYS 90 - HB3 GLU 16 far 0 95 0 - 8.5-10.8 H GLU 75 - HB3 GLN 50 far 0 75 0 - 9.4-16.0 H GLU 17 - HB3 GLU 23 far 0 95 0 - 9.5-11.6 Violated in 2 structures by 0.02 A. Peak 711 from cnoeabs.peaks (8.02, 2.34, 36.00 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 16 + HG2 GLU 16 OK 100 100 100 100 2.4-4.0 6239=100, 6240/1.8=81...(13) H ARG 46 + HG2 GLU 48 OK 20 81 40 62 4.8-6.4 6761/9029=26...(9) H ARG 46 - HG3 GLU 44 far 7 72 10 - 4.5-7.1 H ARG 46 - HG3 GLU 43 far 0 61 0 - 5.3-6.5 H LYS 90 - HG2 GLU 16 far 0 77 0 - 8.8-11.4 Violated in 1 structures by 0.00 A. Peak 712 from cnoeabs.peaks (4.04, 2.34, 36.00 ppm; 3.31 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 16 + HG2 GLU 16 OK 100 100 100 100 2.4-3.7 689=71, 3.0/6239=48...(26) HA LYS 66 + HG3 GLU 69 OK 28 69 70 57 3.8-5.7 7119/7136=26...(6) HA ARG 46 - HG2 GLU 48 poor 18 58 30 - 4.3-6.3 HB2 SER 49 - HG2 GLU 48 far 12 78 15 - 4.1-7.7 HA GLU 17 - HG2 GLU 16 far 5 99 5 - 2.8-6.5 HA LEU 70 - HG3 GLU 69 far 4 83 5 - 4.6-6.5 HA LYS 20 - HG2 GLU 16 far 0 100 0 - 6.7-9.5 HA ARG 46 - HG3 GLU 43 far 0 42 0 - 6.8-8.6 HA ARG 46 - HG3 GLU 44 far 0 50 0 - 7.2-9.8 HA LEU 70 - HG3 GLU 43 far 0 47 0 - 7.3-8.7 Violated in 1 structures by 0.02 A. Peak 713 from cnoeabs.peaks (2.08, 2.34, 36.00 ppm; 2.86 A): 3 out of 23 assignments used, quality = 1.00: * HB2 GLU 16 + HG2 GLU 16 OK 98 100 100 98 2.3-3.0 3.0=85, 6237/6239=33...(16) HB3 GLU 48 + HG2 GLU 48 OK 58 60 100 97 2.3-3.0 3.0=85, ~2253=24...(14) HB3 GLU 43 + HG3 GLU 43 OK 58 59 100 97 2.7-2.9 3.0=86, 6694/6696=31...(26) HB2 MET 74 - HG3 GLU 43 poor 8 58 55 24 3.0-5.8 4.2/10280=21, 10860/3.7=3 HB3 GLU 43 - HG3 GLU 44 far 7 70 10 - 3.3-5.6 HB3 PRO 86 - HG2 GLU 16 far 0 79 0 - 7.1-10.2 HB3 GLU 48 - HG3 GLU 44 far 0 52 0 - 7.2-12.0 HB3 LEU 38 - HG3 GLU 43 far 0 62 0 - 7.3-9.7 HB3 GLU 35 - HG3 GLU 69 far 0 99 0 - 7.9-10.8 HB2 LEU 64 - HG3 GLU 69 far 0 61 0 - 8.0-11.1 HB3 GLU 62 - HG3 GLU 69 far 0 96 0 - 8.5-12.0 HG2 GLU 28 - HG3 GLU 44 far 0 69 0 - 8.5-13.5 HB3 LEU 38 - HG3 GLU 69 far 0 99 0 - 8.8-11.6 HB2 MET 74 - HG3 GLU 44 far 0 68 0 - 8.9-11.8 QE MET 21 - HG2 GLU 16 far 0 88 0 - 9.1-11.7 HB2 MET 21 - HG2 GLU 16 far 0 85 0 - 9.1-12.1 HB3 GLU 43 - HG2 GLU 48 far 0 79 0 - 9.1-11.1 HB2 MET 74 - HG2 GLU 48 far 0 78 0 - 9.3-12.9 HG2 GLU 28 - HG2 GLU 48 far 0 78 0 - 9.5-14.7 HG3 GLU 28 - HG2 GLU 48 far 0 78 0 - 9.5-13.3 HG3 GLU 28 - HG3 GLU 44 far 0 69 0 - 9.8-13.6 HG3 GLU 37 - HG3 GLU 43 far 0 36 0 - 9.9-11.5 HB3 GLU 48 - HG3 GLU 43 far 0 44 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 714 from cnoeabs.peaks (2.17, 2.34, 36.00 ppm; 2.41 A): 6 out of 24 assignments used, quality = 1.00: * HB3 GLU 16 + HG2 GLU 16 OK 90 100 100 90 2.5-2.9 3.0=52, 1.8/700=24...(15) HG2 GLU 69 + HG3 GLU 69 OK 57 57 100 100 1.8-1.8 1.8=100 HG2 GLU 43 + HG3 GLU 43 OK 49 49 100 100 1.8-1.8 1.8=100 HB2 GLU 69 + HG3 GLU 69 OK 48 57 100 85 2.2-2.9 3.0=53, 3.0/3118=26...(11) HB3 GLU 69 + HG3 GLU 69 OK 48 57 100 85 2.7-3.0 3.0=53, 3.0/3118=26...(11) HG2 GLU 44 + HG3 GLU 44 OK 48 48 100 100 1.8-1.8 1.8=100 HB2 GLN 72 - HG3 GLU 69 far 0 99 0 - 5.3-8.1 HG2 GLU 43 - HG3 GLU 44 far 0 58 0 - 5.4-7.8 HB3 GLN 50 - HG2 GLU 48 far 0 80 0 - 5.5-11.0 HG2 GLU 44 - HG3 GLU 43 far 0 40 0 - 5.8-8.3 HG2 GLU 44 - HG2 GLU 48 far 0 55 0 - 5.9-11.0 HG3 GLU 35 - HG3 GLU 69 far 0 73 0 - 7.1-11.2 HG2 GLU 35 - HG3 GLU 69 far 0 73 0 - 7.8-12.0 HB2 GLU 75 - HG3 GLU 43 far 0 41 0 - 8.3-10.0 HG2 GLU 35 - HG3 GLU 43 far 0 40 0 - 8.3-11.3 HG3 GLU 75 - HG3 GLU 43 far 0 60 0 - 8.4-10.6 HG3 GLU 35 - HG3 GLU 43 far 0 40 0 - 8.8-11.0 HG2 MET 1 - HG2 GLU 48 far 0 52 0 - 8.8-12.9 HB2 GLU 75 - HG2 GLU 48 far 0 57 0 - 8.9-14.1 HG2 GLU 75 - HG3 GLU 43 far 0 61 0 - 9.0-12.1 HG3 PRO 86 - HG2 GLU 16 far 0 77 0 - 9.1-12.0 HB3 GLU 23 - HG2 GLU 16 far 0 98 0 - 9.3-11.8 HB3 GLU 75 - HG3 GLU 43 far 0 48 0 - 9.7-11.4 HB3 GLU 75 - HG2 GLU 48 far 0 66 0 - 10.0-15.0 Violated in 0 structures by 0.00 A. Peak 715 from cnoeabs.peaks (2.34, 2.34, 36.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLU 16 + HG2 GLU 16 OK 100 100 - 100 HG3 GLU 69 + HG3 GLU 69 OK 99 99 - 100 HG2 GLU 48 + HG2 GLU 48 OK 82 82 - 100 HG3 GLU 44 + HG3 GLU 44 OK 67 67 - 100 HG3 GLU 43 + HG3 GLU 43 OK 56 56 - 100 Peak 716 from cnoeabs.peaks (2.30, 2.34, 36.00 ppm; 2.40 A): 2 out of 12 assignments used, quality = 1.00: * HG3 GLU 16 + HG2 GLU 16 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 48 + HG2 GLU 48 OK 75 83 100 90 2.5-3.0 3.0=51, 2253/1.8=34...(17) HB2 TYR 41 - HG3 GLU 44 far 0 66 0 - 5.7-9.0 HG3 GLU 43 - HG3 GLU 44 far 0 57 0 - 5.9-8.1 HG2 GLU 48 - HG3 GLU 44 far 0 42 0 - 6.7-10.3 HB2 TYR 41 - HG3 GLU 43 far 0 56 0 - 6.8-7.6 HB2 TYR 4 - HG3 GLU 44 far 0 72 0 - 6.9-12.2 HB2 TYR 4 - HG2 GLU 48 far 0 81 0 - 7.5-11.1 HG3 GLU 62 - HG3 GLU 69 far 0 65 0 - 7.6-10.7 HB2 GLU 48 - HG3 GLU 44 far 0 73 0 - 8.5-11.4 HG2 GLU 62 - HG3 GLU 69 far 0 65 0 - 9.1-11.9 HG2 GLU 23 - HG2 GLU 16 far 0 81 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 717 from cnoeabs.peaks (8.06, 2.34, 36.00 ppm; 3.98 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 17 + HG2 GLU 16 OK 99 100 100 99 2.6-4.5 6250/3.0=72, 3.6/689=56...(16) H ILE 15 + HG2 GLU 16 OK 71 99 90 80 4.9-6.6 4.6/6239=43, 6253/1.8=33...(7) H LYS 13 - HG2 GLU 16 far 15 98 15 - 4.9-7.4 H LYS 39 - HG3 GLU 43 far 0 52 0 - 5.6-6.5 H GLU 75 - HG3 GLU 43 far 0 58 0 - 7.2-8.7 H LYS 90 - HG2 GLU 16 far 0 95 0 - 8.8-11.4 H GLU 75 - HG3 GLU 69 far 0 96 0 - 8.9-11.2 H LYS 39 - HG3 GLU 44 far 0 62 0 - 8.9-12.0 Violated in 19 structures by 0.14 A. Peak 718 from cnoeabs.peaks (8.02, 2.30, 36.00 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 16 + HG3 GLU 16 OK 100 100 100 100 2.4-3.2 6240=100, 6239/1.8=84...(12) H ARG 46 - HG3 GLU 43 far 5 47 10 - 5.3-6.5 H LYS 90 - HG3 GLU 16 far 0 77 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 719 from cnoeabs.peaks (4.04, 2.30, 36.00 ppm; 3.71 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 16 + HG3 GLU 16 OK 100 100 100 100 2.6-3.8 4.1=75, 689/1.8=74...(23) HA LYS 20 + HG2 GLU 23 OK 44 48 100 91 3.4-4.9 10471/1.8=47, 856/2.9=35...(10) HA GLU 17 - HG3 GLU 16 far 5 99 5 - 3.5-6.5 HB3 SER 59 - HG2 GLU 63 far 0 99 0 - 5.8-7.6 HA ARG 46 - HG3 GLU 43 far 0 32 0 - 6.8-8.6 HA LEU 70 - HG3 GLU 43 far 0 36 0 - 7.3-8.7 HA LYS 66 - HG2 GLU 63 far 0 71 0 - 7.7-8.4 HA GLU 16 - HG2 GLU 23 far 0 50 0 - 7.8-9.8 HA LYS 20 - HG3 GLU 16 far 0 100 0 - 8.2-10.2 HA GLU 17 - HG2 GLU 23 far 0 48 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 720 from cnoeabs.peaks (2.08, 2.30, 36.00 ppm; 3.00 A): 3 out of 19 assignments used, quality = 1.00: * HB2 GLU 16 + HG3 GLU 16 OK 100 100 100 100 2.2-2.8 3.0=99, 6237/6240=37...(17) HB2 GLU 23 + HG2 GLU 23 OK 47 47 100 100 2.4-2.9 2.9=100 HB3 GLU 43 + HG3 GLU 43 OK 45 46 100 100 2.7-2.9 3.0=100 HB2 MET 74 - HG3 GLU 43 poor 8 45 60 29 3.0-5.8 4.2/10280=23...(4) HG2 GLU 28 - HG2 GLU 23 far 7 46 15 - 2.9-8.3 HG3 GLU 28 - HG2 GLU 23 far 7 46 15 - 3.8-9.2 HB3 GLU 62 - HG2 GLU 63 far 5 97 5 - 3.5-5.4 HB2 LEU 64 - HG2 GLU 63 far 0 63 0 - 4.6-6.0 HB3 PRO 86 - HG3 GLU 16 far 0 79 0 - 6.0-9.9 QE MET 21 - HG2 GLU 23 far 0 38 0 - 6.4-8.1 HB3 LEU 38 - HG3 GLU 43 far 0 48 0 - 7.3-9.7 HB2 MET 21 - HG2 GLU 23 far 0 37 0 - 7.3-8.8 HB3 GLU 35 - HG2 GLU 63 far 0 100 0 - 7.8-11.7 HG12 ILE 93 - HG2 GLU 23 far 0 24 0 - 8.0-11.0 HB3 LEU 38 - HG2 GLU 63 far 0 100 0 - 8.7-11.7 QE MET 21 - HG3 GLU 16 far 0 88 0 - 9.8-12.2 HB2 MET 21 - HG3 GLU 16 far 0 85 0 - 9.9-12.5 HG3 GLU 37 - HG3 GLU 43 far 0 27 0 - 9.9-11.5 HB3 GLU 48 - HG3 GLU 43 far 0 33 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 721 from cnoeabs.peaks (2.17, 2.30, 36.00 ppm; 2.62 A): 4 out of 14 assignments used, quality = 0.99: * HB3 GLU 16 + HG3 GLU 16 OK 94 100 100 94 2.2-3.0 3.0=66, 6238/6240=29...(15) HB2 GLU 63 + HG2 GLU 63 OK 62 73 100 85 2.6-3.0 3.0=67, ~2767=15...(11) HB3 GLU 23 + HG2 GLU 23 OK 43 46 100 93 2.5-3.0 2.9=75, 1.8/1024=25...(12) HG2 GLU 43 + HG3 GLU 43 OK 37 37 100 100 1.8-1.8 1.8=100 HG2 GLU 44 - HG3 GLU 43 far 0 30 0 - 5.8-8.3 HG3 PRO 86 - HG3 GLU 16 far 0 77 0 - 7.9-11.6 HB2 GLU 75 - HG3 GLU 43 far 0 31 0 - 8.3-10.0 HG2 GLU 35 - HG3 GLU 43 far 0 30 0 - 8.3-11.3 HG3 GLU 75 - HG3 GLU 43 far 0 46 0 - 8.4-10.6 HG3 GLU 35 - HG3 GLU 43 far 0 30 0 - 8.8-11.0 HB3 GLU 16 - HG2 GLU 23 far 0 50 0 - 9.0-12.0 HG2 GLU 75 - HG3 GLU 43 far 0 47 0 - 9.0-12.1 HG3 GLU 35 - HG2 GLU 63 far 0 75 0 - 9.0-12.8 HB3 GLU 75 - HG3 GLU 43 far 0 36 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 722 from cnoeabs.peaks (2.34, 2.30, 36.00 ppm; 2.40 A): 1 out of 4 assignments used, quality = 1.00: * HG2 GLU 16 + HG3 GLU 16 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 - HG3 GLU 43 far 0 43 0 - 5.9-8.1 HB2 TYR 41 - HG3 GLU 43 far 0 36 0 - 6.8-7.6 HG2 GLU 16 - HG2 GLU 23 far 0 50 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 723 from cnoeabs.peaks (2.30, 2.30, 36.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 16 + HG3 GLU 16 OK 100 100 - 100 HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 HG3 GLU 43 + HG3 GLU 43 OK 36 36 - 100 HG2 GLU 23 + HG2 GLU 23 OK 34 34 - 100 Peak 724 from cnoeabs.peaks (8.06, 2.30, 36.00 ppm; 4.13 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 17 + HG3 GLU 16 OK 100 100 100 100 1.9-4.4 6250/3.0=76, 6253=55...(17) H ILE 15 + HG3 GLU 16 OK 86 99 100 88 4.8-5.5 4.6/6240=47, 6253=45...(7) H LYS 13 + HG3 GLU 16 OK 69 98 95 74 4.4-5.7 ~493=30, 2.9/8479=22...(9) H LYS 39 - HG3 GLU 43 far 2 40 5 - 5.6-6.5 H GLU 75 - HG3 GLU 43 far 0 45 0 - 7.2-8.7 H LYS 90 - HG3 GLU 16 far 0 95 0 - 8.3-11.8 Violated in 0 structures by 0.00 A. Peak 725 from cnoeabs.peaks (8.06, 4.05, 58.64 ppm; 3.41 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 17 + HA GLU 17 OK 100 100 100 100 2.7-2.8 2.9=100 H GLU 17 + HA GLU 16 OK 55 55 100 99 3.6-3.6 3.6=87, 6250/3.0=55...(23) H ILE 15 - HA GLU 16 far 0 52 0 - 5.3-5.5 H LYS 90 - HA GLU 17 far 0 95 0 - 6.0-7.5 H ILE 15 - HA GLU 17 far 0 99 0 - 7.0-7.3 H LYS 13 - HA GLU 16 far 0 52 0 - 7.1-7.5 H LYS 39 - HA LYS 66 far 0 49 0 - 7.7-9.4 H LYS 13 - HA GLU 17 far 0 98 0 - 8.3-9.2 H LYS 90 - HA GLU 16 far 0 48 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 726 from cnoeabs.peaks (4.05, 4.05, 58.64 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 17 + HA GLU 17 OK 100 100 - 100 HA GLU 16 + HA GLU 16 OK 54 54 - 100 HA LYS 66 + HA LYS 66 OK 44 44 - 100 Peak 727 from cnoeabs.peaks (1.94, 4.05, 58.64 ppm; 2.96 A): 2 out of 16 assignments used, quality = 1.00: * HB2 GLU 17 + HA GLU 17 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 19 + HA GLU 16 OK 38 52 100 74 2.5-4.2 798=24, 1.8/788=15...(13) HB3 LYS 20 - HA GLU 17 far 10 100 10 - 3.8-5.2 HB3 ARG 19 - HA GLU 17 far 0 98 0 - 5.2-7.3 HB2 GLU 17 - HA GLU 16 far 0 55 0 - 5.8-6.6 HB3 LYS 20 - HA GLU 16 far 0 54 0 - 6.5-7.4 HB2 LYS 13 - HA GLU 17 far 0 85 0 - 6.7-7.6 HB3 LEU 14 - HA GLU 16 far 0 26 0 - 7.6-7.9 HB2 LYS 13 - HA GLU 16 far 0 41 0 - 7.6-8.1 HB3 LYS 13 - HA GLU 17 far 0 82 0 - 7.8-8.8 HB3 LYS 13 - HA GLU 16 far 0 39 0 - 8.1-8.4 HB3 LEU 14 - HA GLU 17 far 0 59 0 - 8.1-8.4 HB3 LYS 24 - HA GLU 17 far 0 91 0 - 8.1-9.1 HB2 LYS 24 - HA GLU 17 far 0 91 0 - 8.1-9.3 HB2 LYS 73 - HA LYS 66 far 0 52 0 - 8.9-10.2 HB VAL 32 - HA LYS 66 far 0 59 0 - 9.0-10.2 Violated in 1 structures by 0.00 A. Peak 728 from cnoeabs.peaks (2.01, 4.05, 58.64 ppm; 3.42 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 17 + HA GLU 17 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 GLU 35 - HA LYS 66 far 3 59 5 - 4.5-6.9 HB3 GLU 17 - HA GLU 16 far 0 55 0 - 5.8-6.6 HB2 GLU 62 - HA LYS 66 far 0 57 0 - 7.1-8.4 QE MET 74 - HA LYS 66 far 0 58 0 - 7.3-10.6 HG12 ILE 93 - HA GLU 17 far 0 75 0 - 8.9-10.7 HG12 ILE 93 - HA GLU 16 far 0 35 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 729 from cnoeabs.peaks (2.24, 4.05, 58.64 ppm; 3.84 A): 1 out of 8 assignments used, quality = 1.00: * HG2 GLU 17 + HA GLU 17 OK 100 100 100 100 2.6-3.8 3.9=92, 748/2.9=76...(15) HG3 GLU 62 - HA LYS 66 poor 15 50 65 46 5.1-7.4 12287/3.0=14, ~12287=11...(7) HG2 GLU 17 - HA GLU 16 far 8 55 15 - 5.2-7.2 HG2 GLU 62 - HA LYS 66 far 0 50 0 - 6.3-8.6 HG2 GLU 23 - HA GLU 16 far 0 40 0 - 7.8-9.8 HB3 GLN 72 - HA LYS 66 far 0 57 0 - 8.4-10.1 HG2 GLU 23 - HA GLU 17 far 0 84 0 - 8.7-10.3 HG2 GLU 37 - HA LYS 66 far 0 54 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 730 from cnoeabs.peaks (2.43, 4.05, 58.64 ppm; 3.92 A): 2 out of 8 assignments used, quality = 1.00: * HG3 GLU 17 + HA GLU 17 OK 100 100 100 100 2.7-3.9 3.9=98, 1.8/729=67...(19) HB3 MET 21 + HA GLU 17 OK 25 77 80 40 4.7-6.3 4.0/6318=21, 6271/3.6=9...(8) HG3 MET 21 - HA GLU 17 poor 17 79 65 33 4.0-8.0 5.1/6318=15, 741/2.9=5...(10) HG3 GLU 17 - HA GLU 16 poor 14 55 25 - 5.2-6.8 HB3 MET 21 - HA GLU 16 far 0 36 0 - 7.4-9.4 HG2 GLN 72 - HA LYS 66 far 0 58 0 - 7.5-9.5 HG3 MET 21 - HA GLU 16 far 0 37 0 - 8.0-10.1 HB2 ASP 11 - HA GLU 16 far 0 55 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 731 from cnoeabs.peaks (8.65, 4.05, 58.64 ppm; 4.22 A): 2 out of 3 assignments used, quality = 1.00: * H ALA 18 + HA GLU 17 OK 100 100 100 100 3.5-3.5 3.6=100 H ALA 18 + HA GLU 16 OK 54 55 100 98 4.0-4.3 6259/3.6=70, 6242/3.0=51...(13) H ASP 11 - HA GLU 16 far 0 47 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 732 from cnoeabs.peaks (7.79, 4.05, 58.64 ppm; 3.51 A): 3 out of 5 assignments used, quality = 0.98: * H LYS 20 + HA GLU 17 OK 90 100 100 90 3.6-4.0 6294=32, 6296/3.6=30...(15) H LYS 66 + HA LYS 66 OK 56 56 100 100 2.8-2.8 3.0=100 H LYS 20 + HA GLU 16 OK 46 55 100 83 3.9-4.5 6294=30, 6291/6278=25...(14) HE ARG 30 - HA GLU 16 far 0 55 0 - 8.9-14.6 H SER 9 - HA GLU 16 far 0 47 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 733 from cnoeabs.peaks (1.89, 4.05, 58.64 ppm; 3.23 A): 3 out of 20 assignments used, quality = 0.74: HB2 ARG 19 + HA GLU 16 OK 44 55 95 84 2.3-4.8 1.8/798=28, 788=20...(16) HB3 LYS 66 + HA LYS 66 OK 41 41 100 100 3.0-3.0 3.0=100 * HB2 LYS 20 + HA GLU 17 OK 23 100 30 75 3.6-5.0 860=19, 3.0/894=19...(15) HB2 ARG 19 - HA GLU 17 far 0 100 0 - 5.1-6.8 HB3 LYS 68 - HA LYS 66 far 0 51 0 - 5.1-5.6 HB2 LYS 20 - HA GLU 16 far 0 55 0 - 5.3-6.5 HB2 LYS 12 - HA GLU 16 far 0 41 0 - 5.8-7.2 HB2 LYS 13 - HA GLU 17 far 0 82 0 - 6.7-7.6 HB3 LYS 12 - HA GLU 16 far 0 43 0 - 6.9-8.1 HB3 LEU 14 - HA GLU 16 far 0 51 0 - 7.6-7.9 HB2 LYS 13 - HA GLU 16 far 0 39 0 - 7.6-8.1 HB3 LYS 13 - HA GLU 17 far 0 85 0 - 7.8-8.8 HB3 LYS 13 - HA GLU 16 far 0 41 0 - 8.1-8.4 HB3 LEU 14 - HA GLU 17 far 0 98 0 - 8.1-8.4 HB3 LYS 39 - HA LYS 66 far 0 42 0 - 8.2-11.6 HB2 LYS 12 - HA GLU 17 far 0 85 0 - 8.9-10.6 HB ILE 8 - HA LYS 66 far 0 58 0 - 9.0-10.2 HB3 LYS 12 - HA GLU 17 far 0 88 0 - 9.4-11.3 HG LEU 42 - HA LYS 66 far 0 58 0 - 9.7-11.2 HB VAL 5 - HA GLU 16 far 0 38 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 734 from cnoeabs.peaks (1.93, 4.05, 58.64 ppm; 3.07 A): 2 out of 18 assignments used, quality = 1.00: HB2 GLU 17 + HA GLU 17 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ARG 19 + HA GLU 16 OK 43 55 100 79 2.5-4.2 798=27, 799/6278=16...(14) ! HB3 LYS 20 - HA GLU 17 far 10 100 10 - 3.8-5.2 HB3 ARG 19 - HA GLU 17 far 0 100 0 - 5.2-7.3 HB2 GLU 17 - HA GLU 16 far 0 54 0 - 5.8-6.6 HB3 LYS 20 - HA GLU 16 far 0 55 0 - 6.5-7.4 HB2 LYS 13 - HA GLU 17 far 0 94 0 - 6.7-7.6 HB3 LEU 14 - HA GLU 16 far 0 34 0 - 7.6-7.9 HB2 LYS 13 - HA GLU 16 far 0 47 0 - 7.6-8.1 HB3 LYS 13 - HA GLU 17 far 0 92 0 - 7.8-8.8 HB3 LYS 13 - HA GLU 16 far 0 46 0 - 8.1-8.4 HB3 LEU 14 - HA GLU 17 far 0 73 0 - 8.1-8.4 HB3 LYS 24 - HA GLU 17 far 0 81 0 - 8.1-9.1 HB2 LYS 24 - HA GLU 17 far 0 81 0 - 8.1-9.3 HB2 LYS 73 - HA LYS 66 far 0 46 0 - 8.9-10.2 HB VAL 32 - HA LYS 66 far 0 58 0 - 9.0-10.2 HB ILE 8 - HA LYS 66 far 0 28 0 - 9.0-10.2 HG LEU 42 - HA LYS 66 far 0 29 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 735 from cnoeabs.peaks (3.68, 1.94, 29.01 ppm; 4.88 A): 2 out of 3 assignments used, quality = 1.00: * HA LEU 14 + HB2 GLU 17 OK 100 100 100 100 2.6-4.9 593/1.8=74, 8477/3.0=63...(19) HA LYS 90 + HB2 GLU 17 OK 80 98 90 91 4.2-6.7 4.0/12027=56, 3.0/736=29...(14) HA GLU 88 - HB2 GLU 17 far 0 88 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 736 from cnoeabs.peaks (8.06, 1.94, 29.01 ppm; 4.05 A): 3 out of 4 assignments used, quality = 1.00: * H GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.5-3.6 4.0=100 H LYS 90 + HB2 GLU 17 OK 76 95 95 85 3.8-5.6 7420/12027=39...(16) H ILE 15 + HB2 GLU 17 OK 35 99 65 54 5.2-7.5 3.6/735=23, 6266/6268=17...(9) H LYS 13 - HB2 GLU 17 far 0 98 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 737 from cnoeabs.peaks (4.05, 1.94, 29.01 ppm; 3.85 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.3-3.0 2.9=100 HA PRO 86 + HB2 GLU 17 OK 35 63 85 65 3.5-6.1 ~12333=14, 3.5/9902=12...(18) HA GLU 16 - HB2 GLU 17 far 0 99 0 - 5.8-6.6 HA LYS 20 - HB2 GLU 17 far 0 100 0 - 7.7-8.6 Violated in 0 structures by 0.00 A. Peak 738 from cnoeabs.peaks (1.94, 1.94, 29.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 17 + HB2 GLU 17 OK 100 100 - 100 Peak 739 from cnoeabs.peaks (2.01, 1.94, 29.01 ppm; 2.77 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 17 + HB2 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 93 - HB2 GLU 17 far 0 75 0 - 7.8-10.6 HB3 LYS 94 - HB2 GLU 17 far 0 96 0 - 9.0-13.5 Violated in 0 structures by 0.00 A. Peak 740 from cnoeabs.peaks (2.24, 1.94, 29.01 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 741 from cnoeabs.peaks (2.43, 1.94, 29.01 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 17 + HB2 GLU 17 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 MET 21 - HB2 GLU 17 poor 10 79 50 24 3.5-8.6 730/2.9=7, 8548/735=5...(6) HB3 MET 21 - HB2 GLU 17 poor 8 77 35 29 4.7-7.0 730/2.9=10, 6271/742=7...(7) HB2 ASP 11 - HB2 GLU 17 far 0 100 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 742 from cnoeabs.peaks (8.65, 1.94, 29.01 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 18 + HB2 GLU 17 OK 100 100 100 100 2.6-4.1 6269/1.8=94, 4.6=88...(19) H ASP 11 - HB2 GLU 17 far 0 94 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 743 from cnoeabs.peaks (3.68, 2.01, 29.01 ppm; 4.84 A): 4 out of 8 assignments used, quality = 1.00: * HA LEU 14 + HB3 GLU 17 OK 100 100 100 100 2.9-4.5 593=76, 8477/748=63...(18) HA LYS 90 + HB3 GLU 17 OK 87 98 95 94 4.6-6.4 4.0/12029=39...(11) HA LEU 42 + HB2 GLU 44 OK 46 51 95 96 4.6-6.6 10343=55, 6719/4.7=51...(12) HA LEU 42 + HB3 GLU 44 OK 29 51 60 94 5.0-6.8 10343/1.8=61...(8) HA GLU 37 - HB2 GLU 44 far 0 46 0 - 7.4-11.5 HA GLU 37 - HB2 GLU 35 far 0 47 0 - 7.5-8.5 HA GLU 88 - HB3 GLU 17 far 0 88 0 - 8.4-10.6 HA GLU 37 - HB3 GLU 44 far 0 46 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 744 from cnoeabs.peaks (8.06, 2.01, 29.01 ppm; 3.96 A): 2 out of 7 assignments used, quality = 1.00: * H GLU 17 + HB3 GLU 17 OK 100 100 100 100 2.6-3.6 6256=100, 6257/748=66...(16) H LYS 90 + HB3 GLU 17 OK 62 95 80 82 3.8-5.8 7420/12029=27...(13) H ILE 15 - HB3 GLU 17 far 5 99 5 - 5.4-7.3 H LYS 39 - HB2 GLU 35 far 0 54 0 - 5.6-6.6 H LYS 13 - HB3 GLU 17 far 0 98 0 - 7.5-9.3 H LYS 39 - HB2 GLU 44 far 0 53 0 - 8.8-11.7 H LYS 39 - HB3 GLU 44 far 0 53 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 745 from cnoeabs.peaks (4.05, 2.01, 29.01 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 17 + HB3 GLU 17 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 SER 49 + HB2 GLN 50 OK 25 87 35 81 4.7-6.7 ~9051=24, 4.3/6813=23...(14) HA PRO 86 - HB3 GLU 17 poor 19 63 50 58 3.3-5.8 737/1.8=18, 9885/593=15...(13) HA LYS 66 - HB2 GLU 35 far 5 48 10 - 4.5-6.9 HA GLU 16 - HB3 GLU 17 far 0 99 0 - 5.8-6.6 HA ARG 46 - HB2 GLN 50 far 0 74 0 - 6.0-9.1 HA LEU 70 - HB2 GLU 35 far 0 39 0 - 7.0-8.7 HA ARG 46 - HB2 GLU 44 far 0 52 0 - 7.5-8.3 HA ARG 46 - HB3 GLU 44 far 0 52 0 - 7.7-8.5 HA LYS 20 - HB3 GLU 17 far 0 100 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 746 from cnoeabs.peaks (1.94, 2.01, 29.01 ppm; 2.40 A): 1 out of 35 assignments used, quality = 1.00: * HB2 GLU 17 + HB3 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 43 - HB2 GLU 44 far 0 35 0 - 4.4-6.6 HB2 LYS 47 - HB3 GLU 44 far 0 45 0 - 4.9-8.3 HB2 LYS 47 - HB2 GLU 44 far 0 45 0 - 5.0-8.5 HB2 GLU 43 - HB3 GLU 44 far 0 35 0 - 5.2-6.6 HB3 LYS 47 - HB3 GLU 44 far 0 55 0 - 5.3-7.5 HB3 LEU 14 - HB3 GLU 17 far 0 59 0 - 5.7-7.4 HB2 LYS 13 - HB3 GLU 17 far 0 85 0 - 5.7-7.2 HB3 LYS 20 - HB3 GLU 17 far 0 100 0 - 5.7-7.7 HB3 LYS 47 - HB2 GLU 44 far 0 55 0 - 5.8-7.7 HB2 ARG 46 - HB2 GLN 50 far 0 56 0 - 6.1-11.4 HB3 ARG 46 - HB2 GLU 44 far 0 55 0 - 6.3-8.5 QE MET 1 - HB2 GLN 50 far 0 53 0 - 6.5-9.2 HB2 ARG 46 - HB2 GLU 44 far 0 38 0 - 6.6-9.0 HB2 ARG 46 - HB3 GLU 44 far 0 38 0 - 6.7-9.0 HB3 ARG 19 - HB3 GLU 17 far 0 98 0 - 6.8-8.9 HB3 ARG 46 - HB3 GLU 44 far 0 55 0 - 6.8-9.2 HB2 MET 1 - HB2 GLN 50 far 0 87 0 - 7.0-10.7 HB3 LYS 13 - HB3 GLU 17 far 0 82 0 - 7.2-8.7 HB2 GLU 37 - HB2 GLU 35 far 0 35 0 - 7.4-9.1 HB3 ARG 46 - HB2 GLN 50 far 0 78 0 - 7.7-11.3 HB VAL 32 - HB2 GLU 35 far 0 64 0 - 7.9-8.9 HB3 LYS 47 - HB2 GLN 50 far 0 79 0 - 7.9-11.3 HB2 LYS 47 - HB2 GLN 50 far 0 66 0 - 8.4-11.4 HB3 LYS 33 - HB2 GLU 35 far 0 47 0 - 8.5-8.9 HB3 MET 74 - HB2 GLU 44 far 0 52 0 - 8.5-10.8 HB3 LYS 24 - HB3 GLU 17 far 0 91 0 - 8.8-10.8 HG3 GLU 88 - HB3 GLU 17 far 0 100 0 - 8.9-11.4 HB2 GLU 37 - HB2 GLU 44 far 0 34 0 - 8.9-12.7 HB2 LYS 24 - HB3 GLU 17 far 0 91 0 - 9.2-11.6 HB2 LYS 73 - HB2 GLU 35 far 0 57 0 - 9.5-11.1 HB2 LYS 94 - HB3 GLU 17 far 0 93 0 - 9.5-12.4 HB2 LYS 33 - HB2 GLU 35 far 0 49 0 - 9.5-10.1 HB3 MET 74 - HB3 GLU 44 far 0 52 0 - 9.5-11.3 HB3 MET 74 - HB2 GLN 50 far 0 74 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 747 from cnoeabs.peaks (2.01, 2.01, 29.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 17 + HB3 GLU 17 OK 100 100 - 100 HB2 GLN 50 + HB2 GLN 50 OK 79 79 - 100 HB2 GLU 35 + HB2 GLU 35 OK 64 64 - 100 HB3 GLU 44 + HB3 GLU 44 OK 62 62 - 100 HB2 GLU 44 + HB2 GLU 44 OK 62 62 - 100 Peak 748 from cnoeabs.peaks (2.24, 2.01, 29.01 ppm; 2.91 A): 1 out of 4 assignments used, quality = 0.99: * HG2 GLU 17 + HB3 GLU 17 OK 99 100 100 99 2.2-3.0 3.0=91, 6257/6256=34...(14) HG3 GLU 62 - HB2 GLU 35 far 0 55 0 - 6.1-9.0 HG2 GLU 37 - HB2 GLU 35 far 0 59 0 - 6.4-8.5 HG2 GLU 62 - HB2 GLU 35 far 0 55 0 - 6.8-10.6 Violated in 2 structures by 0.01 A. Peak 749 from cnoeabs.peaks (2.43, 2.01, 29.01 ppm; 3.39 A): 3 out of 12 assignments used, quality = 1.00: * HG3 GLU 17 + HB3 GLU 17 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 50 + HB2 GLN 50 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 GLN 50 + HB2 GLN 50 OK 63 63 100 100 2.2-3.0 2.9=100 HG3 MET 21 - HB3 GLU 17 poor 9 79 50 23 3.6-8.1 730/2.9=5, 741/1.8=5...(7) HB3 MET 21 - HB3 GLU 17 far 8 77 10 - 4.9-6.0 HG3 GLU 48 - HB2 GLN 50 far 0 87 0 - 4.9-9.9 HG3 GLU 48 - HB3 GLU 44 far 0 63 0 - 5.5-9.6 HG3 GLU 48 - HB2 GLU 44 far 0 63 0 - 5.8-10.5 HG3 MET 1 - HB2 GLN 50 far 0 84 0 - 6.8-10.4 HB3 TYR 4 - HB2 GLU 44 far 0 43 0 - 6.9-9.3 HB3 TYR 4 - HB3 GLU 44 far 0 43 0 - 7.4-9.7 HB2 ASP 11 - HB3 GLU 17 far 0 100 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 750 from cnoeabs.peaks (8.65, 2.01, 29.01 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 18 + HB3 GLU 17 OK 100 100 100 100 2.6-3.9 6269=100, 6259/6256=84...(18) H ASP 11 - HB3 GLU 17 far 0 94 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 751 from cnoeabs.peaks (8.06, 2.24, 36.00 ppm; 3.85 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 17 + HG2 GLU 17 OK 100 100 100 100 1.8-3.7 6257=100, 6256/748=71...(12) H SER 102 - HG2 GLU 99 poor 17 75 65 35 2.0-9.0 12267/3.0=12...(4) H ILE 15 - HG2 GLU 17 far 5 99 5 - 5.3-7.2 H LYS 90 - HG2 GLU 17 far 5 95 5 - 5.3-7.4 H LYS 13 - HG2 GLU 17 far 0 98 0 - 6.2-7.9 H SER 102 - HG2 GLU 98 far 0 60 0 - 9.1-12.0 Violated in 0 structures by 0.00 A. Peak 752 from cnoeabs.peaks (4.05, 2.24, 36.00 ppm; 3.79 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 17 + HG2 GLU 17 OK 100 100 100 100 2.6-3.8 3.9=88, 2.9/748=75...(15) HA LYS 20 + HG2 GLU 23 OK 49 54 100 91 3.4-4.9 10471/1.8=49, 856/2.9=36...(10) HA GLU 95 - HG2 GLU 98 poor 20 39 50 - 4.3-5.8 HA PRO 86 - HG2 GLU 17 poor 18 63 45 64 4.4-6.3 ~12333=18, 9885/8477=15...(14) HA GLU 16 - HG2 GLU 17 far 15 99 15 - 5.2-7.2 HA GLU 95 - HG2 GLU 99 poor 15 51 80 36 2.7-6.9 7598/4.7=12, 759/1.8=8...(9) HA GLU 16 - HG2 GLU 23 far 0 53 0 - 7.8-9.8 HA LYS 20 - HG2 GLU 17 far 0 100 0 - 8.3-9.9 HA GLU 17 - HG2 GLU 23 far 0 54 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 753 from cnoeabs.peaks (1.94, 2.24, 36.00 ppm; 3.33 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 17 + HG2 GLU 17 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 LYS 13 + HG2 GLU 17 OK 23 85 60 46 3.5-5.2 760/1.8=18, ~3186=8...(9) HB3 ARG 19 - HG2 GLU 23 far 5 51 10 - 4.1-7.8 HB3 LYS 20 - HG2 GLU 23 far 3 53 5 - 4.7-7.4 HB3 LYS 24 - HG2 GLU 23 far 2 44 5 - 3.3-7.3 HB2 LYS 24 - HG2 GLU 23 far 2 44 5 - 3.7-7.3 HB3 LYS 13 - HG2 GLU 17 far 0 82 0 - 5.0-6.8 HB2 LYS 94 - HG2 GLU 98 far 0 51 0 - 5.1-7.1 HB3 LEU 14 - HG2 GLU 17 far 0 59 0 - 5.3-7.1 QE MET 1 - HG2 GLU 99 far 0 44 0 - 5.6-11.0 HB3 LYS 20 - HG2 GLU 17 far 0 100 0 - 6.4-9.0 HB2 LYS 94 - HG2 GLU 99 far 0 65 0 - 6.4-11.4 QE MET 1 - HG2 GLU 98 far 0 33 0 - 7.5-12.3 HB3 ARG 19 - HG2 GLU 17 far 0 98 0 - 8.1-10.2 HB3 LYS 24 - HG2 GLU 98 far 0 49 0 - 8.9-11.6 HB2 MET 1 - HG2 GLU 98 far 0 60 0 - 9.0-14.1 HB2 MET 1 - HG2 GLU 99 far 0 76 0 - 9.3-14.1 HG3 GLU 88 - HG2 GLU 17 far 0 100 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 754 from cnoeabs.peaks (2.01, 2.24, 36.00 ppm; 2.98 A): 5 out of 16 assignments used, quality = 1.00: * HB3 GLU 17 + HG2 GLU 17 OK 100 100 100 100 2.2-3.0 748=100, 6256/6257=35...(14) HB3 GLU 99 + HG2 GLU 99 OK 50 50 100 100 2.3-3.0 3.0=100 HB2 GLU 99 + HG2 GLU 99 OK 41 41 100 100 2.2-3.0 3.0=100 HB3 GLU 98 + HG2 GLU 98 OK 31 31 100 99 2.3-2.6 3.0=97, 3.0/4365=30...(11) HB2 GLU 98 + HG2 GLU 98 OK 30 30 100 99 2.6-3.0 3.0=97, 3.0/4365=30...(12) HB3 LYS 94 - HG2 GLU 98 poor 11 53 20 - 4.3-7.7 HB2 GLU 98 - HG2 GLU 99 poor 10 39 25 - 2.9-7.2 HB3 GLU 98 - HG2 GLU 99 far 4 41 10 - 3.9-8.4 QE MET 1 - HG2 GLU 99 far 0 51 0 - 5.6-11.0 HB3 LYS 94 - HG2 GLU 99 far 0 68 0 - 6.5-10.4 HB2 GLU 99 - HG2 GLU 98 far 0 31 0 - 6.6-8.4 HB3 GLU 99 - HG2 GLU 98 far 0 38 0 - 6.6-8.1 QE MET 1 - HG2 GLU 98 far 0 39 0 - 7.5-12.3 HG12 ILE 93 - HG2 GLU 23 far 0 34 0 - 8.0-11.0 HB3 MET 1 - HG2 GLU 99 far 0 75 0 - 8.7-14.8 HG12 ILE 93 - HG2 GLU 99 far 0 50 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 755 from cnoeabs.peaks (2.24, 2.24, 36.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 17 + HG2 GLU 17 OK 100 100 - 100 HG2 GLU 99 + HG2 GLU 99 OK 61 61 - 100 HG2 GLU 98 + HG2 GLU 98 OK 40 40 - 100 HG2 GLU 23 + HG2 GLU 23 OK 39 39 - 100 Peak 756 from cnoeabs.peaks (2.43, 2.24, 36.00 ppm; 2.46 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLU 17 + HG2 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 99 + HG2 GLU 99 OK 73 73 100 100 1.8-1.8 1.8=100 HG3 MET 21 - HG2 GLU 17 far 0 79 0 - 5.8-10.6 HG3 GLU 99 - HG2 GLU 98 far 0 58 0 - 5.8-8.5 HB3 MET 21 - HG2 GLU 23 far 0 35 0 - 6.9-8.2 HB3 MET 21 - HG2 GLU 17 far 0 77 0 - 7.1-8.5 HG3 MET 21 - HG2 GLU 23 far 0 36 0 - 7.3-9.6 HB3 TYR 4 - HG2 GLU 23 far 0 36 0 - 8.4-12.9 HB2 ASP 11 - HG2 GLU 17 far 0 100 0 - 8.4-10.1 HG3 MET 1 - HG2 GLU 99 far 0 72 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 757 from cnoeabs.peaks (8.65, 2.24, 36.00 ppm; 5.07 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 18 + HG2 GLU 17 OK 100 100 100 100 4.1-5.2 6269/748=90...(12) H ALA 18 - HG2 GLU 23 far 0 54 0 - 8.8-10.0 H LEU 55 - HG2 GLU 99 far 0 65 0 - 9.2-13.4 H ASP 11 - HG2 GLU 17 far 0 94 0 - 9.6-11.4 Violated in 7 structures by 0.02 A. Peak 758 from cnoeabs.peaks (8.06, 2.43, 36.00 ppm; 3.68 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 17 + HG3 GLU 17 OK 100 100 100 100 1.9-3.3 6257/1.8=75, 6258=74...(19) H SER 102 - HG3 GLU 99 poor 14 98 45 33 2.1-9.1 12267/3.0=11...(4) H ILE 15 - HG3 GLU 17 far 5 99 5 - 5.1-6.0 H LYS 90 - HG3 GLU 17 far 0 95 0 - 5.3-8.1 H LYS 13 - HG3 GLU 17 far 0 98 0 - 5.8-7.2 Violated in 0 structures by 0.00 A. Peak 759 from cnoeabs.peaks (4.05, 2.43, 36.00 ppm; 3.73 A): 2 out of 7 assignments used, quality = 1.00: * HA GLU 17 + HG3 GLU 17 OK 100 100 100 100 2.7-3.9 3.9=84, 729/1.8=62...(19) HA PRO 86 + HG3 GLU 17 OK 24 63 50 76 3.9-6.7 2.3/12333=24...(21) HA ARG 46 - HG3 GLU 48 poor 19 71 45 59 4.4-7.1 9027/10431=22...(8) HA GLU 95 - HG3 GLU 99 poor 17 73 85 28 2.6-7.3 7598/4428=13, 4276/1.8=9...(5) HB2 SER 49 - HG3 GLU 48 far 12 83 15 - 3.7-7.3 HA GLU 16 - HG3 GLU 17 far 5 99 5 - 5.2-6.8 HA LYS 20 - HG3 GLU 17 far 0 100 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 760 from cnoeabs.peaks (1.94, 2.43, 36.00 ppm; 3.36 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 17 + HG3 GLU 17 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 13 + HG3 GLU 17 OK 41 85 100 48 3.6-4.8 3.0/3186=14, 753/1.8=14...(14) HB3 LYS 47 - HG3 GLU 48 poor 20 75 50 52 3.8-7.3 6783/6794=35, 13=15...(5) HB2 LYS 47 - HG3 GLU 48 poor 16 63 25 - 3.7-7.1 HB3 LYS 13 - HG3 GLU 17 far 0 82 0 - 4.9-6.4 QE MET 1 - HG3 GLU 99 far 0 63 0 - 4.9-11.2 HB3 LEU 14 - HG3 GLU 17 far 0 59 0 - 5.2-6.7 HB2 ARG 46 - HG3 GLU 48 far 0 53 0 - 6.2-9.1 HB3 ARG 46 - HG3 GLU 48 far 0 74 0 - 6.5-8.9 HB2 LYS 94 - HG3 GLU 99 far 0 89 0 - 6.8-11.6 HB3 LYS 20 - HG3 GLU 17 far 0 100 0 - 6.9-8.9 HB3 ARG 19 - HG3 GLU 17 far 0 98 0 - 7.0-9.6 QE MET 1 - HG3 GLU 48 far 0 50 0 - 8.0-11.4 HB2 MET 1 - HG3 GLU 99 far 0 98 0 - 8.1-14.5 HB3 MET 74 - HG3 GLU 48 far 0 71 0 - 8.8-13.3 HB2 GLU 43 - HG3 GLU 48 far 0 50 0 - 9.1-11.5 HB2 MET 1 - HG3 GLU 48 far 0 84 0 - 9.2-12.8 HG3 GLU 88 - HG3 GLU 17 far 0 100 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 761 from cnoeabs.peaks (2.01, 2.43, 36.00 ppm; 2.97 A): 3 out of 17 assignments used, quality = 1.00: * HB3 GLU 17 + HG3 GLU 17 OK 100 100 100 100 2.2-3.0 3.0=97, 748/1.8=69...(13) HB3 GLU 99 + HG3 GLU 99 OK 71 71 100 100 2.2-3.0 3.0=100 HB2 GLU 99 + HG3 GLU 99 OK 60 60 100 100 2.4-3.0 3.0=100 HB2 GLU 98 - HG3 GLU 99 poor 12 58 65 33 2.9-6.8 4.6/4428=20, 4415/4.1=4...(5) HB3 GLU 98 - HG3 GLU 99 poor 11 60 50 36 4.1-7.7 4.6/4428=20, 1.8/2242=5...(5) HB2 LYS 47 - HG3 GLU 48 far 7 45 15 - 3.7-7.1 HB2 GLN 50 - HG3 GLU 48 far 0 75 0 - 4.9-9.9 QE MET 1 - HG3 GLU 99 far 0 73 0 - 4.9-11.2 HB3 GLU 44 - HG3 GLU 48 far 0 83 0 - 5.5-9.6 HB2 GLU 44 - HG3 GLU 48 far 0 83 0 - 5.8-10.5 HB3 LYS 94 - HG3 GLU 99 far 0 92 0 - 6.1-10.6 HB2 ARG 46 - HG3 GLU 48 far 0 55 0 - 6.2-9.1 HB3 MET 1 - HG3 GLU 48 far 0 84 0 - 7.8-12.9 QE MET 1 - HG3 GLU 48 far 0 58 0 - 8.0-11.4 HB3 MET 1 - HG3 GLU 99 far 0 98 0 - 9.4-15.2 QE MET 74 - HG3 GLU 48 far 0 83 0 - 9.4-12.3 HG12 ILE 93 - HG3 GLU 99 far 0 71 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 762 from cnoeabs.peaks (2.24, 2.43, 36.00 ppm; 2.44 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 17 + HG3 GLU 17 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 99 + HG3 GLU 99 OK 84 84 100 100 1.8-1.8 1.8=100 HG2 GLU 95 - HG3 GLU 99 far 0 78 0 - 5.1-9.1 HG2 GLU 98 - HG3 GLU 99 far 0 75 0 - 5.8-8.5 Violated in 0 structures by 0.00 A. Peak 763 from cnoeabs.peaks (2.43, 2.43, 36.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 17 + HG3 GLU 17 OK 100 100 - 100 HG3 GLU 99 + HG3 GLU 99 OK 96 96 - 100 HG3 GLU 48 + HG3 GLU 48 OK 84 84 - 100 Peak 764 from cnoeabs.peaks (8.65, 2.43, 36.00 ppm; 5.00 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 18 + HG3 GLU 17 OK 100 100 100 100 3.9-4.7 6269/3.0=88, 757/1.8=79...(16) H LEU 55 - HG3 GLU 99 far 0 89 0 - 9.0-14.3 H ASP 11 - HG3 GLU 17 far 0 94 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 765 from cnoeabs.peaks (8.65, 3.77, 54.96 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 18 + HA ALA 18 OK 100 100 100 100 2.8-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 766 from cnoeabs.peaks (3.77, 3.77, 54.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 18 + HA ALA 18 OK 100 100 - 100 Peak 767 from cnoeabs.peaks (1.23, 3.77, 54.96 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * QB ALA 18 + HA ALA 18 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 57 - HA ALA 18 far 0 73 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 768 from cnoeabs.peaks (8.90, 3.77, 54.96 ppm; 4.53 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HA ALA 18 OK 100 100 100 100 3.5-3.5 3.6=100 H LEU 57 - HA ALA 18 far 0 79 0 - 8.4-9.7 H VAL 5 - HA ALA 18 far 0 94 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 769 from cnoeabs.peaks (7.68, 3.77, 54.96 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * H MET 21 + HA ALA 18 OK 100 100 100 100 3.3-3.6 6319=60, 6333/959=55...(20) H ALA 25 - HA ALA 18 far 0 84 0 - 7.9-8.8 H SER 85 - HA ALA 18 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 770 from cnoeabs.peaks (2.05, 3.77, 54.96 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.99: * HB2 MET 21 + HA ALA 18 OK 98 100 100 98 2.5-3.9 959=64, 6333/769=49...(15) HG12 ILE 93 + HA ALA 18 OK 70 98 75 95 4.2-6.1 ~10020=47, 2.1/10026=47...(14) HB2 GLU 16 - HA ALA 18 far 0 85 0 - 7.3-8.0 HB2 GLU 23 - HA ALA 18 far 0 65 0 - 7.9-10.3 HB3 LYS 94 - HA ALA 18 far 0 81 0 - 8.0-9.9 HB3 GLU 88 - HA ALA 18 far 0 82 0 - 8.8-9.6 Violated in 0 structures by 0.00 A. Peak 771 from cnoeabs.peaks (2.40, 3.77, 54.96 ppm; 5.58 A): 3 out of 3 assignments used, quality = 1.00: * HB3 MET 21 + HA ALA 18 OK 100 100 100 100 2.1-3.9 1.8/959=99, 4.0/769=79...(20) HG3 MET 21 + HA ALA 18 OK 100 100 100 100 3.5-4.8 3.0/959=88, 5.1/769=65...(19) HG3 GLU 17 + HA ALA 18 OK 77 77 100 100 6.1-6.5 ~757=60, ~6269=59...(13) Violated in 0 structures by 0.00 A. Peak 772 from cnoeabs.peaks (3.26, 1.23, 17.96 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + QB ALA 18 OK 100 100 100 100 2.3-3.0 643=100, 6263/2.9=42...(28) Violated in 0 structures by 0.00 A. Peak 773 from cnoeabs.peaks (8.65, 1.23, 17.96 ppm; 3.09 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 18 + QB ALA 18 OK 100 100 100 100 2.0-2.2 2.9=100 H LEU 55 - QB ALA 18 far 0 93 0 - 7.7-9.0 H ASP 11 - QB ALA 18 far 0 94 0 - 7.8-8.4 H ASN 10 - QB ALA 18 far 0 97 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 774 from cnoeabs.peaks (3.77, 1.23, 17.96 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HA ALA 18 + QB ALA 18 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 19 + QB ALA 18 OK 65 70 100 94 3.7-3.9 3.0/6283=46, 4.9=24...(20) Violated in 0 structures by 0.00 A. Peak 775 from cnoeabs.peaks (1.23, 1.23, 17.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 18 + QB ALA 18 OK 100 100 - 100 Peak 776 from cnoeabs.peaks (8.90, 1.23, 17.96 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + QB ALA 18 OK 100 100 100 100 2.6-2.8 6283=100, 6281/2.9=59...(25) H LEU 57 - QB ALA 18 far 0 79 0 - 5.5-6.3 H VAL 5 - QB ALA 18 far 0 94 0 - 7.0-7.9 Violated in 0 structures by 0.00 A. Peak 777 from cnoeabs.peaks (8.90, 3.81, 59.98 ppm; 3.64 A): 1 out of 5 assignments used, quality = 1.00: * H ARG 19 + HA ARG 19 OK 100 100 100 100 2.8-2.8 3.0=100 H VAL 5 - HA ARG 19 far 0 94 0 - 7.0-8.0 H LEU 57 - HA ARG 19 far 0 79 0 - 8.9-10.1 H LEU 57 - HA LYS 68 far 0 78 0 - 9.0-10.5 H ASP 77 - HA LYS 68 far 0 98 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 778 from cnoeabs.peaks (3.81, 3.81, 59.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 19 + HA ARG 19 OK 100 100 - 100 HA LYS 68 + HA LYS 68 OK 100 100 - 100 Peak 779 from cnoeabs.peaks (1.89, 3.81, 59.98 ppm; 3.05 A): 3 out of 11 assignments used, quality = 1.00: * HB2 ARG 19 + HA ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LYS 68 + HA LYS 68 OK 90 90 100 100 2.9-3.0 3.0=100 HB3 ARG 19 + HA ARG 19 OK 63 63 100 100 2.3-3.0 3.0=100 HB VAL 5 - HA ARG 19 far 0 75 0 - 5.0-6.0 HB2 LYS 20 - HA ARG 19 far 0 100 0 - 5.9-6.5 HB VAL 54 - HA LYS 68 far 0 99 0 - 7.1-9.2 HB3 LYS 66 - HA LYS 68 far 0 74 0 - 7.2-7.5 HG LEU 42 - HA LYS 68 far 0 100 0 - 7.7-9.1 HB3 LYS 39 - HA LYS 68 far 0 76 0 - 8.8-11.3 HB ILE 8 - HA LYS 68 far 0 100 0 - 9.2-10.7 HB3 LEU 14 - HA ARG 19 far 0 99 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 780 from cnoeabs.peaks (1.93, 3.81, 59.98 ppm; 3.27 A): 2 out of 12 assignments used, quality = 1.00: * HB3 ARG 19 + HA ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 19 + HA ARG 19 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 LYS 20 - HA ARG 19 far 0 100 0 - 6.3-6.6 HB2 GLU 17 - HA ARG 19 far 0 98 0 - 7.6-8.4 HG LEU 42 - HA LYS 68 far 0 70 0 - 7.7-9.1 HB3 LYS 24 - HA ARG 19 far 0 71 0 - 7.7-9.0 HB2 LYS 73 - HA LYS 68 far 0 80 0 - 8.0-9.4 HB2 LYS 24 - HA ARG 19 far 0 71 0 - 8.3-9.6 HB3 MET 74 - HA LYS 68 far 0 70 0 - 8.4-10.6 HB ILE 8 - HA LYS 68 far 0 69 0 - 9.2-10.7 HB3 LYS 73 - HA LYS 68 far 0 81 0 - 9.7-10.8 HB3 LEU 14 - HA ARG 19 far 0 82 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 781 from cnoeabs.peaks (1.58, 3.81, 59.98 ppm; 3.48 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 19 + HA ARG 19 OK 100 100 100 100 2.1-3.8 809=71, 1.8/782=67...(34) HB3 LEU 29 + HA ARG 19 OK 95 99 100 96 1.9-3.9 3.1/8688=30, 3.1/8507=29...(30) HB2 ARG 79 - HA LYS 68 far 0 96 0 - 6.7-9.0 HG3 LYS 90 - HA ARG 19 far 0 100 0 - 6.9-10.4 HG LEU 103 - HA LYS 68 far 0 100 0 - 7.2-21.1 HB3 GLU 28 - HA ARG 19 far 0 90 0 - 7.3-8.4 HG3 LYS 73 - HA LYS 68 far 0 97 0 - 7.5-9.8 HB2 ARG 30 - HA ARG 19 far 0 94 0 - 7.5-8.6 HG LEU 27 - HA ARG 19 far 0 98 0 - 8.1-9.5 HB2 LEU 103 - HA LYS 68 far 0 100 0 - 8.8-18.9 HG2 LYS 24 - HA ARG 19 far 0 100 0 - 9.6-11.4 HD2 LYS 66 - HA LYS 68 far 0 95 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 782 from cnoeabs.peaks (1.76, 3.81, 59.98 ppm; 3.66 A): 1 out of 10 assignments used, quality = 1.00: * HG3 ARG 19 + HA ARG 19 OK 100 100 100 100 2.4-3.6 818=83, 1.8/809=67...(25) HB ILE 56 - HA LYS 68 far 10 100 10 - 4.9-6.6 HB VAL 78 - HA LYS 68 far 0 91 0 - 5.3-7.1 HB ILE 15 - HA ARG 19 far 0 75 0 - 7.2-8.2 HB2 LYS 66 - HA LYS 68 far 0 99 0 - 7.5-8.1 HB2 GLU 28 - HA ARG 19 far 0 94 0 - 8.2-9.2 HD2 LYS 90 - HA ARG 19 far 0 91 0 - 8.4-11.2 HD2 ARG 81 - HA LYS 68 far 0 67 0 - 8.5-10.8 HB2 LYS 39 - HA LYS 68 far 0 60 0 - 8.6-11.5 HB3 GLU 63 - HA LYS 68 far 0 93 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 783 from cnoeabs.peaks (3.18, 3.81, 59.98 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 19 + HA ARG 19 OK 100 100 100 100 3.3-4.7 3.0/782=81, 3.0/809=77...(27) HD3 ARG 19 + HA ARG 19 OK 100 100 100 100 4.0-5.3 3.0/782=81, 3.0/809=77...(28) HB2 HIS 106 - HA LYS 68 far 0 99 0 - 8.7-22.3 Violated in 0 structures by 0.00 A. Peak 784 from cnoeabs.peaks (3.18, 3.81, 59.98 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 19 + HA ARG 19 OK 100 100 100 100 3.3-4.7 3.0/782=81, 3.0/809=77...(27) * HD3 ARG 19 + HA ARG 19 OK 100 100 100 100 4.0-5.3 3.0/782=81, 3.0/809=77...(28) HB2 HIS 106 - HA LYS 68 far 0 99 0 - 8.7-22.3 Violated in 0 structures by 0.00 A. Peak 785 from cnoeabs.peaks (7.79, 3.81, 59.98 ppm; 4.20 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 20 + HA ARG 19 OK 100 100 100 100 3.5-3.6 3.6=100 H VAL 78 - HA LYS 68 far 0 60 0 - 6.1-7.8 HE ARG 30 - HA ARG 19 far 0 100 0 - 6.4-11.1 H LYS 66 - HA LYS 68 far 0 98 0 - 6.5-6.7 H GLU 28 - HA ARG 19 far 0 100 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 786 from cnoeabs.peaks (8.81, 3.81, 59.98 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.99: * H ALA 22 + HA ARG 19 OK 99 100 100 99 3.6-4.1 6343/3.6=52, 6352=43...(19) H ILE 8 - HA ARG 19 far 0 94 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 787 from cnoeabs.peaks (1.44, 3.81, 59.98 ppm; 3.09 A): 3 out of 10 assignments used, quality = 1.00: HG LEU 29 + HA ARG 19 OK 94 100 100 94 2.0-3.8 2.1/8507=31, 2.1/8507=30...(30) * QB ALA 22 + HA ARG 19 OK 93 100 100 93 2.9-3.6 1007=49, 2.9/786=31...(23) QB ALA 71 + HA LYS 68 OK 49 84 100 58 2.7-3.5 2.9/12163=19...(12) HG2 LYS 20 - HA ARG 19 far 0 90 0 - 4.8-5.1 HG LEU 38 - HA LYS 68 far 0 86 0 - 5.9-9.0 HB2 LEU 27 - HA ARG 19 far 0 90 0 - 6.3-7.3 HB2 LEU 38 - HA LYS 68 far 0 91 0 - 6.6-9.3 HG12 ILE 7 - HA ARG 19 far 0 99 0 - 7.0-8.8 HG3 LYS 39 - HA LYS 68 far 0 99 0 - 8.4-12.5 HD2 LYS 82 - HA LYS 68 far 0 86 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 788 from cnoeabs.peaks (4.04, 1.89, 29.57 ppm; 4.03 A): 3 out of 6 assignments used, quality = 1.00: HA LYS 20 + HB2 ARG 19 OK 98 100 100 98 4.0-5.5 2.9/797=59, 11086/3.0=35...(17) * HA GLU 16 + HB2 ARG 19 OK 97 100 100 97 2.3-4.8 733=41, 8503/3.0=30...(19) HA GLU 17 + HB2 ARG 19 OK 58 99 80 73 5.1-6.8 6278/789=27...(8) HA GLU 95 - HB3 GLU 104 far 2 46 5 - 4.8-15.9 HA ARG 46 - HB2 GLU 43 far 0 42 0 - 6.6-7.7 HA LEU 70 - HB2 GLU 43 far 0 46 0 - 9.5-11.6 Violated in 1 structures by 0.00 A. Peak 789 from cnoeabs.peaks (8.90, 1.89, 29.57 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.1-3.6 3.9=87, 6288/3.0=58...(31) H VAL 5 - HB2 ARG 19 far 0 94 0 - 9.1-10.8 H LEU 57 - HB2 ARG 19 far 0 79 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 790 from cnoeabs.peaks (3.81, 1.89, 29.57 ppm; 3.69 A): 1 out of 5 assignments used, quality = 1.00: * HA ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 18 - HB2 ARG 19 far 0 70 0 - 5.5-6.6 HB3 SER 102 - HB3 GLU 104 far 0 58 0 - 5.6-10.0 HA ALA 22 - HB2 ARG 19 far 0 95 0 - 7.8-8.8 HA ALA 71 - HB2 GLU 43 far 0 33 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 791 from cnoeabs.peaks (1.89, 1.89, 29.57 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 19 + HB2 ARG 19 OK 100 100 - 100 HB2 GLU 43 + HB2 GLU 43 OK 57 57 - 100 HB3 GLU 104 + HB3 GLU 104 OK 46 46 - 100 Peak 792 from cnoeabs.peaks (1.93, 1.89, 29.57 ppm; diagonal): 2 out of 2 assignments used, quality = 0.81: HB2 ARG 19 + HB2 ARG 19 OK 63 63 - 100 HB2 GLU 43 + HB2 GLU 43 OK 49 49 - 100 Reference assignment not found: HB3 ARG 19 - HB2 ARG 19 Peak 793 from cnoeabs.peaks (1.58, 1.89, 29.57 ppm; 3.76 A): 1 out of 12 assignments used, quality = 1.00: * HG2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 29 - HB2 ARG 19 poor 20 99 20 - 3.3-6.7 HG3 LYS 47 - HB2 GLU 43 poor 16 32 50 - 3.8-7.0 HB2 LEU 103 - HB3 GLU 104 far 6 58 10 - 5.0-7.8 HB2 ARG 79 - HB3 GLU 104 far 0 53 0 - 5.7-12.0 HG LEU 103 - HB3 GLU 104 far 0 58 0 - 6.3-9.0 HG3 LYS 90 - HB2 ARG 19 far 0 100 0 - 7.0-10.6 HD3 LYS 94 - HB3 GLU 104 far 0 54 0 - 7.6-19.5 HB2 ARG 30 - HB2 ARG 19 far 0 94 0 - 8.3-10.1 HD2 LYS 94 - HB3 GLU 104 far 0 28 0 - 8.3-20.5 HG3 LYS 12 - HB2 ARG 19 far 0 99 0 - 8.6-12.7 HB3 GLU 28 - HB2 ARG 19 far 0 90 0 - 8.6-10.7 Violated in 0 structures by 0.00 A. Peak 794 from cnoeabs.peaks (1.76, 1.89, 29.57 ppm; 3.34 A): 1 out of 9 assignments used, quality = 1.00: * HG3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 46 - HB2 GLU 43 far 0 44 0 - 5.2-6.1 HB ILE 15 - HB2 ARG 19 far 0 75 0 - 5.5-7.7 HD2 ARG 81 - HB3 GLU 104 far 0 32 0 - 5.7-13.1 HB2 LYS 39 - HB2 GLU 43 far 0 31 0 - 6.6-8.7 HD2 LYS 90 - HB2 ARG 19 far 0 91 0 - 8.4-11.1 HB3 LYS 82 - HB3 GLU 104 far 0 58 0 - 9.4-17.9 HB2 GLU 28 - HB2 ARG 19 far 0 94 0 - 9.7-11.7 HB ILE 56 - HB3 GLU 104 far 0 58 0 - 9.9-17.3 Violated in 0 structures by 0.00 A. Peak 795 from cnoeabs.peaks (3.18, 1.89, 29.57 ppm; 3.92 A): 3 out of 5 assignments used, quality = 1.00: HD3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.1-3.9 3.6=100 * HD2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.2-3.6 3.6=100 HD3 ARG 46 + HB2 GLU 43 OK 48 54 95 94 3.0-6.2 10171/3.0=47...(17) HB2 HIS 106 - HB3 GLU 104 poor 11 57 20 - 3.7-9.9 HB3 TRP 92 - HB3 GLU 104 far 0 49 0 - 6.0-14.6 Violated in 0 structures by 0.00 A. Peak 796 from cnoeabs.peaks (3.18, 1.89, 29.57 ppm; 3.92 A): 3 out of 5 assignments used, quality = 1.00: * HD3 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.1-3.9 3.6=100 HD2 ARG 19 + HB2 ARG 19 OK 100 100 100 100 2.2-3.6 3.6=100 HD3 ARG 46 + HB2 GLU 43 OK 48 54 95 94 3.0-6.2 10171/3.0=47...(17) HB2 HIS 106 - HB3 GLU 104 poor 11 57 20 - 3.7-9.9 HB3 TRP 92 - HB3 GLU 104 far 0 49 0 - 6.0-14.6 Violated in 0 structures by 0.00 A. Peak 797 from cnoeabs.peaks (7.79, 1.89, 29.57 ppm; 4.08 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 20 + HB2 ARG 19 OK 100 100 100 100 2.5-3.6 4.1=98, 6291/789=63...(27) H TYR 41 - HB2 GLU 43 far 2 39 5 - 5.4-7.1 HE ARG 30 - HB2 ARG 19 far 0 100 0 - 7.4-12.8 H GLU 99 - HB3 GLU 104 far 0 58 0 - 8.0-15.6 H GLU 28 - HB2 ARG 19 far 0 100 0 - 9.0-10.9 H SER 9 - HB2 ARG 19 far 0 93 0 - 9.4-12.1 HE ARG 30 - HB2 GLU 43 far 0 62 0 - 9.7-15.4 Violated in 0 structures by 0.00 A. Peak 798 from cnoeabs.peaks (4.04, 1.93, 29.57 ppm; 3.74 A): 2 out of 5 assignments used, quality = 1.00: HA LYS 20 + HB3 ARG 19 OK 96 100 100 97 3.8-5.1 2.9/6308=36, ~797=33...(20) * HA GLU 16 + HB3 ARG 19 OK 95 100 100 95 2.5-4.2 733/1.8=35, 734=30...(17) HA GLU 17 - HB3 ARG 19 far 5 99 5 - 5.2-7.3 HA ARG 46 - HB2 GLU 43 far 0 31 0 - 6.6-7.7 HA LEU 70 - HB2 GLU 43 far 0 35 0 - 9.5-11.6 Violated in 2 structures by 0.03 A. Peak 799 from cnoeabs.peaks (8.90, 1.93, 29.57 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.2-3.5 3.9=89, 6288/3.0=59...(23) H VAL 5 - HB3 ARG 19 far 0 94 0 - 8.1-10.8 Violated in 0 structures by 0.00 A. Peak 800 from cnoeabs.peaks (3.81, 1.93, 29.57 ppm; 3.79 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 18 - HB3 ARG 19 far 0 70 0 - 5.6-6.5 HA ALA 22 - HB3 ARG 19 far 0 95 0 - 7.7-8.6 HA ALA 71 - HB2 GLU 43 far 0 25 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 801 from cnoeabs.peaks (1.89, 1.93, 29.57 ppm; diagonal): 2 out of 2 assignments used, quality = 0.79: HB3 ARG 19 + HB3 ARG 19 OK 63 63 - 100 HB2 GLU 43 + HB2 GLU 43 OK 43 43 - 100 Reference assignment not found: HB2 ARG 19 - HB3 ARG 19 Peak 802 from cnoeabs.peaks (1.93, 1.93, 29.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 19 + HB3 ARG 19 OK 100 100 - 100 HB2 GLU 43 + HB2 GLU 43 OK 36 36 - 100 Peak 803 from cnoeabs.peaks (1.58, 1.93, 29.57 ppm; 3.75 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 29 + HB3 ARG 19 OK 29 99 30 99 4.2-6.6 3.1/8517=31, 781/3.0=30...(32) HG3 LYS 47 - HB2 GLU 43 poor 12 24 50 - 3.8-7.0 HB2 ARG 30 - HB3 ARG 19 far 0 94 0 - 7.2-10.2 HG3 LYS 90 - HB3 ARG 19 far 0 100 0 - 7.8-11.2 HB3 GLU 28 - HB3 ARG 19 far 0 90 0 - 8.3-10.5 HG3 LYS 12 - HB3 ARG 19 far 0 99 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 804 from cnoeabs.peaks (1.76, 1.93, 29.57 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * HG3 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 46 - HB2 GLU 43 far 0 33 0 - 5.2-6.1 HB ILE 15 - HB3 ARG 19 far 0 75 0 - 5.6-7.9 HB2 LYS 39 - HB2 GLU 43 far 0 23 0 - 6.6-8.7 HD2 LYS 90 - HB3 ARG 19 far 0 91 0 - 8.0-12.1 HB2 GLU 28 - HB3 ARG 19 far 0 94 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 805 from cnoeabs.peaks (3.18, 1.93, 29.57 ppm; 3.92 A): 3 out of 3 assignments used, quality = 1.00: HD3 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.0-4.1 3.6=100 * HD2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.0-3.7 3.6=100 HD3 ARG 46 + HB2 GLU 43 OK 36 41 95 93 3.0-6.2 10171/3.0=47...(16) Violated in 0 structures by 0.00 A. Peak 806 from cnoeabs.peaks (3.18, 1.93, 29.57 ppm; 3.92 A): 3 out of 3 assignments used, quality = 1.00: * HD3 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.0-4.1 3.6=100 HD2 ARG 19 + HB3 ARG 19 OK 100 100 100 100 2.0-3.7 3.6=100 HD3 ARG 46 + HB2 GLU 43 OK 36 41 95 93 3.0-6.2 10171/3.0=47...(16) Violated in 0 structures by 0.00 A. Peak 807 from cnoeabs.peaks (7.79, 1.93, 29.57 ppm; 4.13 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 20 + HB3 ARG 19 OK 100 100 100 100 2.1-4.2 4.1=100 H TYR 41 - HB2 GLU 43 far 1 29 5 - 5.4-7.1 HE ARG 30 - HB3 ARG 19 far 0 100 0 - 6.1-12.9 H GLU 28 - HB3 ARG 19 far 0 100 0 - 8.7-10.7 HE ARG 30 - HB2 GLU 43 far 0 47 0 - 9.7-15.4 Violated in 2 structures by 0.00 A. Peak 808 from cnoeabs.peaks (8.90, 1.58, 27.71 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.7-4.2 6288/1.8=92, 789/3.0=73...(28) H VAL 5 - HG2 ARG 19 far 0 94 0 - 7.4-10.9 H LEU 57 - HG2 ARG 19 far 0 79 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 809 from cnoeabs.peaks (3.81, 1.58, 27.71 ppm; 3.91 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.1-3.8 4.0=91, 782/1.8=81...(34) HA ALA 18 - HG2 ARG 19 far 0 70 0 - 5.8-6.9 HA ALA 22 - HG2 ARG 19 far 0 95 0 - 7.5-9.7 HA LYS 68 - HD2 LYS 66 far 0 86 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 810 from cnoeabs.peaks (1.89, 1.58, 27.71 ppm; 3.42 A): 3 out of 12 assignments used, quality = 1.00: * HB2 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 19 + HG2 ARG 19 OK 63 63 100 100 2.2-3.0 3.0=100 HB3 LYS 66 + HD2 LYS 66 OK 59 59 100 100 4.1-4.2 3.6=84, ~2943=44...(45) HB2 LYS 20 - HG2 ARG 19 far 10 100 10 - 4.0-7.5 HB VAL 5 - HG2 ARG 19 far 0 75 0 - 5.9-8.8 HB2 LYS 12 - HG2 ARG 19 far 0 81 0 - 7.3-10.4 HB3 LYS 68 - HD2 LYS 66 far 0 74 0 - 7.9-8.9 HB3 LYS 12 - HG2 ARG 19 far 0 84 0 - 8.7-11.9 HB3 LEU 14 - HG2 ARG 19 far 0 99 0 - 8.9-11.4 HB ILE 8 - HD2 LYS 66 far 0 87 0 - 8.9-11.5 HB3 LYS 39 - HD2 LYS 66 far 0 60 0 - 9.2-13.8 HB2 LYS 13 - HG2 ARG 19 far 0 87 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 811 from cnoeabs.peaks (1.93, 1.58, 27.71 ppm; 3.51 A): 2 out of 10 assignments used, quality = 1.00: * HB3 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 19 + HG2 ARG 19 OK 63 63 100 100 2.4-3.0 3.0=100 HB3 LYS 20 - HG2 ARG 19 far 10 100 10 - 4.7-8.3 HB2 GLU 17 - HG2 ARG 19 far 0 98 0 - 6.7-9.7 HB3 LYS 24 - HG2 ARG 19 far 0 71 0 - 7.9-10.3 HB2 LYS 24 - HG2 ARG 19 far 0 71 0 - 8.8-10.8 HB3 LEU 14 - HG2 ARG 19 far 0 82 0 - 8.9-11.4 HB ILE 8 - HD2 LYS 66 far 0 54 0 - 8.9-11.5 HB VAL 32 - HD2 LYS 66 far 0 83 0 - 9.2-11.2 HB2 LYS 13 - HG2 ARG 19 far 0 98 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 812 from cnoeabs.peaks (1.58, 1.58, 27.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 19 + HG2 ARG 19 OK 100 100 - 100 HD2 LYS 66 + HD2 LYS 66 OK 79 79 - 100 Peak 813 from cnoeabs.peaks (1.76, 1.58, 27.71 ppm; 2.77 A): 2 out of 7 assignments used, quality = 1.00: * HG3 ARG 19 + HG2 ARG 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 66 + HD2 LYS 66 OK 84 86 100 98 3.2-3.8 3.6=45, 2943/1.8=43...(50) HB ILE 15 - HG2 ARG 19 far 0 75 0 - 5.0-7.9 HB3 GLU 63 - HD2 LYS 66 far 0 77 0 - 6.5-8.9 HB2 LYS 39 - HD2 LYS 66 far 0 47 0 - 7.9-13.0 HB2 GLU 28 - HG2 ARG 19 far 0 94 0 - 7.9-12.2 HD2 LYS 90 - HG2 ARG 19 far 0 91 0 - 8.7-13.1 Violated in 0 structures by 0.00 A. Peak 814 from cnoeabs.peaks (3.18, 1.58, 27.71 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 * HD2 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 815 from cnoeabs.peaks (3.18, 1.58, 27.71 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 816 from cnoeabs.peaks (7.79, 1.58, 27.71 ppm; 4.82 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 20 + HG2 ARG 19 OK 100 100 100 100 2.1-5.0 4.9=95, 6303/1.8=90...(26) H LYS 66 + HD2 LYS 66 OK 84 84 100 100 3.6-5.2 7074/1.8=95, 7073=92...(35) HE ARG 30 - HG2 ARG 19 far 15 100 15 - 4.6-12.6 H GLU 28 - HG2 ARG 19 far 0 100 0 - 7.4-11.2 H SER 9 - HG2 ARG 19 far 0 93 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 817 from cnoeabs.peaks (8.90, 1.76, 27.71 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.2-4.4 6288=100, 808/1.8=78...(23) H VAL 5 - HG3 ARG 19 far 0 94 0 - 8.2-10.1 H LEU 57 - HG3 ARG 19 far 0 79 0 - 9.2-12.5 Violated in 2 structures by 0.00 A. Peak 818 from cnoeabs.peaks (3.81, 1.76, 27.71 ppm; 3.90 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.4-3.6 782=100, 809/1.8=75...(25) HA ALA 18 - HG3 ARG 19 far 3 70 5 - 5.3-7.2 HA ALA 22 - HG3 ARG 19 far 0 95 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 819 from cnoeabs.peaks (1.89, 1.76, 27.71 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 ARG 19 + HG3 ARG 19 OK 63 63 100 100 2.3-3.0 3.0=100 HB2 LYS 20 - HG3 ARG 19 far 10 100 10 - 4.5-7.8 HB VAL 5 - HG3 ARG 19 far 0 75 0 - 6.8-8.4 HB2 LYS 12 - HG3 ARG 19 far 0 81 0 - 7.4-11.5 HB3 LEU 14 - HG3 ARG 19 far 0 99 0 - 8.5-11.6 HB3 LYS 12 - HG3 ARG 19 far 0 84 0 - 8.8-12.7 Violated in 0 structures by 0.00 A. Peak 820 from cnoeabs.peaks (1.93, 1.76, 27.71 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB3 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ARG 19 + HG3 ARG 19 OK 63 63 100 100 2.2-3.0 3.0=100 HB3 LYS 20 - HG3 ARG 19 far 0 100 0 - 5.2-8.3 HB2 GLU 17 - HG3 ARG 19 far 0 98 0 - 7.4-9.8 HB3 LYS 24 - HG3 ARG 19 far 0 71 0 - 8.0-11.1 HB2 LYS 24 - HG3 ARG 19 far 0 71 0 - 8.5-11.8 HB3 LEU 14 - HG3 ARG 19 far 0 82 0 - 8.5-11.6 Violated in 0 structures by 0.00 A. Peak 821 from cnoeabs.peaks (1.58, 1.76, 27.71 ppm; 2.85 A): 1 out of 8 assignments used, quality = 1.00: * HG2 ARG 19 + HG3 ARG 19 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 29 - HG3 ARG 19 poor 20 99 20 - 3.8-6.3 HB2 ARG 30 - HG3 ARG 19 far 0 94 0 - 6.6-9.9 HB3 GLU 28 - HG3 ARG 19 far 0 90 0 - 7.1-10.0 HG3 LYS 90 - HG3 ARG 19 far 0 100 0 - 8.0-11.9 HG3 LYS 12 - HG3 ARG 19 far 0 99 0 - 9.4-13.1 HG LEU 27 - HG3 ARG 19 far 0 98 0 - 9.6-12.2 HG2 LYS 24 - HG3 ARG 19 far 0 100 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 822 from cnoeabs.peaks (1.76, 1.76, 27.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 19 + HG3 ARG 19 OK 100 100 - 100 Peak 823 from cnoeabs.peaks (3.18, 1.76, 27.71 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 824 from cnoeabs.peaks (3.18, 1.76, 27.71 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 * HD3 ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 825 from cnoeabs.peaks (7.79, 1.76, 27.71 ppm; 5.11 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 20 + HG3 ARG 19 OK 100 100 100 100 3.2-5.0 4.9=100 HE ARG 30 - HG3 ARG 19 far 15 100 15 - 5.3-11.4 H GLU 28 - HG3 ARG 19 far 0 100 0 - 7.6-10.5 H SER 9 - HG3 ARG 19 far 0 93 0 - 8.7-12.6 Violated in 0 structures by 0.00 A. Peak 826 from cnoeabs.peaks (8.90, 3.18, 43.16 ppm; 4.50 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 19 + HD2 ARG 19 OK 100 100 100 100 4.1-5.3 6288/3.0=79, 789/3.6=69...(24) H ARG 19 + HD3 ARG 19 OK 100 100 100 100 4.1-5.3 6288/3.0=79, 789/3.6=69...(25) H VAL 5 - HD2 ARG 19 far 0 94 0 - 8.6-11.3 H VAL 5 - HD3 ARG 19 far 0 94 0 - 9.5-12.1 Violated in 2 structures by 0.00 A. Peak 827 from cnoeabs.peaks (3.81, 3.18, 43.16 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: * HA ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.3-4.7 782/3.0=76, 809/3.0=72...(27) HA ARG 19 + HD3 ARG 19 OK 100 100 100 100 4.0-5.3 782/3.0=76, 809/3.0=72...(28) HA ALA 18 - HD3 ARG 19 far 0 70 0 - 7.4-8.6 HA ALA 18 - HD2 ARG 19 far 0 70 0 - 7.5-8.7 HA ALA 22 - HD2 ARG 19 far 0 95 0 - 8.9-10.9 HA ALA 22 - HD3 ARG 19 far 0 95 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 828 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.28 A): 4 out of 15 assignments used, quality = 1.00: HB2 ARG 19 + HD3 ARG 19 OK 97 100 100 97 2.1-3.9 3.6=77, 3.0/836=17...(21) * HB2 ARG 19 + HD2 ARG 19 OK 97 100 100 97 2.2-3.6 3.6=77, 3.0/836=17...(19) HB3 ARG 19 + HD3 ARG 19 OK 61 63 100 96 2.0-4.1 3.6=77, 3.0/827=17...(17) HB3 ARG 19 + HD2 ARG 19 OK 61 63 100 96 2.0-3.7 3.6=77, 3.0/827=17...(16) HB2 LYS 20 - HD3 ARG 19 far 0 100 0 - 5.5-8.5 HB2 LYS 20 - HD2 ARG 19 far 0 100 0 - 6.2-8.4 HB2 LYS 12 - HD3 ARG 19 far 0 81 0 - 7.1-9.6 HB2 LYS 12 - HD2 ARG 19 far 0 81 0 - 7.2-9.5 HB VAL 5 - HD2 ARG 19 far 0 75 0 - 7.5-10.0 HB VAL 5 - HD3 ARG 19 far 0 75 0 - 8.3-10.3 HB3 LYS 12 - HD3 ARG 19 far 0 84 0 - 8.5-11.1 HB3 LYS 12 - HD2 ARG 19 far 0 84 0 - 8.9-11.1 HB2 LYS 13 - HD3 ARG 19 far 0 87 0 - 9.7-12.7 HB3 LEU 14 - HD3 ARG 19 far 0 99 0 - 9.9-11.9 HB3 LEU 14 - HD2 ARG 19 far 0 99 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 829 from cnoeabs.peaks (1.93, 3.18, 43.16 ppm; 3.35 A): 4 out of 13 assignments used, quality = 1.00: HB3 ARG 19 + HD3 ARG 19 OK 97 100 100 97 2.0-4.1 3.6=81, 3.0/836=18...(17) * HB3 ARG 19 + HD2 ARG 19 OK 97 100 100 97 2.0-3.7 3.6=81, 3.0/836=18...(17) HB2 ARG 19 + HD2 ARG 19 OK 62 63 100 97 2.2-3.6 3.6=81, 3.0/827=18...(18) HB2 ARG 19 + HD3 ARG 19 OK 62 63 100 97 2.1-3.9 3.6=81, 3.0/827=18...(18) HB3 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.5-9.5 HB2 GLU 17 - HD3 ARG 19 far 0 98 0 - 7.3-10.2 HB3 LYS 20 - HD2 ARG 19 far 0 100 0 - 7.5-9.4 HB2 GLU 17 - HD2 ARG 19 far 0 98 0 - 8.1-10.5 HB2 LYS 24 - HD3 ARG 19 far 0 71 0 - 9.7-12.1 HB2 LYS 13 - HD3 ARG 19 far 0 98 0 - 9.7-12.7 HB3 LEU 14 - HD3 ARG 19 far 0 82 0 - 9.9-11.9 HB3 LYS 24 - HD3 ARG 19 far 0 71 0 - 9.9-11.8 HB3 LEU 14 - HD2 ARG 19 far 0 82 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 830 from cnoeabs.peaks (1.58, 3.18, 43.16 ppm; 3.14 A): 2 out of 12 assignments used, quality = 1.00: HG2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 29 - HD2 ARG 19 far 5 99 5 - 3.3-7.8 HB3 LEU 29 - HD3 ARG 19 far 5 99 5 - 4.6-8.4 HB2 ARG 30 - HD2 ARG 19 far 0 94 0 - 6.2-8.8 HB2 ARG 30 - HD3 ARG 19 far 0 94 0 - 6.6-10.6 HB3 GLU 28 - HD3 ARG 19 far 0 90 0 - 7.7-12.1 HB3 GLU 28 - HD2 ARG 19 far 0 90 0 - 7.9-10.7 HG3 LYS 90 - HD3 ARG 19 far 0 100 0 - 8.6-13.3 HG3 LYS 12 - HD2 ARG 19 far 0 99 0 - 9.0-11.9 HG3 LYS 12 - HD3 ARG 19 far 0 99 0 - 9.1-12.2 HG3 LYS 90 - HD2 ARG 19 far 0 100 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 831 from cnoeabs.peaks (1.76, 3.18, 43.16 ppm; 3.11 A): 2 out of 9 assignments used, quality = 1.00: * HG3 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 15 - HD2 ARG 19 far 0 75 0 - 5.3-7.1 HB ILE 15 - HD3 ARG 19 far 0 75 0 - 5.4-7.9 HD3 LYS 33 - HD3 ARG 19 far 0 65 0 - 9.1-12.5 HB2 GLU 28 - HD3 ARG 19 far 0 94 0 - 9.2-13.2 HB2 GLU 28 - HD2 ARG 19 far 0 94 0 - 9.2-12.0 HD3 LYS 33 - HD2 ARG 19 far 0 65 0 - 9.7-12.0 HD2 LYS 90 - HD3 ARG 19 far 0 91 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 832 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 * HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Peak 833 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Reference assignment not found: HD3 ARG 19 - HD2 ARG 19 Peak 834 from cnoeabs.peaks (7.79, 3.18, 43.16 ppm; 5.09 A): 2 out of 8 assignments used, quality = 1.00: H LYS 20 + HD3 ARG 19 OK 100 100 100 100 4.2-6.1 6303/3.0=80, 797/3.6=76...(17) * H LYS 20 + HD2 ARG 19 OK 100 100 100 100 4.8-6.3 6303/3.0=80, 797/3.6=76...(18) HE ARG 30 - HD2 ARG 19 poor 20 100 20 - 5.3-11.4 HE ARG 30 - HD3 ARG 19 far 15 100 15 - 5.3-12.8 H GLU 28 - HD2 ARG 19 far 0 100 0 - 8.9-11.6 H SER 9 - HD3 ARG 19 far 0 93 0 - 9.0-12.0 H SER 9 - HD2 ARG 19 far 0 93 0 - 9.3-11.6 H GLU 28 - HD3 ARG 19 far 0 100 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 835 from cnoeabs.peaks (8.90, 3.18, 43.16 ppm; 4.50 A): 2 out of 4 assignments used, quality = 1.00: H ARG 19 + HD2 ARG 19 OK 100 100 100 100 4.1-5.3 6288/3.0=79, 789/3.6=69...(24) * H ARG 19 + HD3 ARG 19 OK 100 100 100 100 4.1-5.3 6288/3.0=79, 789/3.6=69...(25) H VAL 5 - HD2 ARG 19 far 0 94 0 - 8.6-11.3 H VAL 5 - HD3 ARG 19 far 0 94 0 - 9.5-12.1 Violated in 2 structures by 0.00 A. Peak 836 from cnoeabs.peaks (3.81, 3.18, 43.16 ppm; 4.42 A): 2 out of 6 assignments used, quality = 1.00: HA ARG 19 + HD2 ARG 19 OK 100 100 100 100 3.3-4.7 782/3.0=76, 809/3.0=72...(27) * HA ARG 19 + HD3 ARG 19 OK 100 100 100 100 4.0-5.3 782/3.0=76, 809/3.0=72...(28) HA ALA 18 - HD3 ARG 19 far 0 70 0 - 7.4-8.6 HA ALA 18 - HD2 ARG 19 far 0 70 0 - 7.5-8.7 HA ALA 22 - HD2 ARG 19 far 0 95 0 - 8.9-10.9 HA ALA 22 - HD3 ARG 19 far 0 95 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 837 from cnoeabs.peaks (1.89, 3.18, 43.16 ppm; 3.28 A): 4 out of 15 assignments used, quality = 1.00: * HB2 ARG 19 + HD3 ARG 19 OK 97 100 100 97 2.1-3.9 3.6=77, 3.0/836=17...(21) HB2 ARG 19 + HD2 ARG 19 OK 97 100 100 97 2.2-3.6 3.6=77, 3.0/836=17...(19) HB3 ARG 19 + HD3 ARG 19 OK 61 63 100 96 2.0-4.1 3.6=77, 3.0/827=17...(17) HB3 ARG 19 + HD2 ARG 19 OK 61 63 100 96 2.0-3.7 3.6=77, 3.0/827=17...(16) HB2 LYS 20 - HD3 ARG 19 far 0 100 0 - 5.5-8.5 HB2 LYS 20 - HD2 ARG 19 far 0 100 0 - 6.2-8.4 HB2 LYS 12 - HD3 ARG 19 far 0 81 0 - 7.1-9.6 HB2 LYS 12 - HD2 ARG 19 far 0 81 0 - 7.2-9.5 HB VAL 5 - HD2 ARG 19 far 0 75 0 - 7.5-10.0 HB VAL 5 - HD3 ARG 19 far 0 75 0 - 8.3-10.3 HB3 LYS 12 - HD3 ARG 19 far 0 84 0 - 8.5-11.1 HB3 LYS 12 - HD2 ARG 19 far 0 84 0 - 8.9-11.1 HB2 LYS 13 - HD3 ARG 19 far 0 87 0 - 9.7-12.7 HB3 LEU 14 - HD3 ARG 19 far 0 99 0 - 9.9-11.9 HB3 LEU 14 - HD2 ARG 19 far 0 99 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 838 from cnoeabs.peaks (1.93, 3.18, 43.16 ppm; 3.35 A): 4 out of 13 assignments used, quality = 1.00: * HB3 ARG 19 + HD3 ARG 19 OK 97 100 100 97 2.0-4.1 3.6=81, 3.0/836=18...(17) HB3 ARG 19 + HD2 ARG 19 OK 97 100 100 97 2.0-3.7 3.6=81, 3.0/836=18...(17) HB2 ARG 19 + HD2 ARG 19 OK 62 63 100 97 2.2-3.6 3.6=81, 3.0/827=18...(18) HB2 ARG 19 + HD3 ARG 19 OK 62 63 100 97 2.1-3.9 3.6=81, 3.0/827=18...(18) HB3 LYS 20 - HD3 ARG 19 far 0 100 0 - 6.5-9.5 HB2 GLU 17 - HD3 ARG 19 far 0 98 0 - 7.3-10.2 HB3 LYS 20 - HD2 ARG 19 far 0 100 0 - 7.5-9.4 HB2 GLU 17 - HD2 ARG 19 far 0 98 0 - 8.1-10.5 HB2 LYS 24 - HD3 ARG 19 far 0 71 0 - 9.7-12.1 HB2 LYS 13 - HD3 ARG 19 far 0 98 0 - 9.7-12.7 HB3 LEU 14 - HD3 ARG 19 far 0 82 0 - 9.9-11.9 HB3 LYS 24 - HD3 ARG 19 far 0 71 0 - 9.9-11.8 HB3 LEU 14 - HD2 ARG 19 far 0 82 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 839 from cnoeabs.peaks (1.58, 3.18, 43.16 ppm; 3.14 A): 2 out of 12 assignments used, quality = 1.00: * HG2 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 29 - HD2 ARG 19 far 5 99 5 - 3.3-7.8 HB3 LEU 29 - HD3 ARG 19 far 5 99 5 - 4.6-8.4 HB2 ARG 30 - HD2 ARG 19 far 0 94 0 - 6.2-8.8 HB2 ARG 30 - HD3 ARG 19 far 0 94 0 - 6.6-10.6 HB3 GLU 28 - HD3 ARG 19 far 0 90 0 - 7.7-12.1 HB3 GLU 28 - HD2 ARG 19 far 0 90 0 - 7.9-10.7 HG3 LYS 90 - HD3 ARG 19 far 0 100 0 - 8.6-13.3 HG3 LYS 12 - HD2 ARG 19 far 0 99 0 - 9.0-11.9 HG3 LYS 12 - HD3 ARG 19 far 0 99 0 - 9.1-12.2 HG3 LYS 90 - HD2 ARG 19 far 0 100 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 840 from cnoeabs.peaks (1.76, 3.18, 43.16 ppm; 3.11 A): 2 out of 9 assignments used, quality = 1.00: HG3 ARG 19 + HD2 ARG 19 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 ARG 19 + HD3 ARG 19 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 15 - HD2 ARG 19 far 0 75 0 - 5.3-7.1 HB ILE 15 - HD3 ARG 19 far 0 75 0 - 5.4-7.9 HD3 LYS 33 - HD3 ARG 19 far 0 65 0 - 9.1-12.5 HB2 GLU 28 - HD3 ARG 19 far 0 94 0 - 9.2-13.2 HB2 GLU 28 - HD2 ARG 19 far 0 94 0 - 9.2-12.0 HD3 LYS 33 - HD2 ARG 19 far 0 65 0 - 9.7-12.0 HD2 LYS 90 - HD3 ARG 19 far 0 91 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 841 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Reference assignment not found: HD2 ARG 19 - HD3 ARG 19 Peak 842 from cnoeabs.peaks (3.18, 3.18, 43.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 19 + HD3 ARG 19 OK 100 100 - 100 HD2 ARG 19 + HD2 ARG 19 OK 100 100 - 100 Peak 843 from cnoeabs.peaks (7.79, 3.18, 43.16 ppm; 5.09 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 20 + HD3 ARG 19 OK 100 100 100 100 4.2-6.1 6303/3.0=80, 797/3.6=76...(17) H LYS 20 + HD2 ARG 19 OK 100 100 100 100 4.8-6.3 6303/3.0=80, 797/3.6=76...(18) HE ARG 30 - HD2 ARG 19 poor 20 100 20 - 5.3-11.4 HE ARG 30 - HD3 ARG 19 far 15 100 15 - 5.3-12.8 H GLU 28 - HD2 ARG 19 far 0 100 0 - 8.9-11.6 H SER 9 - HD3 ARG 19 far 0 93 0 - 9.0-12.0 H SER 9 - HD2 ARG 19 far 0 93 0 - 9.3-11.6 H GLU 28 - HD3 ARG 19 far 0 100 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 844 from cnoeabs.peaks (7.79, 4.05, 59.30 ppm; 3.35 A): 3 out of 7 assignments used, quality = 1.00: * H LYS 20 + HA LYS 20 OK 100 100 100 100 2.8-2.9 2.9=100 H LYS 20 + HA GLU 16 OK 67 81 100 83 3.9-4.5 6294=30, 6291/6278=23...(18) H GLU 99 + HA GLU 95 OK 34 59 100 59 3.3-4.1 7595/7583=17...(11) HE ARG 30 - HA GLU 16 far 0 80 0 - 8.9-14.6 H GLU 28 - HA LYS 20 far 0 100 0 - 9.2-10.0 H SER 9 - HA GLU 16 far 0 70 0 - 9.4-10.5 HE ARG 30 - HA LYS 20 far 0 100 0 - 9.7-15.1 Violated in 0 structures by 0.00 A. Peak 845 from cnoeabs.peaks (4.05, 4.05, 59.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 20 + HA LYS 20 OK 100 100 - 100 HA GLU 16 + HA GLU 16 OK 79 79 - 100 HA GLU 95 + HA GLU 95 OK 39 39 - 100 Peak 846 from cnoeabs.peaks (1.89, 4.05, 59.30 ppm; 3.13 A): 2 out of 13 assignments used, quality = 1.00: * HB2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ARG 19 + HA GLU 16 OK 64 80 95 84 2.3-4.8 1.8/798=26, 788=18...(18) HB2 ARG 19 - HA LYS 20 far 10 100 10 - 4.0-5.5 HB2 LYS 94 - HA GLU 95 poor 9 35 25 - 3.7-5.6 HB3 GLU 104 - HA GLU 95 far 0 50 0 - 4.8-15.9 HB2 LYS 20 - HA GLU 16 far 0 81 0 - 5.3-6.5 HB2 LYS 12 - HA GLU 16 far 0 62 0 - 5.8-7.2 HB3 LYS 12 - HA GLU 16 far 0 65 0 - 6.9-8.1 HB3 LEU 14 - HA GLU 16 far 0 76 0 - 7.6-7.9 HB2 LYS 13 - HA GLU 16 far 0 60 0 - 7.6-8.1 HB3 LYS 13 - HA GLU 16 far 0 62 0 - 8.1-8.4 HB VAL 5 - HA LYS 20 far 0 81 0 - 8.5-9.5 HB VAL 5 - HA GLU 16 far 0 58 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 847 from cnoeabs.peaks (1.93, 4.05, 59.30 ppm; 3.15 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LYS 20 + HA LYS 20 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 ARG 19 + HA LYS 20 OK 77 100 85 91 3.8-5.1 798=30, 6308/2.9=27...(18) HB3 ARG 19 + HA GLU 16 OK 67 80 100 84 2.5-4.2 798=29, 1.8/788=17...(16) HB2 LYS 94 - HA GLU 95 poor 14 55 25 - 3.7-5.6 HB2 LYS 24 - HA LYS 20 poor 5 81 25 27 4.4-5.8 4.0/6372=19...(4) HB3 LYS 24 - HA LYS 20 far 4 81 5 - 4.6-6.1 HB2 GLU 17 - HA GLU 16 far 0 79 0 - 5.8-6.6 HB3 LYS 20 - HA GLU 16 far 0 81 0 - 6.5-7.4 HB3 LEU 14 - HA GLU 16 far 0 52 0 - 7.6-7.9 HB2 LYS 13 - HA GLU 16 far 0 71 0 - 7.6-8.1 HB2 GLU 17 - HA LYS 20 far 0 100 0 - 7.7-8.6 HB3 LYS 13 - HA GLU 16 far 0 69 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 848 from cnoeabs.peaks (1.46, 4.05, 59.30 ppm; 3.37 A): 2 out of 13 assignments used, quality = 1.00: * HG2 LYS 20 + HA LYS 20 OK 100 100 100 100 2.9-3.6 3.7=77, 882/2.9=41...(74) HG2 LYS 20 + HA GLU 16 OK 39 81 65 73 3.8-5.1 883=24, 10461/3.0=13...(19) QB ALA 22 - HA LYS 20 far 4 90 5 - 4.7-5.7 HG LEU 29 - HA GLU 16 far 0 66 0 - 6.1-7.8 HG2 LYS 12 - HA GLU 16 far 0 76 0 - 6.4-8.6 HG LEU 29 - HA LYS 20 far 0 90 0 - 6.6-8.5 HG12 ILE 7 - HA GLU 16 far 0 50 0 - 7.2-9.4 QB ALA 22 - HA GLU 16 far 0 66 0 - 7.4-8.2 HB2 ARG 91 - HA GLU 95 far 0 39 0 - 7.7-9.3 HB2 LEU 27 - HA LYS 20 far 0 100 0 - 7.7-8.6 HG2 LYS 13 - HA GLU 16 far 0 60 0 - 8.0-8.3 QB ALA 22 - HA GLU 95 far 0 47 0 - 9.1-10.5 HG3 ARG 91 - HA GLU 95 far 0 58 0 - 9.5-10.9 Violated in 16 structures by 0.05 A. Peak 849 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.36 A): 4 out of 17 assignments used, quality = 1.00: * HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 3.3-4.2 3.7=77, 1.8/848=51...(67) HD3 LYS 20 + HA LYS 20 OK 60 100 60 99 4.2-5.5 2.8/848=39, 5.3=26...(96) HD2 LYS 20 + HA GLU 16 OK 49 80 85 71 3.6-6.0 2.8/848=15, 12058/3.0=14...(21) HD2 LYS 20 + HA LYS 20 OK 40 100 40 99 4.0-5.5 2.8/848=39, 5.3=26...(96) HD3 LYS 20 - HA GLU 16 poor 14 81 25 67 3.9-6.6 2.8/848=15, 12145/3.0=10...(19) HD2 LYS 12 - HA GLU 16 far 9 61 15 - 4.6-7.3 HG3 LYS 20 - HA GLU 16 far 4 81 5 - 4.4-6.7 HD3 LYS 12 - HA GLU 16 far 0 61 0 - 5.1-9.0 HD3 LYS 24 - HA LYS 20 far 0 90 0 - 6.0-9.4 HD2 LYS 24 - HA LYS 20 far 0 91 0 - 6.1-8.8 HG12 ILE 15 - HA GLU 16 far 0 70 0 - 6.4-6.4 HB3 ARG 91 - HA GLU 95 far 0 57 0 - 7.1-8.5 HD3 LYS 90 - HA GLU 16 far 0 66 0 - 7.8-11.6 HD2 LYS 13 - HA GLU 16 far 0 61 0 - 8.3-10.5 HD3 LYS 13 - HA GLU 16 far 0 58 0 - 8.3-10.2 HD3 LYS 90 - HA LYS 20 far 0 90 0 - 8.9-11.3 HG2 PRO 86 - HA GLU 16 far 0 71 0 - 9.0-10.7 Violated in 14 structures by 0.09 A. Peak 850 from cnoeabs.peaks (1.68, 4.05, 59.30 ppm; 3.36 A): 4 out of 17 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 3.3-4.2 3.7=77, 1.8/848=51...(67) HD3 LYS 20 + HA LYS 20 OK 60 100 60 99 4.2-5.5 2.8/848=39, 5.3=26...(96) HD2 LYS 20 + HA GLU 16 OK 49 81 85 71 3.6-6.0 2.8/848=15, 12058/3.0=14...(21) * HD2 LYS 20 + HA LYS 20 OK 40 100 40 99 4.0-5.5 2.8/848=39, 5.3=26...(96) HD3 LYS 20 - HA GLU 16 poor 14 80 25 67 3.9-6.6 2.8/848=15, 12145/3.0=10...(19) HD2 LYS 12 - HA GLU 16 far 10 65 15 - 4.6-7.3 HG3 LYS 20 - HA GLU 16 far 4 80 5 - 4.4-6.7 HD3 LYS 12 - HA GLU 16 far 0 65 0 - 5.1-9.0 HD3 LYS 24 - HA LYS 20 far 0 93 0 - 6.0-9.4 HD2 LYS 24 - HA LYS 20 far 0 94 0 - 6.1-8.8 HG12 ILE 15 - HA GLU 16 far 0 73 0 - 6.4-6.4 HB3 ARG 91 - HA GLU 95 far 0 58 0 - 7.1-8.5 HD3 LYS 90 - HA GLU 16 far 0 70 0 - 7.8-11.6 HD2 LYS 13 - HA GLU 16 far 0 65 0 - 8.3-10.5 HD3 LYS 13 - HA GLU 16 far 0 62 0 - 8.3-10.2 HD3 LYS 90 - HA LYS 20 far 0 93 0 - 8.9-11.3 HG2 PRO 86 - HA GLU 16 far 0 74 0 - 9.0-10.7 Violated in 14 structures by 0.09 A. Peak 851 from cnoeabs.peaks (1.67, 4.05, 59.30 ppm; 3.36 A): 4 out of 17 assignments used, quality = 1.00: HG3 LYS 20 + HA LYS 20 OK 100 100 100 100 3.3-4.2 3.7=77, 1.8/848=51...(67) * HD3 LYS 20 + HA LYS 20 OK 60 100 60 99 4.2-5.5 2.8/848=39, 5.3=26...(96) HD2 LYS 20 + HA GLU 16 OK 49 80 85 71 3.6-6.0 2.8/848=15, 12058/3.0=14...(21) HD2 LYS 20 + HA LYS 20 OK 40 100 40 99 4.0-5.5 2.8/848=39, 5.3=26...(96) HD3 LYS 20 - HA GLU 16 poor 14 81 25 67 3.9-6.6 2.8/848=15, 12145/3.0=10...(19) HD2 LYS 12 - HA GLU 16 far 9 61 15 - 4.6-7.3 HG3 LYS 20 - HA GLU 16 far 4 81 5 - 4.4-6.7 HD3 LYS 12 - HA GLU 16 far 0 61 0 - 5.1-9.0 HD3 LYS 24 - HA LYS 20 far 0 90 0 - 6.0-9.4 HD2 LYS 24 - HA LYS 20 far 0 91 0 - 6.1-8.8 HG12 ILE 15 - HA GLU 16 far 0 70 0 - 6.4-6.4 HB3 ARG 91 - HA GLU 95 far 0 57 0 - 7.1-8.5 HD3 LYS 90 - HA GLU 16 far 0 66 0 - 7.8-11.6 HD2 LYS 13 - HA GLU 16 far 0 61 0 - 8.3-10.5 HD3 LYS 13 - HA GLU 16 far 0 58 0 - 8.3-10.2 HD3 LYS 90 - HA LYS 20 far 0 90 0 - 8.9-11.3 HG2 PRO 86 - HA GLU 16 far 0 71 0 - 9.0-10.7 Violated in 14 structures by 0.09 A. Peak 852 from cnoeabs.peaks (2.91, 4.05, 59.30 ppm; 4.78 A): 4 out of 13 assignments used, quality = 1.00: * HE2 LYS 20 + HA LYS 20 OK 100 100 100 100 3.0-5.6 3.6/848=58, 6.3=43...(98) HE3 LYS 20 + HA LYS 20 OK 100 100 100 100 3.2-5.6 3.6/848=58, 6.3=43...(98) HE3 LYS 20 + HA GLU 16 OK 55 81 80 85 2.8-7.5 3.6/848=22, 3.0/850=17...(25) HE2 LYS 20 + HA GLU 16 OK 37 81 55 84 4.0-7.9 3.6/848=22, 3.0/850=17...(21) HE3 LYS 94 - HA GLU 95 poor 15 59 25 - 5.9-8.9 HE2 LYS 94 - HA GLU 95 poor 11 57 20 - 6.1-8.5 HG2 MET 21 - HA LYS 20 far 0 81 0 - 6.6-7.7 HE3 LYS 90 - HA GLU 16 far 0 64 0 - 7.8-11.2 HE3 LYS 90 - HA LYS 20 far 0 87 0 - 8.7-11.6 HG2 MET 21 - HA GLU 16 far 0 58 0 - 8.8-10.1 HE2 LYS 94 - HA LYS 20 far 0 99 0 - 9.0-13.0 HG2 MET 21 - HA GLU 95 far 0 41 0 - 9.2-10.1 HE3 LYS 94 - HA LYS 20 far 0 100 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 853 from cnoeabs.peaks (2.91, 4.05, 59.30 ppm; 4.78 A): 4 out of 13 assignments used, quality = 1.00: HE2 LYS 20 + HA LYS 20 OK 100 100 100 100 3.0-5.6 3.6/848=58, 6.3=43...(98) * HE3 LYS 20 + HA LYS 20 OK 100 100 100 100 3.2-5.6 3.6/848=58, 6.3=43...(98) HE3 LYS 20 + HA GLU 16 OK 55 81 80 85 2.8-7.5 3.6/848=22, 3.0/850=17...(25) HE2 LYS 20 + HA GLU 16 OK 37 81 55 84 4.0-7.9 3.6/848=22, 3.0/850=17...(21) HE3 LYS 94 - HA GLU 95 poor 15 59 25 - 5.9-8.9 HE2 LYS 94 - HA GLU 95 poor 11 57 20 - 6.1-8.5 HG2 MET 21 - HA LYS 20 far 0 82 0 - 6.6-7.7 HE3 LYS 90 - HA GLU 16 far 0 65 0 - 7.8-11.2 HE3 LYS 90 - HA LYS 20 far 0 88 0 - 8.7-11.6 HG2 MET 21 - HA GLU 16 far 0 60 0 - 8.8-10.1 HE2 LYS 94 - HA LYS 20 far 0 100 0 - 9.0-13.0 HG2 MET 21 - HA GLU 95 far 0 42 0 - 9.2-10.1 HE3 LYS 94 - HA LYS 20 far 0 100 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 854 from cnoeabs.peaks (7.68, 4.05, 59.30 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * H MET 21 + HA LYS 20 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 98 + HA GLU 95 OK 30 39 100 76 3.3-4.3 7583=32, 7563/3.6=24...(9) H ALA 25 - HA LYS 20 far 0 84 0 - 6.0-6.6 H MET 21 - HA GLU 16 far 0 81 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 855 from cnoeabs.peaks (8.28, 4.05, 59.30 ppm; 4.11 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 23 + HA LYS 20 OK 100 100 100 100 3.3-3.6 6358=100, 6354/6344=49...(13) H LYS 94 + HA GLU 95 OK 54 55 100 98 5.3-5.5 7528/3.0=72, 7522/3.6=65...(10) H LEU 103 - HA GLU 95 far 0 56 0 - 6.0-12.8 H LEU 27 - HA LYS 20 far 0 68 0 - 7.6-8.0 H GLU 23 - HA GLU 16 far 0 81 0 - 8.2-8.9 Violated in 0 structures by 0.00 A. Peak 856 from cnoeabs.peaks (2.09, 4.05, 59.30 ppm; 3.14 A): 2 out of 15 assignments used, quality = 0.96: * HB2 GLU 23 + HA LYS 20 OK 83 100 100 83 2.5-4.5 1019=32, 6365/6358=32...(7) HB2 GLU 16 + HA GLU 16 OK 77 77 100 100 2.5-3.0 3.0=100 HB2 MET 21 - HA LYS 20 far 0 65 0 - 5.5-6.5 QE MET 21 - HA GLU 95 far 0 55 0 - 6.0-7.6 QE MET 21 - HA LYS 20 far 0 98 0 - 6.0-6.6 HG3 GLU 104 - HA GLU 95 far 0 56 0 - 6.3-14.7 HB2 GLU 16 - HA LYS 20 far 0 99 0 - 6.8-8.5 HB2 PRO 86 - HA GLU 16 far 0 50 0 - 7.3-8.7 HG2 GLU 28 - HA LYS 20 far 0 88 0 - 7.7-11.3 HB2 MET 21 - HA GLU 16 far 0 46 0 - 7.9-9.5 HB3 PRO 86 - HA GLU 16 far 0 71 0 - 7.9-9.5 HB2 GLU 23 - HA GLU 16 far 0 81 0 - 8.3-10.6 HG3 GLU 28 - HA LYS 20 far 0 88 0 - 8.5-11.1 HB2 MET 21 - HA GLU 95 far 0 31 0 - 9.1-11.6 QE MET 21 - HA GLU 16 far 0 76 0 - 9.3-9.7 Violated in 0 structures by 0.00 A. Peak 857 from cnoeabs.peaks (2.15, 4.05, 59.30 ppm; 3.00 A): 3 out of 7 assignments used, quality = 0.98: * HB3 GLU 23 + HA LYS 20 OK 80 100 100 80 2.1-4.1 1.8/856=33, 6366/6358=29...(8) HB3 GLU 16 + HA GLU 16 OK 76 76 100 100 2.2-3.0 3.0=100 HB3 GLU 95 + HA GLU 95 OK 58 58 100 100 2.4-2.7 3.0=100 HG2 GLU 104 - HA GLU 95 far 0 58 0 - 4.9-15.5 HB3 GLU 16 - HA LYS 20 far 0 98 0 - 6.8-8.7 HB2 PRO 86 - HA GLU 16 far 0 49 0 - 7.3-8.7 HB3 GLU 23 - HA GLU 16 far 0 81 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 858 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.97 A): 3 out of 14 assignments used, quality = 1.00: HA LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 * HA GLU 17 + HB2 LYS 20 OK 88 100 100 88 3.6-5.0 894/3.0=29, 732/4.0=24...(17) HA LYS 66 + HB3 LYS 68 OK 41 68 80 76 5.1-5.6 7119/4.6=35, 7102/4.0=30...(8) HA LEU 70 - HB3 LYS 39 poor 17 39 80 54 3.9-6.3 ~1670=12, ~1684=11...(11) HA GLU 16 - HB2 LYS 20 far 5 99 5 - 5.3-6.5 HA GLU 16 - HB2 LYS 12 far 0 62 0 - 5.8-7.2 HA GLU 16 - HB3 LYS 12 far 0 66 0 - 6.9-8.1 HA LEU 70 - HB3 LYS 68 far 0 55 0 - 7.8-8.2 HA LYS 66 - HB3 LYS 39 far 0 49 0 - 8.2-11.6 HA GLU 17 - HB2 LYS 12 far 0 63 0 - 8.9-10.6 HA GLU 17 - HB3 LYS 12 far 0 68 0 - 9.4-11.3 HA ARG 46 - HB3 LYS 39 far 0 53 0 - 9.5-11.1 HA PRO 86 - HB3 LYS 12 far 0 36 0 - 9.6-11.0 HA PRO 86 - HB2 LYS 12 far 0 33 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 859 from cnoeabs.peaks (7.79, 1.89, 32.22 ppm; 4.09 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.7-3.5 4.0=100 H LYS 66 + HB3 LYS 68 OK 72 83 100 86 4.4-4.7 7078/4.0=43, 3.6/2857=30...(11) H TYR 41 - HB3 LYS 39 far 6 42 15 - 5.5-6.4 H SER 9 - HB2 LYS 12 far 0 54 0 - 8.2-9.4 H VAL 78 - HB3 LYS 68 far 0 47 0 - 8.5-10.6 H SER 9 - HB3 LYS 12 far 0 58 0 - 8.7-9.8 H LYS 20 - HB2 LYS 12 far 0 63 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 860 from cnoeabs.peaks (4.05, 1.89, 32.22 ppm; 3.97 A): 3 out of 14 assignments used, quality = 1.00: * HA LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLU 17 + HB2 LYS 20 OK 88 100 100 88 3.6-5.0 894/3.0=29, 732/4.0=24...(17) HA LYS 66 + HB3 LYS 68 OK 40 66 80 76 5.1-5.6 7119/4.6=34, 7102/4.0=30...(8) HA LEU 70 - HB3 LYS 39 poor 17 40 80 54 3.9-6.3 ~1670=12, ~1684=11...(11) HA GLU 16 - HB2 LYS 20 far 5 100 5 - 5.3-6.5 HA GLU 16 - HB2 LYS 12 far 0 62 0 - 5.8-7.2 HA GLU 16 - HB3 LYS 12 far 0 67 0 - 6.9-8.1 HA LEU 70 - HB3 LYS 68 far 0 57 0 - 7.8-8.2 HA LYS 66 - HB3 LYS 39 far 0 48 0 - 8.2-11.6 HA GLU 17 - HB2 LYS 12 far 0 63 0 - 8.9-10.6 HA GLU 17 - HB3 LYS 12 far 0 68 0 - 9.4-11.3 HA ARG 46 - HB3 LYS 39 far 0 52 0 - 9.5-11.1 HA PRO 86 - HB3 LYS 12 far 0 35 0 - 9.6-11.0 HA PRO 86 - HB2 LYS 12 far 0 32 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 861 from cnoeabs.peaks (1.89, 1.89, 32.22 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 HB3 LYS 68 + HB3 LYS 68 OK 77 77 - 100 HB3 LYS 12 + HB3 LYS 12 OK 54 54 - 100 HB2 LYS 12 + HB2 LYS 12 OK 48 48 - 100 HB3 LYS 39 + HB3 LYS 39 OK 47 47 - 100 Peak 862 from cnoeabs.peaks (1.93, 1.89, 32.22 ppm; 2.40 A): 1 out of 24 assignments used, quality = 1.00: * HB3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 42 - HB3 LYS 39 far 0 33 0 - 4.1-6.6 HB3 ARG 19 - HB2 LYS 20 far 0 100 0 - 4.3-6.7 HB3 LYS 13 - HB3 LYS 12 far 0 57 0 - 4.5-5.6 HB2 LYS 73 - HB3 LYS 39 far 0 51 0 - 4.8-6.2 HB3 MET 74 - HB3 LYS 39 far 0 45 0 - 4.8-6.8 HB2 GLU 43 - HB3 LYS 39 far 0 45 0 - 5.0-7.7 HB3 LYS 24 - HB2 LYS 20 far 0 81 0 - 5.1-6.8 HB2 LYS 24 - HB2 LYS 20 far 0 81 0 - 5.3-6.6 HB3 LYS 13 - HB2 LYS 12 far 0 53 0 - 5.7-6.5 HB2 LYS 13 - HB3 LYS 12 far 0 59 0 - 5.8-6.8 HB3 LYS 73 - HB3 LYS 39 far 0 52 0 - 6.0-7.5 HB2 GLU 17 - HB2 LYS 20 far 0 100 0 - 6.3-7.9 HB2 LYS 13 - HB2 LYS 12 far 0 55 0 - 6.7-7.5 HB3 ARG 46 - HB3 LYS 39 far 0 49 0 - 6.9-10.5 HB3 LEU 14 - HB3 LYS 12 far 0 43 0 - 7.0-7.3 HB3 LEU 14 - HB2 LYS 12 far 0 39 0 - 7.3-7.7 HB2 GLU 17 - HB2 LYS 12 far 0 62 0 - 8.5-11.6 HB2 GLU 17 - HB3 LYS 12 far 0 67 0 - 8.5-11.9 HB3 ARG 19 - HB2 LYS 12 far 0 63 0 - 8.7-10.6 HB ILE 8 - HB3 LYS 68 far 0 45 0 - 9.1-10.3 HB2 LYS 94 - HB2 LYS 20 far 0 98 0 - 9.4-14.3 HG LEU 42 - HB3 LYS 68 far 0 47 0 - 9.7-11.1 HB2 LYS 73 - HB3 LYS 68 far 0 71 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 863 from cnoeabs.peaks (1.46, 1.89, 32.22 ppm; 3.35 A): 5 out of 29 assignments used, quality = 1.00: * HG2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.5-2.9 3.0=100 HG2 LYS 12 + HB3 LYS 12 OK 64 64 100 100 2.3-2.8 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 59 59 100 100 2.6-3.0 3.0=100 HG3 LYS 39 + HB3 LYS 39 OK 58 58 100 100 2.3-3.0 3.0=100 HG LEU 64 + HB3 LYS 68 OK 53 71 100 75 3.0-4.2 ~12320=21, ~10242=14...(19) HG2 LYS 13 - HB3 LYS 12 poor 15 49 80 38 4.6-5.5 6167/4.2=15, 6154/4.0=14...(5) HG LEU 38 - HB3 LYS 39 far 3 65 5 - 4.7-8.0 HB3 LEU 64 - HB3 LYS 68 far 0 55 0 - 5.3-6.4 HB2 LEU 38 - HB3 LYS 39 far 0 65 0 - 5.4-6.4 HG2 LYS 13 - HB2 LYS 12 far 0 45 0 - 5.7-6.3 HG2 LYS 73 - HB3 LYS 39 far 0 37 0 - 6.2-8.9 QB ALA 22 - HB2 LYS 20 far 0 90 0 - 6.3-7.3 HG2 LYS 66 - HB3 LYS 68 far 0 54 0 - 6.4-8.5 HD3 LYS 40 - HB3 LYS 39 far 0 63 0 - 6.5-8.9 HG LEU 38 - HB3 LYS 68 far 0 86 0 - 6.8-9.9 HG3 LYS 66 - HB3 LYS 39 far 0 35 0 - 6.9-13.5 HD2 LYS 40 - HB3 LYS 39 far 0 64 0 - 6.9-8.6 HG3 LYS 66 - HB3 LYS 68 far 0 50 0 - 7.4-8.3 HG LEU 29 - HB2 LYS 20 far 0 90 0 - 7.6-10.2 HG13 ILE 76 - HB3 LYS 39 far 0 53 0 - 7.7-9.4 HD2 LYS 82 - HB3 LYS 68 far 0 86 0 - 7.7-11.1 HB2 LEU 38 - HB3 LYS 68 far 0 86 0 - 8.1-9.7 HG2 LYS 66 - HB3 LYS 39 far 0 38 0 - 8.4-13.8 HG2 LYS 73 - HB3 LYS 68 far 0 52 0 - 8.6-10.3 HG12 ILE 7 - HB2 LYS 12 far 0 38 0 - 9.0-11.1 HG2 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.5-11.8 HG12 ILE 7 - HB3 LYS 12 far 0 41 0 - 9.6-11.5 HB2 LEU 27 - HB2 LYS 20 far 0 100 0 - 9.8-10.8 HG3 LYS 39 - HB3 LYS 68 far 0 79 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 864 from cnoeabs.peaks (1.67, 1.89, 32.22 ppm; 3.06 A): 12 out of 44 assignments used, quality = 1.00: * HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 98 100 100 98 2.5-3.7 3.5=65, 6310/4.0=11...(85) HD2 LYS 20 + HB2 LYS 20 OK 98 100 100 98 2.4-3.6 3.5=65, 6311/4.0=11...(85) HD2 LYS 68 + HB3 LYS 68 OK 71 72 100 99 2.9-4.1 3.5=67, ~3033=13...(75) HD3 LYS 68 + HB3 LYS 68 OK 70 71 100 99 2.2-4.2 3.5=67, ~3033=13...(76) HG2 LYS 68 + HB3 LYS 68 OK 57 57 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HB3 LYS 39 OK 54 54 100 99 2.4-4.1 3.6=62, 1726/1.8=27...(44) HD2 LYS 12 + HB3 LYS 12 OK 50 50 100 100 3.4-3.9 3.6=62, ~463=14, ~464=14...(89) HD3 LYS 12 + HB3 LYS 12 OK 50 50 100 100 3.2-4.2 3.6=62, ~463=14, ~464=14...(88) HD2 LYS 12 + HB2 LYS 12 OK 46 46 100 100 2.0-2.9 3.6=62, ~463=14, ~464=14...(89) HD3 LYS 12 + HB2 LYS 12 OK 46 46 100 100 2.1-3.6 3.6=62, ~463=14, ~464=14...(88) HD3 LYS 39 + HB3 LYS 39 OK 39 39 100 99 2.3-3.6 3.6=62, 1726/1.8=25...(46) HD2 LYS 13 - HB3 LYS 12 far 5 50 10 - 4.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 50 0 - 4.6-7.3 HB2 LYS 40 - HB3 LYS 39 far 0 45 0 - 4.9-6.1 HD3 LYS 13 - HB3 LYS 12 far 0 48 0 - 5.2-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 64 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 63 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 63 0 - 5.9-6.8 HG LEU 70 - HB3 LYS 68 far 0 69 0 - 6.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 0 46 0 - 6.0-8.4 HD3 LYS 24 - HB2 LYS 20 far 0 90 0 - 6.1-10.0 HD2 LYS 24 - HB2 LYS 20 far 0 91 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 54 0 - 6.4-7.1 HD3 LYS 66 - HB3 LYS 68 far 0 65 0 - 6.6-7.6 HD3 LYS 13 - HB2 LYS 12 far 0 44 0 - 6.7-8.4 HG12 ILE 15 - HB3 LYS 12 far 0 58 0 - 7.0-7.6 HB ILE 76 - HB3 LYS 39 far 0 43 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 74 0 - 8.1-10.9 HD3 LYS 90 - HB2 LYS 20 far 0 90 0 - 8.3-10.9 HD3 LYS 66 - HB3 LYS 39 far 0 47 0 - 8.3-12.4 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.7-13.0 HD3 LYS 47 - HB3 LYS 39 far 0 64 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 64 0 - 9.2-14.3 HD3 LYS 73 - HB3 LYS 68 far 0 84 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 59 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.3-12.8 HD3 LYS 12 - HB2 LYS 20 far 0 84 0 - 9.5-15.0 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 85 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 66 0 - 9.6-11.4 HD2 LYS 12 - HB2 LYS 20 far 0 84 0 - 9.6-13.5 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 865 from cnoeabs.peaks (1.68, 1.89, 32.22 ppm; 3.06 A): 12 out of 46 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.8-3.0 3.0=100 HD3 LYS 20 + HB2 LYS 20 OK 98 100 100 98 2.5-3.7 3.5=65, 6312/4.0=11...(85) * HD2 LYS 20 + HB2 LYS 20 OK 98 100 100 98 2.4-3.6 3.5=65, 6311/4.0=11...(85) HD2 LYS 68 + HB3 LYS 68 OK 67 68 100 99 2.9-4.1 3.5=67, ~3033=13...(74) HD3 LYS 68 + HB3 LYS 68 OK 66 66 100 99 2.2-4.2 3.5=67, ~3033=13...(76) HD2 LYS 12 + HB3 LYS 12 OK 54 54 100 100 3.4-3.9 3.6=62, ~463=14, ~464=14...(89) HD3 LYS 12 + HB3 LYS 12 OK 54 54 100 100 3.2-4.2 3.6=62, ~463=14, ~464=14...(88) HG2 LYS 68 + HB3 LYS 68 OK 52 52 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HB3 LYS 39 OK 51 51 100 99 2.4-4.1 3.6=62, 1726/1.8=25...(44) HD2 LYS 12 + HB2 LYS 12 OK 50 50 100 100 2.0-2.9 3.6=62, ~463=14, ~464=14...(89) HD3 LYS 12 + HB2 LYS 12 OK 50 50 100 100 2.1-3.6 3.6=62, ~463=14, ~464=14...(88) HD3 LYS 39 + HB3 LYS 39 OK 35 35 100 99 2.3-3.6 3.6=62, 1726/1.8=24...(46) HB3 LEU 70 - HB3 LYS 39 poor 18 33 90 62 2.0-4.6 ~10822=12, ~1670=10...(19) HD2 LYS 13 - HB3 LYS 12 far 5 54 10 - 4.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 53 0 - 4.6-7.3 HB2 LYS 40 - HB3 LYS 39 far 0 42 0 - 4.9-6.1 HD3 LYS 13 - HB3 LYS 12 far 0 52 0 - 5.2-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 62 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 61 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 64 0 - 5.9-6.8 HG LEU 70 - HB3 LYS 68 far 0 73 0 - 6.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 0 50 0 - 6.0-8.4 HD3 LYS 24 - HB2 LYS 20 far 0 93 0 - 6.1-10.0 HD2 LYS 24 - HB2 LYS 20 far 0 94 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 56 0 - 6.4-7.1 HD3 LYS 66 - HB3 LYS 68 far 0 69 0 - 6.6-7.6 HD3 LYS 13 - HB2 LYS 12 far 0 48 0 - 6.7-8.4 HG12 ILE 15 - HB3 LYS 12 far 0 61 0 - 7.0-7.6 HB ILE 76 - HB3 LYS 39 far 0 39 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 71 0 - 8.1-10.9 HD3 LYS 90 - HB2 LYS 20 far 0 93 0 - 8.3-10.9 HD3 LYS 66 - HB3 LYS 39 far 0 50 0 - 8.3-12.4 HB3 LEU 70 - HB3 LYS 68 far 0 47 0 - 8.3-8.8 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.7-13.0 HD3 LYS 47 - HB3 LYS 39 far 0 65 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 65 0 - 9.2-14.3 HD3 LYS 73 - HB3 LYS 68 far 0 82 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 62 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.3-12.8 HD3 LYS 12 - HB2 LYS 20 far 0 88 0 - 9.5-15.0 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 83 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 62 0 - 9.6-11.4 HD2 LYS 12 - HB2 LYS 20 far 0 88 0 - 9.6-13.5 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 866 from cnoeabs.peaks (1.67, 1.89, 32.22 ppm; 3.06 A): 12 out of 44 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 2.8-3.0 3.0=100 * HD3 LYS 20 + HB2 LYS 20 OK 98 100 100 98 2.5-3.7 3.5=65, 6310/4.0=11...(85) HD2 LYS 20 + HB2 LYS 20 OK 98 100 100 98 2.4-3.6 3.5=65, 6311/4.0=11...(85) HD2 LYS 68 + HB3 LYS 68 OK 71 72 100 99 2.9-4.1 3.5=67, ~3033=13...(75) HD3 LYS 68 + HB3 LYS 68 OK 70 71 100 99 2.2-4.2 3.5=67, ~3033=13...(76) HG2 LYS 68 + HB3 LYS 68 OK 57 57 100 100 2.2-3.0 2.9=100 HD2 LYS 39 + HB3 LYS 39 OK 54 54 100 99 2.4-4.1 3.6=62, 1726/1.8=27...(44) HD2 LYS 12 + HB3 LYS 12 OK 50 50 100 100 3.4-3.9 3.6=62, ~463=14, ~464=14...(89) HD3 LYS 12 + HB3 LYS 12 OK 50 50 100 100 3.2-4.2 3.6=62, ~463=14, ~464=14...(88) HD2 LYS 12 + HB2 LYS 12 OK 46 46 100 100 2.0-2.9 3.6=62, ~463=14, ~464=14...(89) HD3 LYS 12 + HB2 LYS 12 OK 46 46 100 100 2.1-3.6 3.6=62, ~463=14, ~464=14...(88) HD3 LYS 39 + HB3 LYS 39 OK 39 39 100 99 2.3-3.6 3.6=62, 1726/1.8=25...(46) HD2 LYS 13 - HB3 LYS 12 far 5 50 10 - 4.4-7.4 HG LEU 70 - HB3 LYS 39 far 0 50 0 - 4.6-7.3 HB2 LYS 40 - HB3 LYS 39 far 0 45 0 - 4.9-6.1 HD3 LYS 13 - HB3 LYS 12 far 0 48 0 - 5.2-7.6 HD2 LYS 73 - HB3 LYS 39 far 0 64 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 63 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 63 0 - 5.9-6.8 HG LEU 70 - HB3 LYS 68 far 0 69 0 - 6.0-7.0 HD2 LYS 13 - HB2 LYS 12 far 0 46 0 - 6.0-8.4 HD3 LYS 24 - HB2 LYS 20 far 0 90 0 - 6.1-10.0 HD2 LYS 24 - HB2 LYS 20 far 0 91 0 - 6.2-9.8 HG12 ILE 15 - HB2 LYS 12 far 0 54 0 - 6.4-7.1 HD3 LYS 66 - HB3 LYS 68 far 0 65 0 - 6.6-7.6 HD3 LYS 13 - HB2 LYS 12 far 0 44 0 - 6.7-8.4 HG12 ILE 15 - HB3 LYS 12 far 0 58 0 - 7.0-7.6 HB ILE 76 - HB3 LYS 39 far 0 43 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 74 0 - 8.1-10.9 HD3 LYS 90 - HB2 LYS 20 far 0 90 0 - 8.3-10.9 HD3 LYS 66 - HB3 LYS 39 far 0 47 0 - 8.3-12.4 HD2 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.7-13.0 HD3 LYS 47 - HB3 LYS 39 far 0 64 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 64 0 - 9.2-14.3 HD3 LYS 73 - HB3 LYS 68 far 0 84 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 59 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.3-12.8 HD3 LYS 12 - HB2 LYS 20 far 0 84 0 - 9.5-15.0 HD3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 85 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 66 0 - 9.6-11.4 HD2 LYS 12 - HB2 LYS 20 far 0 84 0 - 9.6-13.5 HG3 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 867 from cnoeabs.peaks (2.91, 1.89, 32.22 ppm; 4.08 A): 5 out of 22 assignments used, quality = 1.00: * HE2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 1.9-3.5 4.7=64, 6313/4.0=20...(100) HE3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 1.9-3.6 4.7=64, 6314/4.0=20...(100) HE2 LYS 68 + HB3 LYS 68 OK 86 86 100 100 2.9-5.0 5.0=54, 4267/2.9=17...(84) HE3 LYS 68 + HB3 LYS 68 OK 86 86 100 100 2.8-4.4 5.0=54, 4267/2.9=17...(85) HE3 LYS 39 + HB3 LYS 39 OK 37 37 100 100 3.1-5.0 4.9=57, ~1686=23...(43) HE3 LYS 73 - HB3 LYS 39 far 2 38 5 - 5.3-9.9 HE2 LYS 73 - HB3 LYS 39 far 2 32 5 - 4.8-10.0 HG2 MET 21 - HB2 LYS 20 far 0 81 0 - 5.8-8.4 HE3 LYS 66 - HB3 LYS 68 far 0 83 0 - 6.2-9.1 HE3 LYS 66 - HB3 LYS 39 far 0 62 0 - 6.5-12.1 HB2 ASN 10 - HB3 LYS 12 far 0 61 0 - 7.0-8.8 HE2 LYS 66 - HB3 LYS 68 far 0 78 0 - 7.4-9.2 HE2 LYS 66 - HB3 LYS 39 far 0 57 0 - 7.6-13.5 HE3 LYS 90 - HB2 LYS 20 far 0 87 0 - 7.9-10.8 HB2 ASN 10 - HB2 LYS 12 far 0 56 0 - 8.0-9.4 HE3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.1-12.2 HE3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.1-13.0 HE3 LYS 73 - HB3 LYS 68 far 0 54 0 - 9.3-11.7 HE2 LYS 73 - HB3 LYS 68 far 0 45 0 - 9.6-12.5 HE2 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.7-13.0 HE3 LYS 94 - HB2 LYS 20 far 0 100 0 - 9.7-13.6 HE2 LYS 94 - HB2 LYS 20 far 0 99 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 868 from cnoeabs.peaks (2.91, 1.89, 32.22 ppm; 4.08 A): 5 out of 22 assignments used, quality = 1.00: * HE3 LYS 20 + HB2 LYS 20 OK 100 100 100 100 1.9-3.6 4.7=64, 6314/4.0=20...(100) HE2 LYS 20 + HB2 LYS 20 OK 100 100 100 100 1.9-3.5 4.7=64, 6313/4.0=20...(100) HE2 LYS 68 + HB3 LYS 68 OK 86 86 100 100 2.9-5.0 5.0=54, 4267/2.9=17...(84) HE3 LYS 68 + HB3 LYS 68 OK 86 86 100 100 2.8-4.4 5.0=54, 4267/2.9=17...(85) HE3 LYS 39 + HB3 LYS 39 OK 35 35 100 100 3.1-5.0 4.9=57, ~1686=23...(43) HE3 LYS 73 - HB3 LYS 39 far 2 39 5 - 5.3-9.9 HE2 LYS 73 - HB3 LYS 39 far 2 33 5 - 4.8-10.0 HG2 MET 21 - HB2 LYS 20 far 0 82 0 - 5.8-8.4 HE3 LYS 66 - HB3 LYS 68 far 0 82 0 - 6.2-9.1 HE3 LYS 66 - HB3 LYS 39 far 0 61 0 - 6.5-12.1 HB2 ASN 10 - HB3 LYS 12 far 0 62 0 - 7.0-8.8 HE2 LYS 66 - HB3 LYS 68 far 0 77 0 - 7.4-9.2 HE2 LYS 66 - HB3 LYS 39 far 0 56 0 - 7.6-13.5 HE3 LYS 90 - HB2 LYS 20 far 0 88 0 - 7.9-10.8 HB2 ASN 10 - HB2 LYS 12 far 0 57 0 - 8.0-9.4 HE3 LYS 20 - HB2 LYS 12 far 0 63 0 - 8.1-12.2 HE3 LYS 20 - HB3 LYS 12 far 0 68 0 - 9.1-13.0 HE3 LYS 73 - HB3 LYS 68 far 0 55 0 - 9.3-11.7 HE2 LYS 73 - HB3 LYS 68 far 0 47 0 - 9.6-12.5 HE2 LYS 20 - HB2 LYS 12 far 0 63 0 - 9.7-13.0 HE3 LYS 94 - HB2 LYS 20 far 0 100 0 - 9.7-13.6 HE2 LYS 94 - HB2 LYS 20 far 0 100 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 869 from cnoeabs.peaks (7.68, 1.89, 32.22 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * H MET 21 + HB2 LYS 20 OK 100 100 100 100 2.7-4.3 4.6=98, 6315/4.0=71...(17) H LEU 64 - HB3 LYS 68 far 3 55 5 - 6.1-6.7 H ALA 25 - HB2 LYS 20 far 0 84 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 870 from cnoeabs.peaks (4.05, 1.93, 32.22 ppm; 3.23 A): 4 out of 15 assignments used, quality = 1.00: HA LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 70 + HB2 LYS 73 OK 35 46 100 76 2.5-3.4 10813/2.9=19, 10815=17...(16) HA LEU 70 + HB3 LYS 73 OK 32 48 90 74 4.1-4.8 10813/2.9=19...(15) * HA GLU 17 + HB3 LYS 20 OK 29 100 40 72 3.8-5.2 732/871=19, 894/3.0=19...(14) HA GLU 95 - HB2 LYS 94 poor 17 69 25 - 3.7-5.6 HA LYS 20 - HB2 LYS 24 poor 17 58 30 - 4.4-5.8 HA LYS 20 - HB3 LYS 24 far 9 58 15 - 4.6-6.1 HA ARG 46 - HB3 LYS 47 far 0 74 0 - 5.5-6.6 HA GLU 16 - HB3 LYS 20 far 0 99 0 - 6.5-7.4 HB2 SER 49 - HB3 LYS 47 far 0 87 0 - 7.0-9.3 HB2 SER 49 - HB2 MET 1 far 0 55 0 - 7.2-14.4 HA GLU 17 - HB3 LYS 24 far 0 58 0 - 8.1-9.1 HA GLU 17 - HB2 LYS 24 far 0 58 0 - 8.1-9.3 HA LYS 66 - HB2 LYS 73 far 0 57 0 - 8.9-10.2 HA ARG 46 - HB2 LYS 73 far 0 62 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 871 from cnoeabs.peaks (7.79, 1.93, 32.22 ppm; 3.40 A): 1 out of 6 assignments used, quality = 0.98: * H LYS 20 + HB3 LYS 20 OK 98 100 100 98 3.0-3.6 4.0=59, 893/3.0=45...(15) H LYS 20 - HB3 LYS 24 far 0 58 0 - 6.3-7.6 H LYS 20 - HB2 LYS 24 far 0 58 0 - 6.5-7.7 H GLU 99 - HB2 LYS 94 far 0 96 0 - 6.5-8.3 H GLU 99 - HB2 MET 1 far 0 56 0 - 8.3-12.5 H GLU 28 - HB3 LYS 24 far 0 57 0 - 9.6-10.2 Violated in 18 structures by 0.11 A. Peak 872 from cnoeabs.peaks (4.05, 1.93, 32.22 ppm; 3.23 A): 4 out of 15 assignments used, quality = 1.00: * HA LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.3-2.9 3.0=100 HA LEU 70 + HB2 LYS 73 OK 37 47 100 78 2.5-3.4 10813/2.9=20, 10815=18...(16) HA LEU 70 + HB3 LYS 73 OK 34 49 90 76 4.1-4.8 10813/2.9=20...(15) HA GLU 17 + HB3 LYS 20 OK 29 100 40 72 3.8-5.2 732/871=19, 894/3.0=19...(14) HA GLU 95 - HB2 LYS 94 poor 18 71 25 - 3.7-5.6 HA LYS 20 - HB2 LYS 24 poor 17 58 30 - 4.4-5.8 HA LYS 20 - HB3 LYS 24 far 9 58 15 - 4.6-6.1 HA ARG 46 - HB3 LYS 47 far 0 73 0 - 5.5-6.6 HA GLU 16 - HB3 LYS 20 far 0 100 0 - 6.5-7.4 HB2 SER 49 - HB3 LYS 47 far 0 87 0 - 7.0-9.3 HB2 SER 49 - HB2 MET 1 far 0 55 0 - 7.2-14.4 HA GLU 17 - HB3 LYS 24 far 0 58 0 - 8.1-9.1 HA GLU 17 - HB2 LYS 24 far 0 58 0 - 8.1-9.3 HA LYS 66 - HB2 LYS 73 far 0 56 0 - 8.9-10.2 HA ARG 46 - HB2 LYS 73 far 0 61 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 873 from cnoeabs.peaks (1.89, 1.93, 32.22 ppm; 2.40 A): 1 out of 22 assignments used, quality = 1.00: * HB2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 104 - HB2 LYS 94 far 0 86 0 - 4.5-20.2 HB3 LYS 39 - HB2 LYS 73 far 0 55 0 - 4.8-6.2 HB2 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.1-6.8 HB2 LYS 20 - HB2 LYS 24 far 0 58 0 - 5.3-6.6 HB2 ARG 19 - HB3 LYS 20 far 0 100 0 - 5.9-6.8 HB3 LYS 39 - HB3 LYS 73 far 0 57 0 - 6.0-7.5 HB2 LYS 94 - HB3 LYS 24 far 0 34 0 - 6.1-10.5 HB2 GLU 43 - HB3 LYS 47 far 0 79 0 - 6.1-8.8 HG LEU 42 - HB2 LYS 73 far 0 73 0 - 7.2-9.7 HB2 LYS 94 - HB2 LYS 24 far 0 34 0 - 7.7-11.6 HB2 ARG 19 - HB3 LYS 24 far 0 57 0 - 8.4-10.7 HG LEU 42 - HB3 LYS 73 far 0 76 0 - 8.5-11.3 HB2 ARG 19 - HB2 LYS 24 far 0 57 0 - 8.6-11.0 HB2 GLU 43 - HB2 LYS 73 far 0 66 0 - 8.9-10.6 HB2 LYS 20 - HB2 LYS 94 far 0 96 0 - 9.4-14.3 HB2 LYS 94 - HB3 LYS 20 far 0 71 0 - 9.4-12.8 HB VAL 5 - HB3 LYS 24 far 0 40 0 - 9.4-10.3 HB VAL 5 - HB2 LYS 94 far 0 73 0 - 9.5-11.8 HB3 LYS 68 - HB2 LYS 73 far 0 65 0 - 9.8-11.0 HB2 GLU 43 - HB3 LYS 73 far 0 69 0 - 9.9-11.9 HB VAL 5 - HB3 LYS 20 far 0 81 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 874 from cnoeabs.peaks (1.93, 1.93, 32.22 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HB3 LYS 20 + HB3 LYS 20 OK 100 100 - 100 HB2 LYS 94 + HB2 LYS 94 OK 92 92 - 100 HB3 LYS 47 + HB3 LYS 47 OK 85 85 - 100 HB3 LYS 73 + HB3 LYS 73 OK 63 63 - 100 HB2 LYS 73 + HB2 LYS 73 OK 60 60 - 100 HB2 MET 1 + HB2 MET 1 OK 54 54 - 100 HB2 LYS 24 + HB2 LYS 24 OK 40 40 - 100 HB3 LYS 24 + HB3 LYS 24 OK 40 40 - 100 Peak 875 from cnoeabs.peaks (1.46, 1.93, 32.22 ppm; 3.23 A): 4 out of 34 assignments used, quality = 1.00: * HG2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 LYS 47 + HB3 LYS 47 OK 55 55 100 100 2.3-3.0 3.0=100 HG2 LYS 73 + HB3 LYS 73 OK 45 45 100 100 2.5-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 43 43 100 100 2.3-3.0 2.9=100 HG2 LYS 53 - HB2 MET 1 far 0 55 0 - 5.1-6.6 HG3 LYS 53 - HB2 MET 1 far 0 53 0 - 5.1-7.9 HG3 LYS 39 - HB2 LYS 73 far 0 67 0 - 5.2-7.7 HB2 ARG 91 - HB2 LYS 94 far 0 71 0 - 5.4-8.1 QB ALA 22 - HB3 LYS 24 far 0 46 0 - 5.5-6.2 HG2 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.0-8.3 HG2 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.1-8.0 HG3 ARG 91 - HB2 LYS 94 far 0 95 0 - 6.1-8.3 QB ALA 22 - HB3 LYS 20 far 0 90 0 - 6.3-7.0 QB ALA 22 - HB2 LYS 24 far 0 46 0 - 6.4-7.1 QB ALA 22 - HB2 LYS 94 far 0 82 0 - 6.5-9.4 HG3 LYS 39 - HB3 LYS 73 far 0 70 0 - 6.7-8.7 HB2 LEU 27 - HB3 LYS 24 far 0 58 0 - 6.9-8.1 HD2 LYS 53 - HB2 MET 1 far 0 56 0 - 7.0-8.7 HG13 ILE 52 - HB2 MET 1 far 0 56 0 - 7.6-9.5 HG13 ILE 76 - HB2 LYS 73 far 0 62 0 - 7.7-8.9 HG13 ILE 76 - HB3 LYS 47 far 0 74 0 - 7.8-10.0 HG13 ILE 52 - HB3 LYS 47 far 0 88 0 - 7.8-10.5 HB2 LEU 27 - HB2 LYS 24 far 0 58 0 - 7.9-9.4 HG LEU 29 - HB3 LYS 20 far 0 90 0 - 8.0-10.4 HB2 LEU 27 - HB2 LYS 94 far 0 96 0 - 8.1-11.3 HG13 ILE 76 - HB3 LYS 73 far 0 64 0 - 8.3-9.9 HB2 LEU 38 - HB2 LYS 73 far 0 75 0 - 8.6-10.2 HG LEU 29 - HB3 LYS 24 far 0 46 0 - 8.9-11.6 HG LEU 38 - HB2 LYS 73 far 0 75 0 - 9.0-11.1 HG3 LYS 66 - HB2 LYS 73 far 0 42 0 - 9.1-13.1 HB2 LEU 27 - HB3 LYS 20 far 0 100 0 - 9.4-10.4 HG2 LYS 20 - HB2 LYS 94 far 0 96 0 - 9.5-14.4 HD3 LYS 40 - HB3 LYS 47 far 0 86 0 - 9.8-14.4 HG LEU 29 - HB2 LYS 24 far 0 46 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 876 from cnoeabs.peaks (1.67, 1.93, 32.22 ppm; 2.87 A): 13 out of 47 assignments used, quality = 1.00: * HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-2.4 3.0=92, 893/871=27...(49) HD3 LYS 20 + HB3 LYS 20 OK 97 100 100 97 2.7-4.1 3.5=54, 6310/871=12...(82) HD2 LYS 20 + HB3 LYS 20 OK 96 100 100 96 3.3-4.1 3.5=54, 6311/871=12...(82) HD2 LYS 47 + HB3 LYS 47 OK 85 87 100 99 2.5-3.9 3.9=38, 6774/4.0=11...(132) HD3 LYS 47 + HB3 LYS 47 OK 85 86 100 99 2.1-3.8 3.9=38, 6774/4.0=11...(132) HD2 LYS 73 + HB3 LYS 73 OK 75 76 100 99 2.4-3.4 3.6=51, 3298/2.9=19...(129) HD3 LYS 73 + HB3 LYS 73 OK 74 75 100 99 2.1-3.6 3.6=51, 3298/2.9=19...(139) HD2 LYS 73 + HB2 LYS 73 OK 73 73 100 99 2.9-3.3 3.6=51, 3298/2.9=19...(132) HD3 LYS 73 + HB2 LYS 73 OK 72 72 100 99 2.8-3.8 3.6=51, 3298/2.9=19...(143) HD2 LYS 24 + HB3 LYS 24 OK 46 47 100 98 2.2-4.2 3.6=52, ~1096=11...(121) HD2 LYS 24 + HB2 LYS 24 OK 46 47 100 98 2.0-3.7 3.6=52, ~1096=11...(121) HD3 LYS 24 + HB3 LYS 24 OK 45 46 100 98 2.2-3.6 3.6=52, ~1096=11...(121) HD3 LYS 24 + HB2 LYS 24 OK 45 46 100 98 2.1-4.2 3.6=52, ~1096=11...(121) HD3 LYS 24 - HB3 LYS 20 far 4 90 5 - 4.4-8.9 HB3 ARG 91 - HB2 LYS 94 far 0 94 0 - 4.5-7.7 HG3 LYS 20 - HB2 LYS 24 far 0 58 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 91 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.1-7.9 HD2 LYS 24 - HB2 LYS 94 far 0 83 0 - 5.2-11.0 HD3 LYS 39 - HB2 LYS 73 far 0 46 0 - 5.4-7.9 HD2 LYS 39 - HB2 LYS 73 far 0 63 0 - 5.4-8.3 HD3 LYS 24 - HB2 LYS 94 far 0 82 0 - 5.6-12.0 HB3 LYS 53 - HB2 MET 1 far 0 53 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 39 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 58 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 48 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 65 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 90 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 55 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 57 0 - 7.3-9.5 HD3 LYS 90 - HB2 LYS 94 far 0 82 0 - 7.4-10.3 HG LEU 70 - HB3 LYS 73 far 0 61 0 - 7.5-8.3 HB ILE 52 - HB3 LYS 47 far 0 87 0 - 7.6-10.2 HB ILE 76 - HB2 LYS 73 far 0 50 0 - 7.9-8.5 HG2 LYS 68 - HB2 LYS 73 far 0 47 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 46 0 - 8.7-11.5 HG3 LYS 20 - HB2 LYS 94 far 0 96 0 - 8.8-12.9 HD2 LYS 68 - HB2 LYS 73 far 0 61 0 - 8.9-11.8 HB2 LEU 2 - HB3 LYS 47 far 0 66 0 - 9.0-13.4 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 55 0 - 9.4-11.5 HD3 LYS 90 - HB2 LYS 24 far 0 46 0 - 9.7-12.7 HB ILE 76 - HB3 LYS 47 far 0 61 0 - 9.9-12.6 HG2 LYS 68 - HB3 LYS 73 far 0 49 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 877 from cnoeabs.peaks (1.68, 1.93, 32.22 ppm; 2.87 A): 13 out of 49 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-2.4 3.0=92, 893/871=27...(49) HD3 LYS 20 + HB3 LYS 20 OK 96 100 100 97 2.7-4.1 3.5=54, 6310/871=12...(82) * HD2 LYS 20 + HB3 LYS 20 OK 96 100 100 96 3.3-4.1 3.5=54, 6311/871=12...(82) HD2 LYS 47 + HB3 LYS 47 OK 86 87 100 99 2.5-3.9 3.9=38, 6774/4.0=11...(132) HD3 LYS 47 + HB3 LYS 47 OK 86 87 100 99 2.1-3.8 3.9=38, 6774/4.0=11...(132) HD2 LYS 73 + HB3 LYS 73 OK 73 74 100 99 2.4-3.4 3.6=51, 3298/2.9=19...(129) HD3 LYS 73 + HB3 LYS 73 OK 72 73 100 99 2.1-3.6 3.6=51, 3298/2.9=19...(139) HD2 LYS 73 + HB2 LYS 73 OK 71 72 100 99 2.9-3.3 3.6=51, 3298/2.9=19...(132) HD3 LYS 73 + HB2 LYS 73 OK 70 71 100 99 2.8-3.8 3.6=51, 3298/2.9=19...(143) HD2 LYS 24 + HB3 LYS 24 OK 49 50 100 98 2.2-4.2 3.6=52, ~1096=11...(121) HD2 LYS 24 + HB2 LYS 24 OK 49 50 100 98 2.0-3.7 3.6=52, ~1096=11...(121) HD3 LYS 24 + HB3 LYS 24 OK 48 49 100 99 2.2-3.6 3.6=52, ~1096=11...(121) HD3 LYS 24 + HB2 LYS 24 OK 48 49 100 98 2.1-4.2 3.6=52, ~1096=11...(121) HB3 LEU 70 - HB2 LYS 73 poor 13 39 55 60 4.0-4.6 3.0/10815=14, ~10813=10...(16) HD3 LYS 24 - HB3 LYS 20 far 5 93 5 - 4.4-8.9 HB3 ARG 91 - HB2 LYS 94 far 0 95 0 - 4.5-7.7 HG3 LYS 20 - HB2 LYS 24 far 0 57 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 94 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 57 0 - 5.1-7.9 HD2 LYS 24 - HB2 LYS 94 far 0 87 0 - 5.2-11.0 HD3 LYS 39 - HB2 LYS 73 far 0 42 0 - 5.4-7.9 HB3 LEU 70 - HB3 LYS 73 far 0 40 0 - 5.4-6.1 HD2 LYS 39 - HB2 LYS 73 far 0 60 0 - 5.4-8.3 HD3 LYS 24 - HB2 LYS 94 far 0 86 0 - 5.6-12.0 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 42 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 62 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 43 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 62 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 57 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 57 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 93 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 54 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 58 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 58 0 - 7.3-9.5 HD3 LYS 90 - HB2 LYS 94 far 0 86 0 - 7.4-10.3 HG LEU 70 - HB3 LYS 73 far 0 64 0 - 7.5-8.3 HB ILE 52 - HB3 LYS 47 far 0 86 0 - 7.6-10.2 HB ILE 76 - HB2 LYS 73 far 0 46 0 - 7.9-8.5 HG2 LYS 68 - HB2 LYS 73 far 0 43 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 49 0 - 8.7-11.5 HG3 LYS 20 - HB2 LYS 94 far 0 95 0 - 8.8-12.9 HD2 LYS 68 - HB2 LYS 73 far 0 57 0 - 8.9-11.8 HB2 LEU 2 - HB3 LYS 47 far 0 70 0 - 9.0-13.4 HB ILE 76 - HB3 LYS 73 far 0 48 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 58 0 - 9.4-11.5 HD3 LYS 90 - HB2 LYS 24 far 0 49 0 - 9.7-12.7 HB ILE 76 - HB3 LYS 47 far 0 56 0 - 9.9-12.6 HG2 LYS 68 - HB3 LYS 73 far 0 45 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 878 from cnoeabs.peaks (1.67, 1.93, 32.22 ppm; 2.87 A): 13 out of 47 assignments used, quality = 1.00: HG3 LYS 20 + HB3 LYS 20 OK 99 100 100 99 2.2-2.4 3.0=92, 893/871=27...(49) * HD3 LYS 20 + HB3 LYS 20 OK 97 100 100 97 2.7-4.1 3.5=54, 6310/871=12...(82) HD2 LYS 20 + HB3 LYS 20 OK 96 100 100 96 3.3-4.1 3.5=54, 6311/871=12...(82) HD2 LYS 47 + HB3 LYS 47 OK 85 87 100 99 2.5-3.9 3.9=38, 6774/4.0=11...(132) HD3 LYS 47 + HB3 LYS 47 OK 85 86 100 99 2.1-3.8 3.9=38, 6774/4.0=11...(132) HD2 LYS 73 + HB3 LYS 73 OK 75 76 100 99 2.4-3.4 3.6=51, 3298/2.9=19...(129) HD3 LYS 73 + HB3 LYS 73 OK 74 75 100 99 2.1-3.6 3.6=51, 3298/2.9=19...(139) HD2 LYS 73 + HB2 LYS 73 OK 73 73 100 99 2.9-3.3 3.6=51, 3298/2.9=19...(132) HD3 LYS 73 + HB2 LYS 73 OK 72 72 100 99 2.8-3.8 3.6=51, 3298/2.9=19...(143) HD2 LYS 24 + HB3 LYS 24 OK 46 47 100 98 2.2-4.2 3.6=52, ~1096=11...(121) HD2 LYS 24 + HB2 LYS 24 OK 46 47 100 98 2.0-3.7 3.6=52, ~1096=11...(121) HD3 LYS 24 + HB3 LYS 24 OK 45 46 100 98 2.2-3.6 3.6=52, ~1096=11...(121) HD3 LYS 24 + HB2 LYS 24 OK 45 46 100 98 2.1-4.2 3.6=52, ~1096=11...(121) HD3 LYS 24 - HB3 LYS 20 far 4 90 5 - 4.4-8.9 HB3 ARG 91 - HB2 LYS 94 far 0 94 0 - 4.5-7.7 HG3 LYS 20 - HB2 LYS 24 far 0 58 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 91 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.1-7.9 HD2 LYS 24 - HB2 LYS 94 far 0 83 0 - 5.2-11.0 HD3 LYS 39 - HB2 LYS 73 far 0 46 0 - 5.4-7.9 HD2 LYS 39 - HB2 LYS 73 far 0 63 0 - 5.4-8.3 HD3 LYS 24 - HB2 LYS 94 far 0 82 0 - 5.6-12.0 HB3 LYS 53 - HB2 MET 1 far 0 53 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 39 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 58 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 48 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 65 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 58 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 90 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 55 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 57 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 57 0 - 7.3-9.5 HD3 LYS 90 - HB2 LYS 94 far 0 82 0 - 7.4-10.3 HG LEU 70 - HB3 LYS 73 far 0 61 0 - 7.5-8.3 HB ILE 52 - HB3 LYS 47 far 0 87 0 - 7.6-10.2 HB ILE 76 - HB2 LYS 73 far 0 50 0 - 7.9-8.5 HG2 LYS 68 - HB2 LYS 73 far 0 47 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 46 0 - 8.7-11.5 HG3 LYS 20 - HB2 LYS 94 far 0 96 0 - 8.8-12.9 HD2 LYS 68 - HB2 LYS 73 far 0 61 0 - 8.9-11.8 HB2 LEU 2 - HB3 LYS 47 far 0 66 0 - 9.0-13.4 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 55 0 - 9.4-11.5 HD3 LYS 90 - HB2 LYS 24 far 0 46 0 - 9.7-12.7 HB ILE 76 - HB3 LYS 47 far 0 61 0 - 9.9-12.6 HG2 LYS 68 - HB3 LYS 73 far 0 49 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 879 from cnoeabs.peaks (2.91, 1.93, 32.22 ppm; 4.08 A): 10 out of 32 assignments used, quality = 1.00: HE3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.2-4.9 4.7=64, 6314/871=23...(100) * HE2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.4-3.7 4.7=64, 6313/871=23...(100) HE3 LYS 94 + HB2 LYS 94 OK 95 96 100 100 3.7-5.3 4.8=62, 4206/1.8=32...(46) HE2 LYS 94 + HB2 LYS 94 OK 94 94 100 100 3.7-5.4 4.8=62, 4206/1.8=32...(46) HE3 LYS 73 + HB3 LYS 73 OK 46 46 100 100 2.5-4.5 4.9=58, ~3298=12...(129) HG2 MET 21 + HB2 LYS 94 OK 46 73 70 90 4.7-7.9 8534/7513=34, ~995=17...(23) HE3 LYS 73 + HB2 LYS 73 OK 45 45 100 100 2.2-4.7 4.9=58, ~3298=12...(129) HE2 LYS 73 + HB3 LYS 73 OK 39 39 100 100 3.6-4.1 4.9=58, ~3298=12...(132) HE2 LYS 73 + HB2 LYS 73 OK 37 37 100 100 2.7-4.9 4.9=58, ~3298=12...(132) HB2 ASN 51 + HB2 MET 1 OK 31 32 100 97 3.0-5.3 8005/3.0=50, ~8006=34...(16) HE2 LYS 94 - HB3 LYS 24 far 8 56 15 - 4.3-10.2 HE3 LYS 39 - HB2 LYS 73 far 4 43 10 - 3.9-9.0 HE2 LYS 20 - HB2 LYS 24 far 3 58 5 - 5.2-8.2 HE3 LYS 20 - HB2 LYS 24 far 3 58 5 - 5.5-9.3 HE3 LYS 39 - HB3 LYS 73 far 2 45 5 - 4.6-9.6 HG2 MET 21 - HB3 LYS 24 far 2 40 5 - 5.1-6.9 HE2 LYS 94 - HB2 LYS 24 far 0 56 0 - 5.6-11.8 HE3 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.7-9.2 HG2 MET 21 - HB3 LYS 20 far 0 81 0 - 5.8-7.4 HE3 LYS 94 - HB3 LYS 24 far 0 58 0 - 5.9-11.0 HE2 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.1-8.2 HG2 MET 21 - HB2 LYS 24 far 0 40 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 87 0 - 7.0-10.5 HE3 LYS 94 - HB2 LYS 24 far 0 58 0 - 7.1-12.6 HE3 LYS 90 - HB2 LYS 94 far 0 79 0 - 7.4-11.8 HE3 LYS 66 - HB2 LYS 73 far 0 71 0 - 7.8-11.3 HE3 LYS 94 - HB3 LYS 20 far 0 100 0 - 8.0-12.5 HE2 LYS 94 - HB3 LYS 20 far 0 99 0 - 8.1-12.6 HE2 LYS 66 - HB2 LYS 73 far 0 66 0 - 8.2-12.7 HE3 LYS 66 - HB3 LYS 73 far 0 74 0 - 8.8-12.6 HE2 LYS 66 - HB3 LYS 73 far 0 69 0 - 9.0-14.0 HE3 LYS 90 - HB3 LYS 24 far 0 44 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 880 from cnoeabs.peaks (2.91, 1.93, 32.22 ppm; 4.08 A): 10 out of 32 assignments used, quality = 1.00: * HE3 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.2-4.9 4.7=64, 6314/871=23...(100) HE2 LYS 20 + HB3 LYS 20 OK 100 100 100 100 2.4-3.7 4.7=64, 6313/871=23...(100) HE3 LYS 94 + HB2 LYS 94 OK 95 96 100 100 3.7-5.3 4.8=62, 4206/1.8=32...(46) HE2 LYS 94 + HB2 LYS 94 OK 94 94 100 100 3.7-5.4 4.8=62, 4206/1.8=32...(46) HE3 LYS 73 + HB3 LYS 73 OK 48 48 100 100 2.5-4.5 4.9=58, ~3298=12...(129) HG2 MET 21 + HB2 LYS 94 OK 47 75 70 90 4.7-7.9 8534/7513=35, ~995=17...(23) HE3 LYS 73 + HB2 LYS 73 OK 46 46 100 100 2.2-4.7 4.9=58, ~3298=12...(129) HE2 LYS 73 + HB3 LYS 73 OK 40 40 100 100 3.6-4.1 4.9=58, ~3298=12...(132) HE2 LYS 73 + HB2 LYS 73 OK 39 39 100 100 2.7-4.9 4.9=58, ~3298=12...(132) HB2 ASN 51 + HB2 MET 1 OK 32 33 100 97 3.0-5.3 8005/3.0=51, ~8006=34...(16) HE2 LYS 94 - HB3 LYS 24 far 8 56 15 - 4.3-10.2 HE3 LYS 39 - HB2 LYS 73 far 4 42 10 - 3.9-9.0 HE2 LYS 20 - HB2 LYS 24 far 3 58 5 - 5.2-8.2 HE3 LYS 20 - HB2 LYS 24 far 3 58 5 - 5.5-9.3 HE3 LYS 39 - HB3 LYS 73 far 2 43 5 - 4.6-9.6 HG2 MET 21 - HB3 LYS 24 far 2 41 5 - 5.1-6.9 HE2 LYS 94 - HB2 LYS 24 far 0 56 0 - 5.6-11.8 HE3 LYS 20 - HB3 LYS 24 far 0 58 0 - 5.7-9.2 HG2 MET 21 - HB3 LYS 20 far 0 82 0 - 5.8-7.4 HE3 LYS 94 - HB3 LYS 24 far 0 58 0 - 5.9-11.0 HE2 LYS 20 - HB3 LYS 24 far 0 58 0 - 6.1-8.2 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 88 0 - 7.0-10.5 HE3 LYS 94 - HB2 LYS 24 far 0 58 0 - 7.1-12.6 HE3 LYS 90 - HB2 LYS 94 far 0 81 0 - 7.4-11.8 HE3 LYS 66 - HB2 LYS 73 far 0 71 0 - 7.8-11.3 HE3 LYS 94 - HB3 LYS 20 far 0 100 0 - 8.0-12.5 HE2 LYS 94 - HB3 LYS 20 far 0 100 0 - 8.1-12.6 HE2 LYS 66 - HB2 LYS 73 far 0 65 0 - 8.2-12.7 HE3 LYS 66 - HB3 LYS 73 far 0 73 0 - 8.8-12.6 HE2 LYS 66 - HB3 LYS 73 far 0 68 0 - 9.0-14.0 HE3 LYS 90 - HB3 LYS 24 far 0 45 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 881 from cnoeabs.peaks (7.68, 1.93, 32.22 ppm; 3.61 A): 5 out of 12 assignments used, quality = 1.00: * H MET 21 + HB3 LYS 20 OK 98 100 100 98 2.7-4.0 6325=67, 869/1.8=47...(13) H ALA 25 + HB2 LYS 24 OK 41 42 100 98 3.9-4.3 4.4=56, 6397/4.0=36...(22) H ALA 25 + HB3 LYS 24 OK 41 42 100 98 2.7-3.3 4.4=56, 6397/4.0=36...(21) HD22 ASN 51 + HB2 MET 1 OK 30 56 60 90 2.2-6.7 8001/3.0=27, 8036/4.2=22...(18) H MET 21 + HB3 LYS 24 OK 29 58 75 68 4.5-5.7 3.0/957=15, 6325=15...(13) H GLU 98 - HB2 LYS 94 far 4 71 5 - 5.1-6.5 H MET 21 - HB2 LYS 24 far 3 58 5 - 5.0-6.4 H ALA 25 - HB2 LYS 94 far 0 76 0 - 6.0-9.7 H ALA 25 - HB3 LYS 20 far 0 84 0 - 6.7-7.5 H MET 21 - HB2 LYS 94 far 0 96 0 - 7.7-10.7 H GLU 98 - HB2 MET 1 far 0 37 0 - 8.6-12.7 H GLU 98 - HB3 LYS 24 far 0 39 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 882 from cnoeabs.peaks (7.79, 1.46, 25.11 ppm; 4.11 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.4-2.0 893/1.8=81, 871/3.0=73...(23) H VAL 78 - HG3 LYS 53 far 0 53 0 - 6.7-8.9 H VAL 78 - HG2 LYS 53 far 0 57 0 - 6.8-8.6 H GLU 99 - HG3 LYS 53 far 0 94 0 - 7.0-10.0 H SER 9 - HG2 LYS 12 far 0 82 0 - 7.3-10.6 H GLU 99 - HG2 LYS 53 far 0 97 0 - 7.7-11.6 H SER 9 - HG2 LYS 13 far 0 53 0 - 8.6-9.2 H GLU 28 - HG2 LYS 53 far 0 97 0 - 9.3-11.3 H GLU 28 - HG3 LYS 53 far 0 93 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 883 from cnoeabs.peaks (4.05, 1.46, 25.11 ppm; 3.56 A): 3 out of 16 assignments used, quality = 1.00: * HA LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.9-3.6 3.7=92, 2.9/882=46...(76) HA GLU 17 + HG2 LYS 20 OK 89 100 100 89 2.4-4.1 894/1.8=30, 732/882=19...(29) HA GLU 16 + HG2 LYS 20 OK 74 100 95 78 3.8-5.1 848=28, 3.0/10461=16...(19) HA PRO 86 - HG2 LYS 13 far 0 31 0 - 5.7-6.7 HA GLU 16 - HG2 LYS 12 far 0 91 0 - 6.4-8.6 HB3 SER 59 - HG2 LYS 13 far 0 56 0 - 7.7-9.7 HB2 SER 49 - HG2 LYS 53 far 0 97 0 - 7.7-13.2 HA PRO 86 - HG2 LYS 20 far 0 61 0 - 7.9-10.5 HA ARG 46 - HG2 LYS 53 far 0 84 0 - 8.0-12.7 HA GLU 16 - HG2 LYS 13 far 0 61 0 - 8.0-8.3 HA GLU 17 - HG2 LYS 13 far 0 62 0 - 8.4-9.1 HB2 SER 49 - HG3 LYS 53 far 0 93 0 - 8.8-12.9 HA GLU 17 - HG2 LYS 12 far 0 93 0 - 9.1-11.8 HA PRO 86 - HG2 LYS 12 far 0 52 0 - 9.4-11.7 HA ARG 46 - HG3 LYS 53 far 0 80 0 - 9.5-13.0 HB3 SER 59 - HG2 LYS 12 far 0 86 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 884 from cnoeabs.peaks (1.89, 1.46, 25.11 ppm; 3.07 A): 7 out of 22 assignments used, quality = 1.00: * HB2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.5-2.9 3.0=100 HB3 LYS 12 + HG2 LYS 12 OK 77 77 100 100 2.3-2.8 3.0=100 HB2 LYS 12 + HG2 LYS 12 OK 74 74 100 100 2.6-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 47 47 100 100 2.7-2.8 3.0=100 HB2 ARG 19 + HG2 LYS 20 OK 47 100 90 52 3.5-5.1 797/882=25, 788/3.7=11...(12) HB2 LYS 13 + HG2 LYS 13 OK 44 44 100 100 2.8-3.0 3.0=100 HB3 LEU 14 + HG2 LYS 13 OK 42 58 100 72 3.4-3.6 602/6191=17, 1.8/245=10...(30) HB3 LYS 13 - HG2 LYS 12 far 7 74 10 - 3.8-6.9 HB3 LYS 12 - HG2 LYS 13 far 2 49 5 - 4.6-5.5 HB2 LYS 13 - HG2 LYS 12 far 0 71 0 - 4.9-7.9 HB2 LYS 12 - HG2 LYS 13 far 0 47 0 - 5.7-6.3 HB VAL 54 - HG3 LYS 53 far 0 93 0 - 6.0-8.3 HB3 LEU 14 - HG2 LYS 12 far 0 88 0 - 6.8-8.6 HB VAL 54 - HG2 LYS 53 far 0 97 0 - 6.9-7.9 HB2 ARG 19 - HG2 LYS 12 far 0 92 0 - 8.8-12.0 HB VAL 5 - HG2 LYS 20 far 0 81 0 - 9.0-10.2 HB2 LYS 13 - HG2 LYS 20 far 0 82 0 - 9.1-10.3 HB2 LYS 94 - HG2 LYS 20 far 0 71 0 - 9.5-14.4 HB2 LYS 12 - HG2 LYS 20 far 0 85 0 - 9.5-11.8 HB2 LYS 33 - HG2 LYS 12 far 0 70 0 - 9.6-13.6 HB3 LEU 14 - HG2 LYS 20 far 0 98 0 - 9.7-10.6 HB2 ARG 19 - HG2 LYS 13 far 0 62 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 885 from cnoeabs.peaks (1.93, 1.46, 25.11 ppm; 3.20 A): 5 out of 21 assignments used, quality = 1.00: * HB3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 LYS 13 + HG2 LYS 13 OK 54 54 100 100 2.8-3.0 3.0=100 HB3 LYS 13 + HG2 LYS 13 OK 52 52 100 100 2.7-2.8 3.0=100 HB3 ARG 19 + HG2 LYS 20 OK 45 100 80 57 3.1-5.0 4.1/882=27, 798/3.7=17...(10) HB3 LEU 14 + HG2 LYS 13 OK 28 39 100 73 3.4-3.6 3.8/6191=18, 1.8/245=11...(29) HB2 GLU 17 - HG2 LYS 20 poor 16 100 25 63 4.4-6.6 2.9/883=15, 1.8/10434=13...(19) HB3 LYS 13 - HG2 LYS 12 far 8 81 10 - 3.8-6.9 HB2 LYS 13 - HG2 LYS 12 far 0 83 0 - 4.9-7.9 HB2 MET 1 - HG2 LYS 53 far 0 96 0 - 5.1-6.6 HB2 MET 1 - HG3 LYS 53 far 0 92 0 - 5.1-7.9 HB3 LYS 24 - HG2 LYS 20 far 0 81 0 - 6.0-8.3 HB2 LYS 24 - HG2 LYS 20 far 0 81 0 - 6.1-8.0 HB2 GLU 17 - HG2 LYS 13 far 0 61 0 - 6.2-8.8 HB3 LEU 14 - HG2 LYS 12 far 0 63 0 - 6.8-8.6 HB3 ARG 19 - HG2 LYS 12 far 0 92 0 - 8.8-12.1 HB2 GLU 17 - HG2 LYS 12 far 0 91 0 - 8.9-12.4 HB3 ARG 46 - HG2 LYS 53 far 0 80 0 - 8.9-14.4 HB2 LYS 13 - HG2 LYS 20 far 0 94 0 - 9.1-10.3 HB2 LYS 94 - HG2 LYS 20 far 0 98 0 - 9.5-14.4 HB2 LYS 33 - HG2 LYS 12 far 0 84 0 - 9.6-13.6 HB3 LEU 14 - HG2 LYS 20 far 0 73 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 886 from cnoeabs.peaks (1.46, 1.46, 25.11 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 HG2 LYS 53 + HG2 LYS 53 OK 97 97 - 100 HG3 LYS 53 + HG3 LYS 53 OK 90 90 - 100 HG2 LYS 12 + HG2 LYS 12 OK 89 89 - 100 HG2 LYS 13 + HG2 LYS 13 OK 44 44 - 100 Peak 887 from cnoeabs.peaks (1.67, 1.46, 25.11 ppm; 2.42 A): 9 out of 39 assignments used, quality = 1.00: * HG3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 20 + HG2 LYS 20 OK 91 100 100 91 2.4-2.6 2.8=61, 1.8/1729=8...(48) HD3 LYS 20 + HG2 LYS 20 OK 90 100 100 90 2.3-3.0 2.8=61, 1.8/1729=7...(51) HB3 LYS 53 + HG2 LYS 53 OK 87 95 100 92 2.4-3.0 3.0=54, 2451/3.0=27...(31) HB3 LYS 53 + HG3 LYS 53 OK 83 90 100 92 2.4-3.0 3.0=54, 2451/3.0=27...(30) HD2 LYS 12 + HG2 LYS 12 OK 68 73 100 94 2.3-3.0 3.0=53, 3.0/463=22...(58) HD3 LYS 12 + HG2 LYS 12 OK 68 73 100 94 2.3-3.0 3.0=53, 3.0/463=22...(58) HD2 LYS 13 + HG2 LYS 13 OK 41 46 100 91 2.3-2.7 3.0=55, 2.9/474=7...(60) HD3 LYS 13 + HG2 LYS 13 OK 39 43 100 90 2.3-2.7 3.0=55, 2.9/474=7...(56) HB2 LEU 2 - HG2 LYS 53 far 0 77 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 97 0 - 4.9-8.4 HG2 PRO 86 - HG2 LYS 13 far 0 54 0 - 5.3-6.1 HD3 LYS 13 - HG2 LYS 12 far 0 70 0 - 5.3-8.4 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 5.7-10.7 HB2 LEU 2 - HG3 LYS 53 far 0 72 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 93 0 - 5.8-8.1 HD2 LYS 13 - HG2 LYS 12 far 0 73 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 13 far 0 53 0 - 6.1-6.7 HD2 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.1-7.5 HG12 ILE 15 - HG2 LYS 12 far 0 82 0 - 6.2-8.3 HD3 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.4-8.2 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 6.6-11.6 HB3 ARG 79 - HG3 LYS 53 far 0 82 0 - 6.7-9.3 HB3 ARG 79 - HG2 LYS 53 far 0 87 0 - 7.1-10.3 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 7.6-10.9 HB ILE 76 - HG2 LYS 53 far 0 72 0 - 8.4-10.4 HD3 LYS 90 - HG2 LYS 13 far 0 50 0 - 8.5-11.8 HB ILE 76 - HG3 LYS 53 far 0 67 0 - 8.9-11.2 HG2 PRO 86 - HG2 LYS 20 far 0 94 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 92 0 - 9.0-12.7 HG2 PRO 86 - HG2 LYS 12 far 0 83 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.3-12.2 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.3-11.2 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 81 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 93 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 84 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 888 from cnoeabs.peaks (1.68, 1.46, 25.11 ppm; 2.42 A): 9 out of 39 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 * HD2 LYS 20 + HG2 LYS 20 OK 91 100 100 91 2.4-2.6 2.8=61, 1.8/1729=8...(48) HD3 LYS 20 + HG2 LYS 20 OK 90 100 100 90 2.3-3.0 2.8=61, 1.8/1729=7...(51) HB3 LYS 53 + HG2 LYS 53 OK 89 96 100 92 2.4-3.0 3.0=54, 2451/3.0=27...(31) HB3 LYS 53 + HG3 LYS 53 OK 85 92 100 92 2.4-3.0 3.0=54, 2451/3.0=27...(29) HD2 LYS 12 + HG2 LYS 12 OK 73 77 100 94 2.3-3.0 3.0=53, 3.0/463=22...(58) HD3 LYS 12 + HG2 LYS 12 OK 73 77 100 94 2.3-3.0 3.0=53, 3.0/463=22...(58) HD2 LYS 13 + HG2 LYS 13 OK 44 49 100 91 2.3-2.7 3.0=55, 2.9/474=7...(60) HD3 LYS 13 + HG2 LYS 13 OK 42 47 100 91 2.3-2.7 3.0=55, 2.9/474=7...(56) HB2 LEU 2 - HG2 LYS 53 far 0 82 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 96 0 - 4.9-8.4 HG2 PRO 86 - HG2 LYS 13 far 0 56 0 - 5.3-6.1 HD3 LYS 13 - HG2 LYS 12 far 0 74 0 - 5.3-8.4 HD3 LYS 90 - HG2 LYS 20 far 0 93 0 - 5.7-10.7 HB2 LEU 2 - HG3 LYS 53 far 0 77 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 92 0 - 5.8-8.1 HD2 LYS 13 - HG2 LYS 12 far 0 77 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 13 far 0 56 0 - 6.1-6.7 HD2 LYS 12 - HG2 LYS 13 far 0 49 0 - 6.1-7.5 HG12 ILE 15 - HG2 LYS 12 far 0 85 0 - 6.2-8.3 HD3 LYS 12 - HG2 LYS 13 far 0 49 0 - 6.4-8.2 HD3 LYS 24 - HG2 LYS 20 far 0 93 0 - 6.6-11.6 HB3 ARG 79 - HG3 LYS 53 far 0 78 0 - 6.7-9.3 HB3 ARG 79 - HG2 LYS 53 far 0 83 0 - 7.1-10.3 HD2 LYS 24 - HG2 LYS 20 far 0 94 0 - 7.6-10.9 HB ILE 76 - HG2 LYS 53 far 0 66 0 - 8.4-10.4 HD3 LYS 90 - HG2 LYS 13 far 0 53 0 - 8.5-11.8 HB ILE 76 - HG3 LYS 53 far 0 62 0 - 8.9-11.2 HG2 PRO 86 - HG2 LYS 20 far 0 96 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.0-12.7 HG2 PRO 86 - HG2 LYS 12 far 0 86 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 88 0 - 9.3-12.2 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.3-11.2 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 88 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 85 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 96 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 88 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 92 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 889 from cnoeabs.peaks (1.67, 1.46, 25.11 ppm; 2.42 A): 9 out of 39 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 20 + HG2 LYS 20 OK 91 100 100 91 2.4-2.6 2.8=61, 1.8/1729=8...(48) * HD3 LYS 20 + HG2 LYS 20 OK 90 100 100 90 2.3-3.0 2.8=61, 1.8/1729=7...(51) HB3 LYS 53 + HG2 LYS 53 OK 87 95 100 92 2.4-3.0 3.0=54, 2451/3.0=27...(31) HB3 LYS 53 + HG3 LYS 53 OK 83 90 100 92 2.4-3.0 3.0=54, 2451/3.0=27...(30) HD2 LYS 12 + HG2 LYS 12 OK 68 73 100 94 2.3-3.0 3.0=53, 3.0/463=22...(58) HD3 LYS 12 + HG2 LYS 12 OK 68 73 100 94 2.3-3.0 3.0=53, 3.0/463=22...(58) HD2 LYS 13 + HG2 LYS 13 OK 41 46 100 91 2.3-2.7 3.0=55, 2.9/474=7...(60) HD3 LYS 13 + HG2 LYS 13 OK 39 43 100 90 2.3-2.7 3.0=55, 2.9/474=7...(56) HB2 LEU 2 - HG2 LYS 53 far 0 77 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 97 0 - 4.9-8.4 HG2 PRO 86 - HG2 LYS 13 far 0 54 0 - 5.3-6.1 HD3 LYS 13 - HG2 LYS 12 far 0 70 0 - 5.3-8.4 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 5.7-10.7 HB2 LEU 2 - HG3 LYS 53 far 0 72 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 93 0 - 5.8-8.1 HD2 LYS 13 - HG2 LYS 12 far 0 73 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 13 far 0 53 0 - 6.1-6.7 HD2 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.1-7.5 HG12 ILE 15 - HG2 LYS 12 far 0 82 0 - 6.2-8.3 HD3 LYS 12 - HG2 LYS 13 far 0 46 0 - 6.4-8.2 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 6.6-11.6 HB3 ARG 79 - HG3 LYS 53 far 0 82 0 - 6.7-9.3 HB3 ARG 79 - HG2 LYS 53 far 0 87 0 - 7.1-10.3 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 7.6-10.9 HB ILE 76 - HG2 LYS 53 far 0 72 0 - 8.4-10.4 HD3 LYS 90 - HG2 LYS 13 far 0 50 0 - 8.5-11.8 HB ILE 76 - HG3 LYS 53 far 0 67 0 - 8.9-11.2 HG2 PRO 86 - HG2 LYS 20 far 0 94 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 92 0 - 9.0-12.7 HG2 PRO 86 - HG2 LYS 12 far 0 83 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.3-12.2 HD2 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.3-11.2 HD3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 84 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 81 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 93 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 84 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 890 from cnoeabs.peaks (2.91, 1.46, 25.11 ppm; 4.03 A): 2 out of 14 assignments used, quality = 1.00: * HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.5-4.1 3.6=100 HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.5-3.8 3.6=100 HB2 ASN 51 - HG2 LYS 53 poor 20 64 65 48 5.1-7.6 4.6/6863=17, 4.0/9106=16...(8) HG2 MET 21 - HG2 LYS 20 poor 10 81 25 50 5.2-8.1 5.1/6326=16...(8) HB2 ASN 10 - HG2 LYS 12 far 9 85 10 - 5.3-10.3 HE3 LYS 90 - HG2 LYS 20 far 0 87 0 - 5.6-10.2 HB2 ASN 51 - HG3 LYS 53 far 0 60 0 - 5.9-8.4 HE3 LYS 90 - HG2 LYS 13 far 0 48 0 - 7.3-12.4 HB2 ASN 10 - HG2 LYS 13 far 0 56 0 - 7.4-8.2 HE3 LYS 94 - HG2 LYS 20 far 0 100 0 - 8.2-13.6 HE3 LYS 20 - HG2 LYS 12 far 0 93 0 - 8.6-14.8 HE2 LYS 94 - HG2 LYS 20 far 0 99 0 - 8.9-13.4 HE3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.4-13.0 HE2 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.5-15.2 Violated in 0 structures by 0.00 A. Peak 891 from cnoeabs.peaks (2.91, 1.46, 25.11 ppm; 4.03 A): 3 out of 14 assignments used, quality = 1.00: * HE3 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.5-3.8 3.6=100 HE2 LYS 20 + HG2 LYS 20 OK 100 100 100 100 2.5-4.1 3.6=100 HB2 ASN 51 + HG2 LYS 53 OK 21 66 65 48 5.1-7.6 4.6/6863=17, 4.0/9106=16...(8) HG2 MET 21 - HG2 LYS 20 poor 10 82 25 50 5.2-8.1 977/6326=16...(8) HB2 ASN 10 - HG2 LYS 12 far 9 86 10 - 5.3-10.3 HE3 LYS 90 - HG2 LYS 20 far 0 88 0 - 5.6-10.2 HB2 ASN 51 - HG3 LYS 53 far 0 62 0 - 5.9-8.4 HE3 LYS 90 - HG2 LYS 13 far 0 49 0 - 7.3-12.4 HB2 ASN 10 - HG2 LYS 13 far 0 56 0 - 7.4-8.2 HE3 LYS 94 - HG2 LYS 20 far 0 100 0 - 8.2-13.6 HE3 LYS 20 - HG2 LYS 12 far 0 93 0 - 8.6-14.8 HE2 LYS 94 - HG2 LYS 20 far 0 100 0 - 8.9-13.4 HE3 LYS 20 - HG2 LYS 13 far 0 62 0 - 9.4-13.0 HE2 LYS 20 - HG2 LYS 12 far 0 93 0 - 9.5-15.2 Violated in 0 structures by 0.00 A. Peak 892 from cnoeabs.peaks (7.68, 1.46, 25.11 ppm; 6.11 A): 3 out of 7 assignments used, quality = 1.00: * H MET 21 + HG2 LYS 20 OK 100 100 100 100 2.1-4.0 6315/882=96, 869/3.0=94...(23) HD22 ASN 51 + HG2 LYS 53 OK 50 97 80 64 5.4-8.2 6838/9106=32...(6) HD22 ASN 51 + HG3 LYS 53 OK 23 94 55 45 6.4-9.4 8036/8023=25...(5) H ALA 25 - HG2 LYS 20 far 4 84 5 - 7.6-9.2 H GLU 98 - HG3 LYS 53 far 0 69 0 - 7.9-10.2 H SER 85 - HG2 LYS 13 far 0 62 0 - 8.1-9.4 H GLU 98 - HG2 LYS 53 far 0 74 0 - 8.7-11.8 Violated in 0 structures by 0.00 A. Peak 893 from cnoeabs.peaks (7.79, 1.67, 25.11 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.0-3.5 882/1.8=70, 871/3.0=68...(20) Violated in 0 structures by 0.00 A. Peak 894 from cnoeabs.peaks (4.05, 1.67, 25.11 ppm; 3.93 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 20 + HG3 LYS 20 OK 100 100 100 100 3.3-4.2 3.7=100 HA GLU 17 + HG3 LYS 20 OK 92 100 100 92 2.1-4.8 883/1.8=28, 732/893=24...(27) HA GLU 16 - HG3 LYS 20 far 15 100 15 - 4.4-6.7 HA PRO 86 - HG3 LYS 20 far 0 61 0 - 8.5-11.7 Violated in 0 structures by 0.00 A. Peak 895 from cnoeabs.peaks (1.89, 1.67, 25.11 ppm; 3.80 A): 1 out of 8 assignments used, quality = 1.00: * HB2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 ARG 19 - HG3 LYS 20 far 15 100 15 - 5.0-6.7 HB2 LYS 94 - HG3 LYS 20 far 0 71 0 - 8.8-12.9 HB2 LYS 13 - HG3 LYS 20 far 0 82 0 - 8.9-10.9 HB3 LEU 14 - HG3 LYS 20 far 0 98 0 - 9.6-11.9 HB VAL 5 - HG3 LYS 20 far 0 81 0 - 9.7-11.7 HB2 LYS 12 - HG3 LYS 20 far 0 85 0 - 9.8-13.3 HB3 LYS 13 - HG3 LYS 20 far 0 85 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 896 from cnoeabs.peaks (1.93, 1.67, 25.11 ppm; 3.76 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.2-2.4 3.0=100 HB2 GLU 17 + HG3 LYS 20 OK 32 100 40 80 4.0-7.7 2.9/894=27, ~10434=16...(23) HB3 LYS 24 - HG3 LYS 20 far 8 81 10 - 5.1-7.9 HB3 ARG 19 - HG3 LYS 20 far 5 100 5 - 4.5-6.2 HB2 LYS 24 - HG3 LYS 20 far 4 81 5 - 4.9-7.5 HB2 LYS 94 - HG3 LYS 20 far 0 98 0 - 8.8-12.9 HB2 LYS 13 - HG3 LYS 20 far 0 94 0 - 8.9-10.9 HB3 LEU 14 - HG3 LYS 20 far 0 73 0 - 9.6-11.9 HB3 LYS 13 - HG3 LYS 20 far 0 92 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 897 from cnoeabs.peaks (1.46, 1.67, 25.11 ppm; 2.93 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 22 - HG3 LYS 20 far 0 90 0 - 6.4-7.5 HG LEU 29 - HG3 LYS 20 far 0 90 0 - 7.7-10.1 HG3 ARG 91 - HG3 LYS 20 far 0 100 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 898 from cnoeabs.peaks (1.67, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Peak 899 from cnoeabs.peaks (1.68, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Reference assignment not found: HD2 LYS 20 - HG3 LYS 20 Peak 900 from cnoeabs.peaks (1.67, 1.67, 25.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Reference assignment not found: HD3 LYS 20 - HG3 LYS 20 Peak 901 from cnoeabs.peaks (2.91, 1.67, 25.11 ppm; 4.06 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.8 3.6=100 HE3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.5-4.1 3.6=100 HE3 LYS 90 - HG3 LYS 20 far 9 87 10 - 5.1-10.9 HG2 MET 21 - HG3 LYS 20 far 8 81 10 - 5.3-8.6 HE3 LYS 94 - HG3 LYS 20 far 0 100 0 - 7.6-14.1 HE2 LYS 94 - HG3 LYS 20 far 0 99 0 - 7.6-14.0 Violated in 0 structures by 0.00 A. Peak 902 from cnoeabs.peaks (2.91, 1.67, 25.11 ppm; 4.06 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.5-4.1 3.6=100 HE2 LYS 20 + HG3 LYS 20 OK 100 100 100 100 2.4-3.8 3.6=100 HE3 LYS 90 - HG3 LYS 20 far 9 88 10 - 5.1-10.9 HG2 MET 21 - HG3 LYS 20 far 8 82 10 - 5.3-8.6 HE3 LYS 94 - HG3 LYS 20 far 0 100 0 - 7.6-14.1 HE2 LYS 94 - HG3 LYS 20 far 0 100 0 - 7.6-14.0 Violated in 0 structures by 0.00 A. Peak 903 from cnoeabs.peaks (7.68, 1.67, 25.11 ppm; 5.85 A): 1 out of 2 assignments used, quality = 1.00: * H MET 21 + HG3 LYS 20 OK 100 100 100 100 2.4-5.0 6315/893=95, 869/3.0=90...(19) H ALA 25 - HG3 LYS 20 far 0 84 0 - 7.4-9.5 Violated in 0 structures by 0.00 A. Peak 904 from cnoeabs.peaks (7.79, 1.68, 29.19 ppm; 4.12 A): 3 out of 26 assignments used, quality = 1.00: * H LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-4.2 893/2.8=66, 871/3.5=64...(28) H LYS 20 + HD3 LYS 20 OK 100 100 100 100 3.3-4.4 893/2.8=66, 871/3.5=64...(27) H SER 9 + HG12 ILE 15 OK 57 64 100 90 3.5-4.2 8436/2.1=57, 4.0/8320=18...(15) H TYR 41 - HD2 LYS 39 far 2 44 5 - 4.8-8.2 H LYS 66 - HD3 LYS 68 far 0 40 0 - 5.9-8.5 H LYS 66 - HD2 LYS 68 far 0 42 0 - 6.4-8.6 H LYS 20 - HD3 LYS 90 far 0 67 0 - 6.7-9.7 H VAL 78 - HD2 LYS 68 far 0 21 0 - 7.1-11.2 H VAL 78 - HD3 LYS 68 far 0 20 0 - 7.4-10.8 H LYS 20 - HD3 LYS 24 far 0 60 0 - 7.4-11.0 H SER 9 - HD2 LYS 12 far 0 62 0 - 7.7-9.3 H SER 9 - HD3 LYS 12 far 0 62 0 - 8.1-11.0 H LYS 20 - HD2 LYS 24 far 0 62 0 - 8.1-10.8 H LYS 20 - HD2 LYS 12 far 0 73 0 - 8.7-11.6 H LYS 20 - HG12 ILE 15 far 0 74 0 - 8.8-9.4 H LYS 20 - HD3 LYS 12 far 0 73 0 - 9.0-13.3 H SER 9 - HD2 LYS 13 far 0 48 0 - 9.2-11.1 HE ARG 30 - HD2 LYS 47 far 0 99 0 - 9.3-18.0 HE ARG 30 - HG12 ILE 15 far 0 74 0 - 9.3-13.9 H SER 9 - HD3 LYS 13 far 0 44 0 - 9.3-10.4 HE ARG 30 - HD3 LYS 47 far 0 99 0 - 9.5-16.4 H TYR 41 - HD2 LYS 47 far 0 73 0 - 9.5-12.6 H TYR 41 - HD3 LYS 47 far 0 72 0 - 9.5-12.5 H LYS 66 - HD2 LYS 73 far 0 70 0 - 9.6-12.2 H LYS 66 - HD2 LYS 39 far 0 65 0 - 9.9-12.8 H LYS 66 - HD3 LYS 73 far 0 68 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 905 from cnoeabs.peaks (4.05, 1.68, 29.19 ppm; 3.74 A): 8 out of 49 assignments used, quality = 1.00: * HA LYS 20 + HD2 LYS 20 OK 95 100 95 100 4.0-5.5 848/2.8=47, 5.3=36...(99) HA GLU 17 + HD3 LYS 20 OK 89 100 100 89 1.8-4.4 894/2.8=26, 883/2.8=21...(30) HA GLU 17 + HD2 LYS 20 OK 89 100 100 89 1.8-3.6 894/2.8=26, 883/2.8=21...(31) HA LYS 20 + HD3 LYS 20 OK 75 100 75 100 4.2-5.5 848/2.8=47, 5.3=36...(99) HA GLU 16 + HD2 LYS 20 OK 73 100 90 81 3.6-6.0 850=19, 848/2.8=18...(22) HA LEU 70 + HD2 LYS 73 OK 37 46 100 81 2.4-4.4 10813/3.0=28...(15) HA LEU 70 + HD3 LYS 73 OK 36 44 100 80 3.3-4.6 10813/3.0=28...(14) HA GLU 16 + HD3 LYS 20 OK 31 99 40 78 3.9-6.6 848/2.8=18, 850/1.8=16...(20) HA GLU 17 - HD3 LYS 90 poor 18 67 30 87 4.1-7.3 2.9/10433=21, ~12027=21...(42) HA PRO 86 - HD3 LYS 90 poor 17 34 70 71 3.8-6.6 3.5/4043=20...(17) HA PRO 86 - HD2 LYS 13 poor 16 28 85 69 3.8-8.7 ~10957=15, 2.3/3818=8...(22) HA PRO 86 - HD3 LYS 13 poor 15 26 85 69 3.8-8.7 ~10957=15, 2.3/3818=8...(24) HA GLU 16 - HD2 LYS 12 far 11 71 15 - 4.6-7.3 HA LEU 70 - HD2 LYS 39 poor 11 42 25 - 4.2-7.6 HA GLU 16 - HD3 LYS 12 far 7 71 10 - 5.1-9.0 HA LYS 20 - HD3 LYS 24 far 0 60 0 - 6.0-9.4 HA LYS 20 - HD2 LYS 24 far 0 62 0 - 6.1-8.8 HB3 SER 59 - HG12 ILE 15 far 0 68 0 - 6.2-7.9 HA GLU 16 - HG12 ILE 15 far 0 73 0 - 6.4-6.4 HA PRO 86 - HG12 ILE 15 far 0 38 0 - 6.5-7.0 HA ARG 46 - HD3 LYS 47 far 0 87 0 - 6.8-8.2 HA LYS 66 - HD2 LYS 68 far 0 32 0 - 6.8-8.7 HA LYS 66 - HD3 LYS 68 far 0 30 0 - 6.9-9.4 HA LYS 66 - HD2 LYS 73 far 0 54 0 - 7.0-9.6 HB3 SER 59 - HD2 LYS 13 far 0 51 0 - 7.1-11.8 HA GLU 95 - HB3 ARG 91 far 0 76 0 - 7.1-8.5 HB3 SER 59 - HD3 LYS 13 far 0 47 0 - 7.1-10.2 HA GLU 17 - HD3 LYS 13 far 0 53 0 - 7.2-11.0 HA ARG 46 - HD2 LYS 47 far 0 87 0 - 7.2-8.6 HA GLU 17 - HD2 LYS 13 far 0 57 0 - 7.3-10.7 HA LYS 66 - HD3 LYS 73 far 0 52 0 - 7.3-10.6 HA LYS 66 - HD2 LYS 39 far 0 50 0 - 7.5-11.2 HA PRO 86 - HB3 ARG 91 far 0 58 0 - 7.5-9.3 HA LEU 70 - HD2 LYS 68 far 0 26 0 - 7.7-9.6 HA GLU 16 - HD3 LYS 90 far 0 66 0 - 7.8-11.6 HA PRO 86 - HD2 LYS 20 far 0 61 0 - 8.0-10.9 HA GLU 17 - HD3 LYS 24 far 0 60 0 - 8.0-12.2 HA PRO 86 - HD3 LYS 20 far 0 61 0 - 8.2-11.4 HA GLU 16 - HD2 LYS 13 far 0 56 0 - 8.3-10.5 HA GLU 16 - HD3 LYS 13 far 0 52 0 - 8.3-10.2 HA GLU 17 - HD3 LYS 12 far 0 73 0 - 8.4-12.9 HA GLU 17 - HD2 LYS 12 far 0 73 0 - 8.4-11.3 HA GLU 17 - HG12 ILE 15 far 0 74 0 - 8.8-9.0 HA LYS 20 - HD3 LYS 90 far 0 67 0 - 8.9-11.3 HB2 SER 49 - HD3 LYS 47 far 0 98 0 - 9.1-11.9 HA LEU 70 - HD3 LYS 68 far 0 25 0 - 9.2-10.4 HA GLU 17 - HD2 LYS 24 far 0 62 0 - 9.2-12.8 HB2 SER 49 - HD2 LYS 47 far 0 98 0 - 9.6-12.5 HA PRO 86 - HD2 LYS 12 far 0 37 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 906 from cnoeabs.peaks (1.89, 1.68, 29.19 ppm; 3.11 A): 19 out of 89 assignments used, quality = 1.00: HB2 LYS 20 + HD3 LYS 20 OK 98 100 100 98 2.5-3.7 3.5=68, 1.8/2152=12...(70) * HB2 LYS 20 + HD2 LYS 20 OK 98 100 100 98 2.4-3.6 3.5=68, 1.8/2152=12...(70) HB3 LYS 47 + HD2 LYS 47 OK 65 65 100 99 2.5-3.9 3.9=49, 4.0/6774=14...(120) HB3 LYS 47 + HD3 LYS 47 OK 64 65 100 99 2.1-3.8 3.9=49, 4.0/6774=14...(120) HB3 LYS 12 + HD2 LYS 12 OK 57 58 100 99 3.4-3.9 3.6=65, ~463=14, ~464=14...(75) HB3 LYS 12 + HD3 LYS 12 OK 57 58 100 99 3.2-4.2 3.6=65, ~463=14, ~464=14...(75) HB2 LYS 12 + HD2 LYS 12 OK 55 55 100 99 2.0-2.9 3.6=65, ~463=14, ~464=14...(76) HB2 LYS 12 + HD3 LYS 12 OK 55 55 100 99 2.1-3.6 3.6=65, ~463=14, ~464=14...(75) HB3 LYS 39 + HD2 LYS 39 OK 48 49 100 99 2.4-4.1 3.6=65, 1.8/1686=26...(42) HB3 LEU 14 + HG12 ILE 15 OK 43 69 95 65 4.1-4.7 6212/4.6=17...(18) HB3 LYS 13 + HD2 LYS 13 OK 42 43 100 99 2.1-4.2 3.6=65, 3.0/487=18...(86) HB2 LYS 13 + HD2 LYS 13 OK 40 40 100 99 2.2-3.9 3.6=65, 3.0/487=18...(88) HB3 LYS 13 + HD3 LYS 13 OK 39 39 100 99 2.4-4.2 3.6=65, 3.0/487=16...(86) HB3 LYS 68 + HD2 LYS 68 OK 37 38 100 99 2.9-4.1 3.5=70, ~3033=14...(78) HB2 LYS 13 + HD3 LYS 13 OK 37 37 100 99 2.1-4.1 3.6=65, 3.0/487=16...(87) HB3 LYS 68 + HD3 LYS 68 OK 36 36 100 99 2.2-4.2 3.5=70, ~3033=14...(78) HB3 LEU 14 + HD2 LYS 13 OK 30 53 85 67 2.9-6.1 3.1/10406=10, 3.0/3871=7...(24) HB3 LEU 14 + HD3 LYS 13 OK 27 49 85 66 3.1-5.8 3.1/10406=9, ~245=7...(23) HB2 ARG 19 + HD2 LYS 20 OK 23 100 55 42 3.3-7.1 797/5.9=14, 788/5.3=7...(15) HB2 GLU 43 - HD3 LYS 47 far 14 92 15 - 3.5-7.5 HB2 ARG 19 - HD3 LYS 20 far 5 100 5 - 4.6-7.0 HB3 GLU 104 - HB3 ARG 91 far 4 90 5 - 4.0-18.0 HB3 LYS 12 - HD2 LYS 13 far 4 45 10 - 4.4-7.4 HB2 LYS 94 - HB3 ARG 91 far 3 68 5 - 4.5-7.7 HB2 GLU 43 - HD2 LYS 47 lone 3 93 25 11 4.0-7.7 6706/8972=3, 12311/6.3=3...(5) HB2 LYS 94 - HD2 LYS 24 far 0 37 0 - 5.2-11.0 HB3 LYS 12 - HD3 LYS 13 far 0 41 0 - 5.2-7.6 HB3 LYS 39 - HD2 LYS 73 far 0 53 0 - 5.4-8.3 HB3 LYS 13 - HD3 LYS 12 far 0 55 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 36 0 - 5.6-12.0 HB3 LYS 39 - HD3 LYS 73 far 0 51 0 - 5.9-8.3 HB2 LYS 12 - HD2 LYS 13 far 0 43 0 - 6.0-8.4 HB3 LYS 13 - HD2 LYS 12 far 0 55 0 - 6.0-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 60 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 53 0 - 6.2-9.9 HB2 LYS 12 - HG12 ILE 15 far 0 57 0 - 6.4-7.1 HG LEU 42 - HD2 LYS 39 far 0 67 0 - 6.5-8.7 HB2 ARG 19 - HG12 ILE 15 far 0 74 0 - 6.5-8.8 HB2 LYS 13 - HD2 LYS 12 far 0 53 0 - 6.6-9.1 HB3 GLU 104 - HD3 LYS 68 far 0 35 0 - 6.6-18.3 HB2 LYS 12 - HD3 LYS 13 far 0 39 0 - 6.7-8.4 HB2 ARG 19 - HD2 LYS 12 far 0 72 0 - 6.7-10.2 HB2 LYS 13 - HD3 LYS 90 far 0 48 0 - 6.8-10.6 HB3 GLU 104 - HD2 LYS 68 far 0 37 0 - 6.9-19.8 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 6.9-10.2 HB3 LYS 12 - HG12 ILE 15 far 0 59 0 - 7.0-7.6 HB3 LEU 14 - HD3 LYS 90 far 0 62 0 - 7.1-10.1 HB ILE 8 - HG12 ILE 15 far 0 73 0 - 7.2-7.8 HB3 LEU 14 - HD2 LYS 12 far 0 68 0 - 7.2-8.7 HB2 LYS 94 - HD3 LYS 90 far 0 41 0 - 7.4-10.3 HB2 ARG 19 - HD3 LYS 12 far 0 72 0 - 7.4-11.7 HB2 LYS 13 - HD3 LYS 20 far 0 82 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 82 0 - 7.7-9.5 HB3 LYS 66 - HD3 LYS 68 far 0 29 0 - 7.9-10.0 HB2 ARG 19 - HD3 LYS 90 far 0 67 0 - 7.9-11.7 HB2 LYS 13 - HG12 ILE 15 far 0 54 0 - 8.0-8.4 HB3 LEU 14 - HD3 LYS 12 far 0 68 0 - 8.1-9.7 HB3 LYS 13 - HG12 ILE 15 far 0 57 0 - 8.2-8.8 HB2 LYS 20 - HD3 LYS 90 far 0 67 0 - 8.3-10.9 HB3 LYS 66 - HD2 LYS 68 far 0 30 0 - 8.4-9.8 HB3 LYS 13 - HD3 LYS 90 far 0 51 0 - 8.4-12.3 HB3 LYS 66 - HD2 LYS 39 far 0 48 0 - 8.5-11.2 HB3 LYS 13 - HD3 LYS 20 far 0 85 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 85 0 - 8.5-10.3 HB2 LYS 12 - HD2 LYS 20 far 0 85 0 - 8.6-12.2 HG LEU 42 - HD2 LYS 73 far 0 72 0 - 8.6-12.1 HB2 LYS 12 - HD3 LYS 20 far 0 85 0 - 8.7-13.0 HG LEU 42 - HD3 LYS 73 far 0 69 0 - 8.9-12.2 HB VAL 54 - HD3 LYS 68 far 0 42 0 - 9.0-12.3 HB3 LYS 66 - HD2 LYS 73 far 0 52 0 - 9.0-12.2 HB3 LYS 39 - HD3 LYS 47 far 0 79 0 - 9.1-14.0 HB3 LYS 39 - HD2 LYS 47 far 0 80 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 97 0 - 9.2-11.8 HB3 LYS 68 - HD3 LYS 73 far 0 62 0 - 9.3-12.4 HB3 LEU 14 - HD2 LYS 20 far 0 98 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 88 0 - 9.3-12.8 HB2 LYS 33 - HD2 LYS 12 far 0 51 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.5-15.0 HB3 LYS 12 - HD3 LYS 20 far 0 88 0 - 9.5-13.8 HB3 LYS 68 - HD2 LYS 73 far 0 64 0 - 9.5-11.6 HB2 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 51 0 - 9.6-14.5 HB VAL 54 - HD2 LYS 68 far 0 44 0 - 9.8-13.1 HB2 LYS 33 - HG12 ILE 15 far 0 53 0 - 9.8-11.0 HB VAL 5 - HG12 ILE 15 far 0 53 0 - 9.8-10.6 HB3 LYS 66 - HD3 LYS 73 far 0 50 0 - 9.8-12.9 HB2 ARG 19 - HD2 LYS 13 far 0 57 0 - 9.9-14.3 HB3 GLU 104 - HD3 LYS 90 far 0 57 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 907 from cnoeabs.peaks (1.93, 1.68, 29.19 ppm; 3.09 A): 20 out of 95 assignments used, quality = 1.00: HB3 LYS 20 + HD3 LYS 20 OK 98 100 100 98 2.7-4.1 3.5=67, 871/5.9=14...(74) * HB3 LYS 20 + HD2 LYS 20 OK 98 100 100 98 3.3-4.1 3.5=67, 871/5.9=14...(74) HB3 LYS 47 + HD2 LYS 47 OK 97 97 100 99 2.5-3.9 3.9=48, 2146/6774=15...(120) HB3 LYS 47 + HD3 LYS 47 OK 96 97 100 99 2.1-3.8 3.9=48, 2146/6774=15...(120) HB2 LYS 47 + HD2 LYS 47 OK 66 67 100 99 2.6-3.9 3.9=48, 1.8/2153=14...(110) HB2 LYS 47 + HD3 LYS 47 OK 66 67 100 99 2.2-3.7 3.9=48, 1.8/2153=14...(110) HB3 LYS 73 + HD2 LYS 73 OK 59 59 100 99 2.4-3.4 3.6=64, 3.0/3234=13...(129) HB2 LYS 73 + HD2 LYS 73 OK 58 58 100 100 2.9-3.3 3.6=64, 3.0/3234=13...(131) HB3 LYS 73 + HD3 LYS 73 OK 57 57 100 100 2.1-3.6 3.6=64, 3.0/3234=13...(129) HB2 LYS 73 + HD3 LYS 73 OK 56 56 100 100 2.8-3.8 3.6=64, 3.0/3234=13...(131) HB2 LYS 13 + HD2 LYS 13 OK 49 49 100 99 2.2-3.9 3.6=64, 3.0/487=18...(88) HB3 LYS 13 + HD2 LYS 13 OK 47 47 100 99 2.1-4.2 3.6=64, 3.0/487=18...(88) HB2 LYS 13 + HD3 LYS 13 OK 45 45 100 99 2.1-4.1 3.6=64, 3.0/487=16...(88) HB3 LYS 13 + HD3 LYS 13 OK 43 44 100 99 2.4-4.2 3.6=64, 3.0/487=16...(88) HB3 LYS 24 + HD2 LYS 24 OK 42 43 100 99 2.2-4.2 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD2 LYS 24 OK 42 43 100 99 2.0-3.7 3.6=65, ~1096=14...(109) HB3 LYS 24 + HD3 LYS 24 OK 41 41 100 99 2.2-3.6 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD3 LYS 24 OK 41 41 100 99 2.1-4.2 3.6=65, ~1096=14...(109) HB2 GLU 17 + HD3 LYS 90 OK 36 66 65 83 1.9-6.0 12027/2.9=24...(28) HB3 LEU 14 + HG12 ILE 15 OK 23 47 95 51 4.1-4.7 6212/4.6=13...(15) HB2 GLU 17 - HD2 LYS 20 poor 20 100 20 - 3.4-6.6 HB2 GLU 43 - HD2 LYS 47 poor 19 78 25 - 4.0-7.7 HB3 LEU 14 - HD2 LYS 13 poor 19 35 85 63 2.9-6.1 3.1/10406=9, 519/3.0=8...(24) HB3 LEU 14 - HD3 LYS 13 poor 17 32 85 63 3.1-5.8 3.1/10406=9, 519/3.0=8...(23) HB2 GLU 43 - HD3 LYS 47 far 12 78 15 - 3.5-7.5 HB3 ARG 19 - HD2 LYS 20 poor 10 100 25 42 3.8-7.2 4.1/6311=11, 798/5.3=9...(14) HB2 GLU 17 - HD3 LYS 20 far 5 99 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 5 96 5 - 4.5-7.7 HB3 LYS 20 - HD3 LYS 24 far 3 60 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 13 far 3 52 5 - 4.6-10.5 HB2 GLU 17 - HD2 LYS 13 far 0 56 0 - 4.9-10.0 HB3 LYS 20 - HD2 LYS 24 far 0 62 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 100 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 58 0 - 5.2-11.0 HB2 LYS 73 - HD2 LYS 39 far 0 54 0 - 5.4-8.3 HB3 LYS 13 - HD3 LYS 12 far 0 61 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 56 0 - 5.6-12.0 HB3 ARG 46 - HD3 LYS 47 far 0 82 0 - 5.7-7.9 HB3 LYS 13 - HD2 LYS 12 far 0 61 0 - 6.0-8.2 HB3 ARG 46 - HD2 LYS 47 far 0 83 0 - 6.1-8.2 HB2 LYS 13 - HD3 LYS 12 far 0 63 0 - 6.2-9.9 HB3 LYS 73 - HD2 LYS 39 far 0 55 0 - 6.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 97 0 - 6.4-8.2 HG LEU 42 - HD2 LYS 39 far 0 35 0 - 6.5-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 63 0 - 6.6-9.1 HB2 LYS 24 - HD3 LYS 20 far 0 80 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 80 0 - 6.7-9.0 HB3 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.7-10.6 HB3 ARG 19 - HD2 LYS 12 far 0 72 0 - 6.7-10.6 HB2 LYS 13 - HD3 LYS 90 far 0 58 0 - 6.8-10.6 HB3 MET 74 - HD3 LYS 73 far 0 50 0 - 6.9-9.2 HB2 GLU 43 - HD2 LYS 39 far 0 48 0 - 6.9-10.2 HB3 ARG 19 - HG12 ILE 15 far 0 74 0 - 7.0-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 81 0 - 7.1-9.1 HB3 LEU 14 - HD3 LYS 90 far 0 42 0 - 7.1-10.1 HB ILE 8 - HG12 ILE 15 far 0 37 0 - 7.2-7.8 HG3 GLU 88 - HD3 LYS 90 far 0 65 0 - 7.2-9.8 HB3 MET 74 - HD2 LYS 73 far 0 52 0 - 7.2-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 46 0 - 7.2-8.7 HB2 GLU 17 - HG12 ILE 15 far 0 73 0 - 7.2-9.3 HB3 LYS 24 - HD2 LYS 20 far 0 81 0 - 7.3-9.5 HB2 LYS 94 - HD3 LYS 90 far 0 63 0 - 7.4-10.3 HB3 ARG 19 - HD3 LYS 12 far 0 72 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 94 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 94 0 - 7.7-9.5 HB3 MET 74 - HD2 LYS 39 far 0 48 0 - 7.8-10.5 HB3 MET 74 - HD2 LYS 47 far 0 78 0 - 7.9-12.1 HB VAL 32 - HG12 ILE 15 far 0 73 0 - 7.9-9.5 HB2 LYS 13 - HG12 ILE 15 far 0 65 0 - 8.0-8.4 HB3 LEU 14 - HD3 LYS 12 far 0 46 0 - 8.1-9.7 HB3 LYS 13 - HG12 ILE 15 far 0 63 0 - 8.2-8.8 HB3 MET 74 - HD3 LYS 47 far 0 78 0 - 8.3-11.4 HB3 LYS 13 - HD3 LYS 90 far 0 56 0 - 8.4-12.3 HB3 LYS 13 - HD3 LYS 20 far 0 91 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 92 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 55 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 71 0 - 8.5-12.3 HG LEU 42 - HD2 LYS 73 far 0 38 0 - 8.6-12.1 HG3 GLU 88 - HD3 LYS 13 far 0 51 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 98 0 - 8.7-11.0 HB3 LYS 24 - HD3 LYS 90 far 0 47 0 - 8.7-11.5 HB2 GLU 17 - HD3 LYS 12 far 0 71 0 - 8.8-13.7 HB2 LYS 73 - HD2 LYS 68 far 0 34 0 - 8.9-11.8 HG LEU 42 - HD3 LYS 73 far 0 36 0 - 8.9-12.2 HB3 ARG 19 - HD3 LYS 90 far 0 66 0 - 9.2-12.6 HB3 LEU 14 - HD3 LYS 20 far 0 73 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 64 0 - 9.4-13.0 HB3 ARG 19 - HD3 LYS 24 far 0 59 0 - 9.5-13.9 HB3 ARG 46 - HD2 LYS 39 far 0 51 0 - 9.5-13.1 HB VAL 32 - HD2 LYS 39 far 0 67 0 - 9.6-11.5 HB2 LYS 33 - HD3 LYS 12 far 0 64 0 - 9.6-14.5 HB2 LYS 24 - HD3 LYS 90 far 0 47 0 - 9.7-12.7 HB2 LYS 33 - HG12 ILE 15 far 0 66 0 - 9.8-11.0 HB3 ARG 19 - HD2 LYS 24 far 0 61 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 908 from cnoeabs.peaks (1.46, 1.68, 29.19 ppm; 2.44 A): 14 out of 96 assignments used, quality = 1.00: * HG2 LYS 20 + HD2 LYS 20 OK 89 100 100 89 2.4-2.6 2.8=63, 889/1.8=8...(49) HG2 LYS 20 + HD3 LYS 20 OK 89 100 100 89 2.3-3.0 2.8=63, 889/1.8=8...(50) HG3 ARG 91 + HB3 ARG 91 OK 79 98 100 81 2.4-3.0 2.8=63, 7445/3.9=12...(10) HB2 ARG 91 + HB3 ARG 91 OK 76 76 100 100 1.8-1.8 1.8=100 HG2 LYS 12 + HD2 LYS 12 OK 65 68 100 94 2.3-3.0 3.0=55, 463/3.0=22...(58) HG2 LYS 12 + HD3 LYS 12 OK 64 68 100 94 2.3-3.0 3.0=55, 463/3.0=22...(56) HG2 LYS 47 + HD2 LYS 47 OK 61 67 100 91 2.3-3.0 3.0=56, 1.8/2175=12...(55) HG2 LYS 47 + HD3 LYS 47 OK 60 67 100 91 2.3-3.0 3.0=56, 1.8/2175=12...(55) HG3 LYS 39 + HD2 LYS 39 OK 58 61 100 95 2.2-3.0 3.0=56, 1720/1.8=24...(50) HG2 LYS 73 + HD2 LYS 73 OK 38 42 100 90 2.3-3.0 3.0=57, 1.8/3278=9...(49) HG2 LYS 13 + HD2 LYS 13 OK 37 40 100 91 2.3-2.7 3.0=57, 3.9/487=8...(56) HG2 LYS 73 + HD3 LYS 73 OK 36 40 100 90 2.5-3.0 3.0=57, 1.8/3278=9...(49) HG2 LYS 13 + HD3 LYS 13 OK 34 37 100 91 2.3-2.7 3.0=57, 524/1.8=7...(56) HG3 ARG 91 + HD3 LYS 90 OK 23 66 75 45 2.1-4.9 1.8/4039=9, 4056=8...(13) HG12 ILE 7 - HG12 ILE 15 poor 18 46 40 - 2.7-4.5 HG LEU 64 - HD3 LYS 68 poor 11 32 65 53 3.0-5.5 ~12320=9, 2.1/10242=9...(15) HD3 LYS 40 - HD2 LYS 39 far 3 66 5 - 3.8-9.2 HB2 ARG 91 - HD3 LYS 90 far 0 46 0 - 4.0-7.5 HB2 LEU 38 - HD2 LYS 39 far 0 68 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 67 0 - 4.4-10.3 HG LEU 64 - HD2 LYS 68 far 0 34 0 - 4.7-6.5 HG2 LYS 12 - HD3 LYS 13 far 0 49 0 - 5.3-8.4 HG3 LYS 39 - HD2 LYS 73 far 0 66 0 - 5.4-9.2 HG LEU 38 - HD2 LYS 39 far 0 68 0 - 5.6-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 67 0 - 5.7-10.7 HB3 LEU 64 - HD3 LYS 68 far 0 24 0 - 6.0-7.5 HG2 LYS 12 - HD2 LYS 13 far 0 53 0 - 6.0-8.5 HG2 LYS 13 - HG12 ILE 15 far 0 54 0 - 6.1-6.7 HG2 LYS 13 - HD2 LYS 12 far 0 53 0 - 6.1-7.5 HG2 LYS 12 - HG12 ILE 15 far 0 70 0 - 6.2-8.3 HG2 LYS 73 - HD2 LYS 39 far 0 39 0 - 6.3-10.8 HG2 LYS 13 - HD3 LYS 12 far 0 53 0 - 6.4-8.2 HG3 LYS 39 - HD3 LYS 73 far 0 63 0 - 6.4-9.3 HG LEU 29 - HG12 ILE 15 far 0 60 0 - 6.4-8.1 HG2 LYS 20 - HD3 LYS 24 far 0 60 0 - 6.6-11.6 QB ALA 22 - HD2 LYS 24 far 0 49 0 - 6.7-8.9 QB ALA 22 - HD3 LYS 24 far 0 48 0 - 6.7-8.6 HG3 LYS 66 - HD2 LYS 39 far 0 37 0 - 6.9-11.5 QB ALA 22 - HD2 LYS 20 far 0 90 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 90 0 - 7.2-11.2 HD2 LYS 82 - HD3 LYS 68 far 0 42 0 - 7.2-11.4 HG3 LYS 66 - HD2 LYS 73 far 0 40 0 - 7.3-12.3 HB2 LEU 27 - HD3 LYS 24 far 0 60 0 - 7.5-10.8 HB3 LEU 64 - HD2 LYS 68 far 0 26 0 - 7.6-8.8 HG2 LYS 20 - HD2 LYS 24 far 0 62 0 - 7.6-10.9 HG LEU 29 - HD3 LYS 20 far 0 89 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 89 0 - 7.8-8.7 HG12 ILE 7 - HD2 LYS 13 far 0 34 0 - 7.9-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 62 0 - 8.0-11.5 QB ALA 22 - HD3 LYS 90 far 0 54 0 - 8.1-9.7 HG2 LYS 66 - HD3 LYS 68 far 0 24 0 - 8.1-11.3 HG12 ILE 7 - HD3 LYS 13 far 0 31 0 - 8.1-11.4 HD2 LYS 40 - HD3 LYS 47 far 0 98 0 - 8.1-11.9 HG2 LYS 66 - HD2 LYS 39 far 0 40 0 - 8.1-12.5 HG2 LYS 73 - HD2 LYS 68 far 0 24 0 - 8.2-10.3 HB2 LEU 38 - HD2 LYS 73 far 0 73 0 - 8.2-11.6 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 88 0 - 8.4-11.3 HG2 LYS 66 - HD2 LYS 68 far 0 25 0 - 8.4-11.9 HG2 LYS 13 - HD3 LYS 90 far 0 48 0 - 8.5-11.8 HG12 ILE 7 - HD3 LYS 90 far 0 41 0 - 8.6-11.6 QB ALA 22 - HG12 ILE 15 far 0 60 0 - 8.6-9.9 HD2 LYS 40 - HD2 LYS 47 far 0 98 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 100 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 98 0 - 8.8-13.2 HG LEU 38 - HD2 LYS 68 far 0 44 0 - 8.9-13.1 HG2 LYS 66 - HD2 LYS 73 far 0 43 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 73 0 - 8.9-11.3 HG3 LYS 66 - HD3 LYS 73 far 0 39 0 - 8.9-13.7 HD2 LYS 82 - HD2 LYS 68 far 0 44 0 - 9.0-12.0 HB2 LEU 38 - HD3 LYS 73 far 0 71 0 - 9.0-11.6 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 9.0-12.7 HG LEU 29 - HD3 LYS 90 far 0 54 0 - 9.1-12.9 HG LEU 38 - HD3 LYS 73 far 0 71 0 - 9.1-12.5 HG2 LYS 20 - HD2 LYS 12 far 0 73 0 - 9.3-12.2 HG LEU 38 - HD3 LYS 68 far 0 42 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 82 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 82 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 45 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 99 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 73 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 86 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 98 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 53 0 - 9.5-13.3 HG3 LYS 66 - HD3 LYS 68 far 0 22 0 - 9.5-12.2 HG3 ARG 91 - HD2 LYS 13 far 0 56 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 74 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 57 0 - 9.5-12.9 HG2 LYS 12 - HD3 LYS 20 far 0 98 0 - 9.6-13.2 HG3 ARG 91 - HD3 LYS 13 far 0 52 0 - 9.6-14.4 HG3 LYS 39 - HD2 LYS 47 far 0 93 0 - 9.6-16.2 HG3 LYS 66 - HD2 LYS 68 far 0 23 0 - 9.6-11.5 HG LEU 29 - HD2 LYS 12 far 0 59 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 100 0 - 9.8-13.5 HG2 LYS 73 - HD3 LYS 68 far 0 23 0 - 9.9-11.4 HG2 LYS 66 - HD3 LYS 73 far 0 42 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 909 from cnoeabs.peaks (1.67, 1.68, 29.19 ppm; diagonal): 18 out of 18 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 47 + HD2 LYS 47 OK 98 98 - 100 HD3 LYS 47 + HD3 LYS 47 OK 98 98 - 100 HB3 ARG 91 + HB3 ARG 91 OK 97 97 - 100 HD2 LYS 73 + HD2 LYS 73 OK 72 72 - 100 HD3 LYS 73 + HD3 LYS 73 OK 68 68 - 100 HG12 ILE 15 + HG12 ILE 15 OK 64 64 - 100 HD2 LYS 39 + HD2 LYS 39 OK 57 57 - 100 HD3 LYS 90 + HD3 LYS 90 OK 54 54 - 100 HD3 LYS 12 + HD3 LYS 12 OK 54 54 - 100 HD2 LYS 12 + HD2 LYS 12 OK 54 54 - 100 HD2 LYS 24 + HD2 LYS 24 OK 50 50 - 100 HD3 LYS 24 + HD3 LYS 24 OK 48 48 - 100 HD2 LYS 13 + HD2 LYS 13 OK 41 41 - 100 HD3 LYS 13 + HD3 LYS 13 OK 36 36 - 100 HD2 LYS 68 + HD2 LYS 68 OK 35 35 - 100 HD3 LYS 68 + HD3 LYS 68 OK 32 32 - 100 Reference assignment not found: HG3 LYS 20 - HD2 LYS 20 Peak 910 from cnoeabs.peaks (1.68, 1.68, 29.19 ppm; diagonal): 18 out of 18 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 47 + HD2 LYS 47 OK 99 99 - 100 HD3 LYS 47 + HD3 LYS 47 OK 99 99 - 100 HB3 ARG 91 + HB3 ARG 91 OK 98 98 - 100 HD2 LYS 73 + HD2 LYS 73 OK 70 70 - 100 HG12 ILE 15 + HG12 ILE 15 OK 67 67 - 100 HD3 LYS 73 + HD3 LYS 73 OK 67 67 - 100 HD3 LYS 12 + HD3 LYS 12 OK 58 58 - 100 HD2 LYS 12 + HD2 LYS 12 OK 58 58 - 100 HD3 LYS 90 + HD3 LYS 90 OK 57 57 - 100 HD2 LYS 39 + HD2 LYS 39 OK 54 54 - 100 HD2 LYS 24 + HD2 LYS 24 OK 53 53 - 100 HD3 LYS 24 + HD3 LYS 24 OK 51 51 - 100 HD2 LYS 13 + HD2 LYS 13 OK 45 45 - 100 HD3 LYS 13 + HD3 LYS 13 OK 39 39 - 100 HD2 LYS 68 + HD2 LYS 68 OK 32 32 - 100 HD3 LYS 68 + HD3 LYS 68 OK 30 30 - 100 Peak 911 from cnoeabs.peaks (1.67, 1.68, 29.19 ppm; diagonal): 18 out of 18 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 47 + HD2 LYS 47 OK 98 98 - 100 HD3 LYS 47 + HD3 LYS 47 OK 98 98 - 100 HB3 ARG 91 + HB3 ARG 91 OK 97 97 - 100 HD2 LYS 73 + HD2 LYS 73 OK 72 72 - 100 HD3 LYS 73 + HD3 LYS 73 OK 68 68 - 100 HG12 ILE 15 + HG12 ILE 15 OK 64 64 - 100 HD2 LYS 39 + HD2 LYS 39 OK 57 57 - 100 HD3 LYS 90 + HD3 LYS 90 OK 54 54 - 100 HD3 LYS 12 + HD3 LYS 12 OK 54 54 - 100 HD2 LYS 12 + HD2 LYS 12 OK 54 54 - 100 HD2 LYS 24 + HD2 LYS 24 OK 50 50 - 100 HD3 LYS 24 + HD3 LYS 24 OK 48 48 - 100 HD2 LYS 13 + HD2 LYS 13 OK 41 41 - 100 HD3 LYS 13 + HD3 LYS 13 OK 36 36 - 100 HD2 LYS 68 + HD2 LYS 68 OK 35 35 - 100 HD3 LYS 68 + HD3 LYS 68 OK 32 32 - 100 Reference assignment not found: HD3 LYS 20 - HD2 LYS 20 Peak 912 from cnoeabs.peaks (2.91, 1.68, 29.19 ppm; 3.09 A): 14 out of 73 assignments used, quality = 1.00: * HE2 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 52 52 100 100 2.6-3.0 3.0=100 HE2 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.3-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.6-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 43 43 100 100 2.3-2.9 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 42 42 100 100 2.2-3.0 3.0=100 HE3 LYS 68 + HD3 LYS 68 OK 42 42 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 42 42 100 100 2.7-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 39 39 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.2-2.6 3.0=100 HG2 MET 21 - HD3 LYS 90 poor 19 47 40 - 3.7-7.8 HE2 LYS 94 - HB3 ARG 91 poor 17 97 55 31 2.8-9.1 3.9/1820=4, 3.9/1820=4...(13) HE3 LYS 94 - HB3 ARG 91 poor 15 99 50 31 2.9-8.3 3.9/1820=4, 3.9/1820=4...(12) HE2 LYS 94 - HD2 LYS 24 far 6 60 10 - 4.0-12.2 HE3 LYS 90 - HD2 LYS 20 far 4 87 5 - 4.4-9.9 HE3 LYS 39 - HD2 LYS 73 far 4 42 10 - 4.0-9.0 HE2 LYS 94 - HD3 LYS 90 far 3 65 5 - 4.1-10.1 HE2 LYS 94 - HD3 LYS 24 far 3 58 5 - 3.7-12.9 HE3 LYS 39 - HD3 LYS 73 far 2 40 5 - 4.0-9.3 HE3 LYS 73 - HD2 LYS 39 far 2 40 5 - 4.0-10.8 HE2 LYS 73 - HD2 LYS 39 far 2 33 5 - 3.4-11.3 HE2 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.6-10.4 HE3 LYS 94 - HD3 LYS 90 far 0 67 0 - 4.9-10.3 HE3 LYS 94 - HD3 LYS 24 far 0 60 0 - 5.0-13.8 HE3 LYS 90 - HD3 LYS 13 far 0 40 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 44 0 - 5.2-12.7 HE3 LYS 20 - HD3 LYS 24 far 0 60 0 - 5.4-11.7 HE3 LYS 94 - HD2 LYS 24 far 0 62 0 - 5.5-13.1 HE3 LYS 90 - HD3 LYS 20 far 0 86 0 - 5.5-10.8 HE3 LYS 66 - HD2 LYS 73 far 0 69 0 - 5.6-10.7 HE2 LYS 66 - HD2 LYS 73 far 0 65 0 - 5.6-11.5 HE3 LYS 90 - HB3 ARG 91 far 0 84 0 - 5.7-9.5 HE2 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.0-11.5 HG2 MET 21 - HB3 ARG 91 far 0 77 0 - 6.2-8.9 HE2 LYS 66 - HD2 LYS 39 far 0 60 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 81 0 - 6.4-9.7 HE2 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.4-11.9 HE3 LYS 66 - HD2 LYS 39 far 0 65 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 80 0 - 6.6-9.1 HE3 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.7-12.9 HB2 ASN 10 - HD3 LYS 12 far 0 65 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 41 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 47 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 43 0 - 6.8-10.6 HE3 LYS 20 - HD3 LYS 90 far 0 67 0 - 7.2-11.1 HE2 LYS 66 - HD3 LYS 73 far 0 62 0 - 7.2-13.1 HE3 LYS 66 - HD3 LYS 73 far 0 67 0 - 7.2-11.5 HE3 LYS 66 - HD2 LYS 68 far 0 42 0 - 7.3-12.3 HB2 ASN 10 - HG12 ILE 15 far 0 67 0 - 7.4-8.6 HB2 ASN 10 - HD2 LYS 12 far 0 65 0 - 7.5-10.4 HE3 LYS 20 - HD3 LYS 12 far 0 73 0 - 7.5-15.2 HE3 LYS 66 - HD3 LYS 68 far 0 40 0 - 7.5-12.6 HE3 LYS 20 - HD2 LYS 12 far 0 73 0 - 7.8-14.2 HB2 ASN 10 - HD2 LYS 13 far 0 51 0 - 7.8-10.2 HE2 LYS 20 - HD3 LYS 12 far 0 73 0 - 8.0-16.0 HE2 LYS 20 - HD2 LYS 12 far 0 73 0 - 8.2-14.3 HE3 LYS 90 - HD3 LYS 24 far 0 46 0 - 8.4-14.7 HE2 LYS 66 - HD2 LYS 68 far 0 38 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 37 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 58 0 - 8.7-13.2 HE3 LYS 20 - HG12 ILE 15 far 0 74 0 - 9.1-12.9 HE2 LYS 94 - HD2 LYS 20 far 0 99 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 99 0 - 9.4-14.0 HE3 LYS 90 - HD2 LYS 24 far 0 47 0 - 9.6-15.2 HE3 LYS 20 - HD3 LYS 13 far 0 53 0 - 9.6-14.9 HE3 LYS 94 - HD3 LYS 20 far 0 100 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 25 0 - 9.7-12.7 HG2 MET 21 - HD2 LYS 13 far 0 39 0 - 9.9-16.3 HE2 LYS 20 - HG12 ILE 15 far 0 74 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 913 from cnoeabs.peaks (2.91, 1.68, 29.19 ppm; 3.09 A): 14 out of 73 assignments used, quality = 1.00: * HE3 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 53 53 100 100 2.6-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 45 45 100 100 2.3-2.9 3.0=100 HE2 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.3-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 44 44 100 100 2.6-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 43 43 100 100 2.7-3.0 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 42 42 100 100 2.2-3.0 3.0=100 HE3 LYS 68 + HD3 LYS 68 OK 42 42 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 38 38 100 100 2.7-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 37 37 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 36 36 100 100 2.2-2.6 3.0=100 HG2 MET 21 - HD3 LYS 90 poor 19 48 40 - 3.7-7.8 HE2 LYS 94 - HB3 ARG 91 poor 17 98 55 31 2.8-9.1 3.9/1820=4, 3.9/1820=4...(13) HE3 LYS 94 - HB3 ARG 91 poor 15 99 50 31 2.9-8.3 3.9/1820=4, 3.9/1820=4...(12) HE2 LYS 94 - HD2 LYS 24 far 6 60 10 - 4.0-12.2 HE3 LYS 90 - HD2 LYS 20 far 4 88 5 - 4.4-9.9 HE3 LYS 39 - HD2 LYS 73 far 4 40 10 - 4.0-9.0 HE2 LYS 94 - HD3 LYS 90 far 3 66 5 - 4.1-10.1 HE2 LYS 94 - HD3 LYS 24 far 3 59 5 - 3.7-12.9 HE3 LYS 73 - HD2 LYS 39 far 2 41 5 - 4.0-10.8 HE3 LYS 39 - HD3 LYS 73 far 2 39 5 - 4.0-9.3 HE2 LYS 73 - HD2 LYS 39 far 2 35 5 - 3.4-11.3 HE2 LYS 20 - HD3 LYS 24 far 0 60 0 - 4.6-10.4 HE3 LYS 94 - HD3 LYS 90 far 0 67 0 - 4.9-10.3 HE3 LYS 94 - HD3 LYS 24 far 0 60 0 - 5.0-13.8 HE3 LYS 90 - HD3 LYS 13 far 0 41 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 45 0 - 5.2-12.7 HE3 LYS 20 - HD3 LYS 24 far 0 60 0 - 5.4-11.7 HE3 LYS 94 - HD2 LYS 24 far 0 62 0 - 5.5-13.1 HE3 LYS 90 - HD3 LYS 20 far 0 88 0 - 5.5-10.8 HE3 LYS 66 - HD2 LYS 73 far 0 69 0 - 5.6-10.7 HE2 LYS 66 - HD2 LYS 73 far 0 64 0 - 5.6-11.5 HE3 LYS 90 - HB3 ARG 91 far 0 85 0 - 5.7-9.5 HE2 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.0-11.5 HG2 MET 21 - HB3 ARG 91 far 0 79 0 - 6.2-8.9 HE2 LYS 66 - HD2 LYS 39 far 0 59 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 82 0 - 6.4-9.7 HE2 LYS 20 - HD3 LYS 90 far 0 67 0 - 6.4-11.9 HE3 LYS 66 - HD2 LYS 39 far 0 64 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 82 0 - 6.6-9.1 HE3 LYS 20 - HD2 LYS 24 far 0 62 0 - 6.7-12.9 HB2 ASN 10 - HD3 LYS 12 far 0 66 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 43 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 47 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 44 0 - 6.8-10.6 HE3 LYS 20 - HD3 LYS 90 far 0 67 0 - 7.2-11.1 HE2 LYS 66 - HD3 LYS 73 far 0 62 0 - 7.2-13.1 HE3 LYS 66 - HD3 LYS 73 far 0 67 0 - 7.2-11.5 HE3 LYS 66 - HD2 LYS 68 far 0 41 0 - 7.3-12.3 HB2 ASN 10 - HG12 ILE 15 far 0 68 0 - 7.4-8.6 HB2 ASN 10 - HD2 LYS 12 far 0 66 0 - 7.5-10.4 HE3 LYS 20 - HD3 LYS 12 far 0 73 0 - 7.5-15.2 HE3 LYS 66 - HD3 LYS 68 far 0 39 0 - 7.5-12.6 HE3 LYS 20 - HD2 LYS 12 far 0 73 0 - 7.8-14.2 HB2 ASN 10 - HD2 LYS 13 far 0 51 0 - 7.8-10.2 HE2 LYS 20 - HD3 LYS 12 far 0 73 0 - 8.0-16.0 HE2 LYS 20 - HD2 LYS 12 far 0 73 0 - 8.2-14.3 HE3 LYS 90 - HD3 LYS 24 far 0 47 0 - 8.4-14.7 HE2 LYS 66 - HD2 LYS 68 far 0 38 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 36 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 59 0 - 8.7-13.2 HE3 LYS 20 - HG12 ILE 15 far 0 74 0 - 9.1-12.9 HE2 LYS 94 - HD2 LYS 20 far 0 100 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 99 0 - 9.4-14.0 HE3 LYS 90 - HD2 LYS 24 far 0 48 0 - 9.6-15.2 HE3 LYS 20 - HD3 LYS 13 far 0 53 0 - 9.6-14.9 HE3 LYS 94 - HD3 LYS 20 far 0 100 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 26 0 - 9.7-12.7 HG2 MET 21 - HD2 LYS 13 far 0 40 0 - 9.9-16.3 HE2 LYS 20 - HG12 ILE 15 far 0 74 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 914 from cnoeabs.peaks (7.68, 1.68, 29.19 ppm; 5.07 A): 4 out of 20 assignments used, quality = 1.00: * H MET 21 + HD2 LYS 20 OK 100 100 100 100 3.7-5.6 869/3.5=69, 6325/3.5=57...(14) H MET 21 + HD3 LYS 20 OK 100 100 100 100 4.5-5.7 869/3.5=69, 6325/3.5=57...(14) H ALA 25 + HD2 LYS 24 OK 45 45 100 99 3.2-5.9 6402/3.0=55, 6403=36...(16) H ALA 25 + HD3 LYS 24 OK 43 44 100 99 3.2-5.8 6402/3.0=55, 6403=36...(16) H MET 21 - HD3 LYS 90 far 10 67 15 - 5.8-8.1 H SER 85 - HD3 LYS 13 far 5 52 10 - 6.3-10.2 H MET 21 - HD3 LYS 24 far 3 60 5 - 5.8-9.1 H SER 85 - HD2 LYS 13 far 3 57 5 - 6.4-11.4 H MET 21 - HD2 LYS 24 far 0 62 0 - 6.9-9.2 H LEU 64 - HD3 LYS 68 far 0 24 0 - 6.9-9.2 H SER 85 - HD3 LYS 90 far 0 67 0 - 7.6-10.5 H LEU 64 - HD2 LYS 68 far 0 26 0 - 8.1-9.9 H GLU 98 - HD2 LYS 24 far 0 42 0 - 8.2-13.1 H SER 85 - HB3 ARG 91 far 0 98 0 - 8.4-10.3 H SER 85 - HG12 ILE 15 far 0 74 0 - 8.7-10.2 H GLU 98 - HD3 LYS 24 far 0 40 0 - 9.0-13.2 H ALA 25 - HD3 LYS 20 far 0 83 0 - 9.3-10.8 H ALA 25 - HD2 LYS 20 far 0 84 0 - 9.5-10.9 H MET 21 - HG12 ILE 15 far 0 74 0 - 9.9-10.4 H MET 21 - HB3 ARG 91 far 0 99 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 915 from cnoeabs.peaks (7.79, 1.67, 29.19 ppm; 4.12 A): 3 out of 26 assignments used, quality = 1.00: * H LYS 20 + HD3 LYS 20 OK 100 100 100 100 3.3-4.4 893/2.8=66, 871/3.5=64...(27) H LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-4.2 893/2.8=66, 871/3.5=64...(28) H SER 9 + HG12 ILE 15 OK 52 59 100 88 3.5-4.2 8436/2.1=57, 304/3.2=18...(14) H TYR 41 - HD2 LYS 39 far 2 49 5 - 4.8-8.2 H LYS 66 - HD3 LYS 68 far 0 46 0 - 5.9-8.5 H LYS 66 - HD2 LYS 68 far 0 47 0 - 6.4-8.6 H LYS 20 - HD3 LYS 90 far 0 61 0 - 6.7-9.7 H VAL 78 - HD2 LYS 68 far 0 24 0 - 7.1-11.2 H VAL 78 - HD3 LYS 68 far 0 23 0 - 7.4-10.8 H LYS 20 - HD3 LYS 24 far 0 54 0 - 7.4-11.0 H SER 9 - HD2 LYS 12 far 0 55 0 - 7.7-9.3 H SER 9 - HD3 LYS 12 far 0 55 0 - 8.1-11.0 H LYS 20 - HD2 LYS 24 far 0 56 0 - 8.1-10.8 H LYS 20 - HD2 LYS 12 far 0 65 0 - 8.7-11.6 H LYS 20 - HG12 ILE 15 far 0 69 0 - 8.8-9.4 H LYS 20 - HD3 LYS 12 far 0 65 0 - 9.0-13.3 H SER 9 - HD2 LYS 13 far 0 43 0 - 9.2-11.1 HE ARG 30 - HD2 LYS 47 far 0 98 0 - 9.3-18.0 HE ARG 30 - HG12 ILE 15 far 0 69 0 - 9.3-13.9 H SER 9 - HD3 LYS 13 far 0 39 0 - 9.3-10.4 HE ARG 30 - HD3 LYS 47 far 0 98 0 - 9.5-16.4 H TYR 41 - HD2 LYS 47 far 0 71 0 - 9.5-12.6 H TYR 41 - HD3 LYS 47 far 0 71 0 - 9.5-12.5 H LYS 66 - HD2 LYS 73 far 0 73 0 - 9.6-12.2 H LYS 66 - HD2 LYS 39 far 0 72 0 - 9.9-12.8 H LYS 66 - HD3 LYS 73 far 0 71 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 916 from cnoeabs.peaks (4.05, 1.67, 29.19 ppm; 3.74 A): 8 out of 49 assignments used, quality = 1.00: HA LYS 20 + HD2 LYS 20 OK 95 100 95 100 4.0-5.5 848/2.8=47, 5.3=36...(99) HA GLU 17 + HD3 LYS 20 OK 89 100 100 89 1.8-4.4 894/2.8=26, 883/2.8=21...(30) HA GLU 17 + HD2 LYS 20 OK 88 100 100 89 1.8-3.6 894/2.8=26, 883/2.8=21...(31) * HA LYS 20 + HD3 LYS 20 OK 75 100 75 100 4.2-5.5 848/2.8=47, 5.3=36...(99) HA GLU 16 + HD2 LYS 20 OK 72 99 90 81 3.6-6.0 850=19, 848/2.8=18...(22) HA LEU 70 + HD2 LYS 73 OK 39 48 100 81 2.4-4.4 10813/3.0=28...(15) HA LEU 70 + HD3 LYS 73 OK 38 47 100 80 3.3-4.6 10813/3.0=28...(14) HA GLU 16 + HD3 LYS 20 OK 31 100 40 78 3.9-6.6 848/2.8=18, 850/1.8=16...(20) HA PRO 86 - HD3 LYS 13 poor 19 22 85 - 3.8-8.7 HA GLU 17 - HD3 LYS 90 poor 18 61 30 - 4.1-7.3 HA PRO 86 - HD3 LYS 90 poor 15 30 70 70 3.8-6.6 3.5/4043=20...(17) HA PRO 86 - HD2 LYS 13 poor 14 25 85 68 3.8-8.7 ~10957=15, 2.3/3818=8...(22) HA LEU 70 - HD2 LYS 39 poor 12 47 25 - 4.2-7.6 HA GLU 16 - HD2 LYS 12 far 10 64 15 - 4.6-7.3 HA GLU 16 - HD3 LYS 12 far 6 64 10 - 5.1-9.0 HA LYS 20 - HD3 LYS 24 far 0 54 0 - 6.0-9.4 HA LYS 20 - HD2 LYS 24 far 0 56 0 - 6.1-8.8 HB3 SER 59 - HG12 ILE 15 far 0 62 0 - 6.2-7.9 HA GLU 16 - HG12 ILE 15 far 0 67 0 - 6.4-6.4 HA PRO 86 - HG12 ILE 15 far 0 35 0 - 6.5-7.0 HA ARG 46 - HD3 LYS 47 far 0 85 0 - 6.8-8.2 HA LYS 66 - HD2 LYS 68 far 0 36 0 - 6.8-8.7 HA LYS 66 - HD3 LYS 68 far 0 34 0 - 6.9-9.4 HA LYS 66 - HD2 LYS 73 far 0 57 0 - 7.0-9.6 HB3 SER 59 - HD2 LYS 13 far 0 45 0 - 7.1-11.8 HA GLU 95 - HB3 ARG 91 far 0 73 0 - 7.1-8.5 HB3 SER 59 - HD3 LYS 13 far 0 41 0 - 7.1-10.2 HA GLU 17 - HD3 LYS 13 far 0 46 0 - 7.2-11.0 HA ARG 46 - HD2 LYS 47 far 0 86 0 - 7.2-8.6 HA GLU 17 - HD2 LYS 13 far 0 51 0 - 7.3-10.7 HA LYS 66 - HD3 LYS 73 far 0 55 0 - 7.3-10.6 HA LYS 66 - HD2 LYS 39 far 0 56 0 - 7.5-11.2 HA PRO 86 - HB3 ARG 91 far 0 57 0 - 7.5-9.3 HA LEU 70 - HD2 LYS 68 far 0 30 0 - 7.7-9.6 HA GLU 16 - HD3 LYS 90 far 0 60 0 - 7.8-11.6 HA PRO 86 - HD2 LYS 20 far 0 61 0 - 8.0-10.9 HA GLU 17 - HD3 LYS 24 far 0 54 0 - 8.0-12.2 HA PRO 86 - HD3 LYS 20 far 0 61 0 - 8.2-11.4 HA GLU 16 - HD2 LYS 13 far 0 49 0 - 8.3-10.5 HA GLU 16 - HD3 LYS 13 far 0 45 0 - 8.3-10.2 HA GLU 17 - HD3 LYS 12 far 0 65 0 - 8.4-12.9 HA GLU 17 - HD2 LYS 12 far 0 65 0 - 8.4-11.3 HA GLU 17 - HG12 ILE 15 far 0 69 0 - 8.8-9.0 HA LYS 20 - HD3 LYS 90 far 0 61 0 - 8.9-11.3 HB2 SER 49 - HD3 LYS 47 far 0 97 0 - 9.1-11.9 HA LEU 70 - HD3 LYS 68 far 0 29 0 - 9.2-10.4 HA GLU 17 - HD2 LYS 24 far 0 56 0 - 9.2-12.8 HB2 SER 49 - HD2 LYS 47 far 0 98 0 - 9.6-12.5 HA PRO 86 - HD2 LYS 12 far 0 33 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 917 from cnoeabs.peaks (1.89, 1.67, 29.19 ppm; 3.11 A): 19 out of 89 assignments used, quality = 1.00: * HB2 LYS 20 + HD3 LYS 20 OK 98 100 100 98 2.5-3.7 3.5=68, 1.8/2152=12...(70) HB2 LYS 20 + HD2 LYS 20 OK 98 100 100 98 2.4-3.6 3.5=68, 1.8/2152=12...(70) HB3 LYS 47 + HD2 LYS 47 OK 63 64 100 99 2.5-3.9 3.9=49, 4.0/6774=14...(120) HB3 LYS 47 + HD3 LYS 47 OK 63 63 100 99 2.1-3.8 3.9=49, 4.0/6774=14...(120) HB3 LYS 39 + HD2 LYS 39 OK 54 54 100 99 2.4-4.1 3.6=65, 1.8/1686=28...(42) HB3 LYS 12 + HD2 LYS 12 OK 51 51 100 99 3.4-3.9 3.6=65, ~463=14, ~464=14...(75) HB3 LYS 12 + HD3 LYS 12 OK 51 51 100 99 3.2-4.2 3.6=65, ~463=14, ~464=14...(74) HB2 LYS 12 + HD2 LYS 12 OK 49 49 100 99 2.0-2.9 3.6=65, ~463=14, ~464=14...(76) HB2 LYS 12 + HD3 LYS 12 OK 49 49 100 99 2.1-3.6 3.6=65, ~463=14, ~464=14...(74) HB3 LYS 68 + HD2 LYS 68 OK 42 43 100 99 2.9-4.1 3.5=70, 1.8/3004=15...(78) HB3 LYS 68 + HD3 LYS 68 OK 41 41 100 99 2.2-4.2 3.5=70, 1.8/3004=15...(79) HB3 LEU 14 + HG12 ILE 15 OK 39 64 95 63 4.1-4.7 6212/4.6=17...(17) HB3 LYS 13 + HD2 LYS 13 OK 37 37 100 99 2.1-4.2 3.6=65, 3.0/487=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 35 36 100 99 2.2-3.9 3.6=65, 3.0/487=17...(87) HB3 LYS 13 + HD3 LYS 13 OK 34 34 100 99 2.4-4.2 3.6=65, 3.0/487=15...(86) HB2 LYS 13 + HD3 LYS 13 OK 32 32 100 99 2.1-4.1 3.6=65, 3.0/487=15...(86) HB3 LEU 14 + HD2 LYS 13 OK 26 47 85 65 2.9-6.1 3.1/10406=9, 3.0/3871=7...(22) HB3 LEU 14 + HD3 LYS 13 OK 24 43 85 65 3.1-5.8 3.1/10406=9, ~245=7...(22) HB2 ARG 19 + HD2 LYS 20 OK 23 100 55 42 3.3-7.1 797/5.9=14, 788/5.3=7...(15) HB2 GLU 43 - HD3 LYS 47 far 14 91 15 - 3.5-7.5 HB2 ARG 19 - HD3 LYS 20 far 5 100 5 - 4.6-7.0 HB3 GLU 104 - HB3 ARG 91 far 4 88 5 - 4.0-18.0 HB3 LYS 12 - HD2 LYS 13 far 4 39 10 - 4.4-7.4 HB2 LYS 94 - HB3 ARG 91 far 3 66 5 - 4.5-7.7 HB2 GLU 43 - HD2 LYS 47 lone 3 91 25 11 4.0-7.7 6706/8972=3, 12311/6.3=3...(5) HB2 LYS 94 - HD2 LYS 24 far 0 33 0 - 5.2-11.0 HB3 LYS 12 - HD3 LYS 13 far 0 36 0 - 5.2-7.6 HB3 LYS 39 - HD2 LYS 73 far 0 55 0 - 5.4-8.3 HB3 LYS 13 - HD3 LYS 12 far 0 49 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 32 0 - 5.6-12.0 HB3 LYS 39 - HD3 LYS 73 far 0 54 0 - 5.9-8.3 HB2 LYS 12 - HD2 LYS 13 far 0 37 0 - 6.0-8.4 HB3 LYS 13 - HD2 LYS 12 far 0 49 0 - 6.0-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 54 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 47 0 - 6.2-9.9 HB2 LYS 12 - HG12 ILE 15 far 0 52 0 - 6.4-7.1 HG LEU 42 - HD2 LYS 39 far 0 73 0 - 6.5-8.7 HB2 ARG 19 - HG12 ILE 15 far 0 69 0 - 6.5-8.8 HB2 LYS 13 - HD2 LYS 12 far 0 47 0 - 6.6-9.1 HB3 GLU 104 - HD3 LYS 68 far 0 40 0 - 6.6-18.3 HB2 LYS 12 - HD3 LYS 13 far 0 34 0 - 6.7-8.4 HB2 ARG 19 - HD2 LYS 12 far 0 65 0 - 6.7-10.2 HB2 LYS 13 - HD3 LYS 90 far 0 43 0 - 6.8-10.6 HB3 GLU 104 - HD2 LYS 68 far 0 42 0 - 6.9-19.8 HB2 GLU 43 - HD2 LYS 39 far 0 66 0 - 6.9-10.2 HB3 LYS 12 - HG12 ILE 15 far 0 54 0 - 7.0-7.6 HB3 LEU 14 - HD3 LYS 90 far 0 57 0 - 7.1-10.1 HB ILE 8 - HG12 ILE 15 far 0 68 0 - 7.2-7.8 HB3 LEU 14 - HD2 LYS 12 far 0 60 0 - 7.2-8.7 HB2 LYS 94 - HD3 LYS 90 far 0 36 0 - 7.4-10.3 HB2 ARG 19 - HD3 LYS 12 far 0 65 0 - 7.4-11.7 HB2 LYS 13 - HD3 LYS 20 far 0 82 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 82 0 - 7.7-9.5 HB3 LYS 66 - HD3 LYS 68 far 0 33 0 - 7.9-10.0 HB2 ARG 19 - HD3 LYS 90 far 0 61 0 - 7.9-11.7 HB2 LYS 13 - HG12 ILE 15 far 0 50 0 - 8.0-8.4 HB3 LEU 14 - HD3 LYS 12 far 0 60 0 - 8.1-9.7 HB3 LYS 13 - HG12 ILE 15 far 0 52 0 - 8.2-8.8 HB2 LYS 20 - HD3 LYS 90 far 0 61 0 - 8.3-10.9 HB3 LYS 66 - HD2 LYS 68 far 0 34 0 - 8.4-9.8 HB3 LYS 13 - HD3 LYS 90 far 0 46 0 - 8.4-12.3 HB3 LYS 66 - HD2 LYS 39 far 0 53 0 - 8.5-11.2 HB3 LYS 13 - HD3 LYS 20 far 0 85 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 85 0 - 8.5-10.3 HB2 LYS 12 - HD2 LYS 20 far 0 85 0 - 8.6-12.2 HG LEU 42 - HD2 LYS 73 far 0 74 0 - 8.6-12.1 HB2 LYS 12 - HD3 LYS 20 far 0 85 0 - 8.7-13.0 HG LEU 42 - HD3 LYS 73 far 0 73 0 - 8.9-12.2 HB VAL 54 - HD3 LYS 68 far 0 48 0 - 9.0-12.3 HB3 LYS 66 - HD2 LYS 73 far 0 54 0 - 9.0-12.2 HB3 LYS 39 - HD3 LYS 47 far 0 78 0 - 9.1-14.0 HB3 LYS 39 - HD2 LYS 47 far 0 78 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 98 0 - 9.2-11.8 HB3 LYS 68 - HD3 LYS 73 far 0 65 0 - 9.3-12.4 HB3 LEU 14 - HD2 LYS 20 far 0 97 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 88 0 - 9.3-12.8 HB2 LYS 33 - HD2 LYS 12 far 0 45 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.5-15.0 HB3 LYS 12 - HD3 LYS 20 far 0 88 0 - 9.5-13.8 HB3 LYS 68 - HD2 LYS 73 far 0 66 0 - 9.5-11.6 HB2 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 45 0 - 9.6-14.5 HB VAL 54 - HD2 LYS 68 far 0 49 0 - 9.8-13.1 HB2 LYS 33 - HG12 ILE 15 far 0 48 0 - 9.8-11.0 HB VAL 5 - HG12 ILE 15 far 0 48 0 - 9.8-10.6 HB3 LYS 66 - HD3 LYS 73 far 0 53 0 - 9.8-12.9 HB2 ARG 19 - HD2 LYS 13 far 0 50 0 - 9.9-14.3 HB3 GLU 104 - HD3 LYS 90 far 0 52 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 918 from cnoeabs.peaks (1.93, 1.67, 29.19 ppm; 3.09 A): 20 out of 95 assignments used, quality = 1.00: * HB3 LYS 20 + HD3 LYS 20 OK 98 100 100 98 2.7-4.1 3.5=67, 871/5.9=14...(74) HB3 LYS 20 + HD2 LYS 20 OK 98 100 100 98 3.3-4.1 3.5=67, 871/5.9=14...(74) HB3 LYS 47 + HD2 LYS 47 OK 96 96 100 99 2.5-3.9 3.9=48, 2146/6774=15...(120) HB3 LYS 47 + HD3 LYS 47 OK 95 96 100 99 2.1-3.8 3.9=48, 2146/6774=15...(120) HB2 LYS 47 + HD2 LYS 47 OK 65 66 100 99 2.6-3.9 3.9=48, 1.8/2153=14...(110) HB2 LYS 47 + HD3 LYS 47 OK 64 65 100 99 2.2-3.7 3.9=48, 1.8/2153=14...(110) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 99 2.4-3.4 3.6=64, 3.0/3234=13...(130) HB2 LYS 73 + HD2 LYS 73 OK 60 61 100 100 2.9-3.3 3.6=64, 3.0/3234=13...(131) HB3 LYS 73 + HD3 LYS 73 OK 60 60 100 100 2.1-3.6 3.6=64, 3.0/3234=13...(130) HB2 LYS 73 + HD3 LYS 73 OK 59 59 100 100 2.8-3.8 3.6=64, 3.0/3234=13...(131) HB2 LYS 13 + HD2 LYS 13 OK 43 43 100 99 2.2-3.9 3.6=64, 3.0/487=16...(88) HB3 LYS 13 + HD2 LYS 13 OK 41 42 100 99 2.1-4.2 3.6=64, 3.0/487=16...(88) HB2 LYS 13 + HD3 LYS 13 OK 39 39 100 99 2.1-4.1 3.6=64, 3.0/487=15...(88) HB3 LYS 24 + HD2 LYS 24 OK 38 39 100 99 2.2-4.2 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD2 LYS 24 OK 38 39 100 99 2.0-3.7 3.6=65, ~1096=14...(109) HB3 LYS 13 + HD3 LYS 13 OK 38 38 100 99 2.4-4.2 3.6=64, 3.0/487=15...(88) HB3 LYS 24 + HD3 LYS 24 OK 37 37 100 99 2.2-3.6 3.6=65, ~1096=14...(109) HB2 LYS 24 + HD3 LYS 24 OK 37 37 100 99 2.1-4.2 3.6=65, ~1096=14...(109) HB2 GLU 17 + HD3 LYS 90 OK 32 60 65 82 1.9-6.0 12027/2.9=24...(27) HB3 LEU 14 + HG12 ILE 15 OK 20 43 95 50 4.1-4.7 6212/4.6=13...(15) HB2 GLU 17 - HD2 LYS 20 poor 20 99 20 - 3.4-6.6 HB2 GLU 43 - HD2 LYS 47 poor 19 77 25 - 4.0-7.7 HB3 LEU 14 - HD2 LYS 13 poor 16 31 85 63 2.9-6.1 3.1/10406=9, 519/3.0=8...(23) HB3 LEU 14 - HD3 LYS 13 poor 15 28 85 62 3.1-5.8 3.1/10406=9, 519/3.0=8...(23) HB2 GLU 43 - HD3 LYS 47 far 11 76 15 - 3.5-7.5 HB3 ARG 19 - HD2 LYS 20 poor 10 100 25 42 3.8-7.2 4.1/6311=11, 798/5.3=9...(14) HB2 GLU 17 - HD3 LYS 20 far 5 100 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 5 94 5 - 4.5-7.7 HB3 LYS 20 - HD3 LYS 24 far 3 54 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 13 far 2 45 5 - 4.6-10.5 HB2 GLU 17 - HD2 LYS 13 far 0 49 0 - 4.9-10.0 HB3 LYS 20 - HD2 LYS 24 far 0 56 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 100 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 53 0 - 5.2-11.0 HB2 LYS 73 - HD2 LYS 39 far 0 60 0 - 5.4-8.3 HB3 LYS 13 - HD3 LYS 12 far 0 54 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 51 0 - 5.6-12.0 HB3 ARG 46 - HD3 LYS 47 far 0 81 0 - 5.7-7.9 HB3 LYS 13 - HD2 LYS 12 far 0 54 0 - 6.0-8.2 HB3 ARG 46 - HD2 LYS 47 far 0 81 0 - 6.1-8.2 HB2 LYS 13 - HD3 LYS 12 far 0 56 0 - 6.2-9.9 HB3 LYS 73 - HD2 LYS 39 far 0 61 0 - 6.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 96 0 - 6.4-8.2 HG LEU 42 - HD2 LYS 39 far 0 39 0 - 6.5-8.7 HB2 LYS 13 - HD2 LYS 12 far 0 56 0 - 6.6-9.1 HB2 LYS 24 - HD3 LYS 20 far 0 81 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 81 0 - 6.7-9.0 HB3 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.7-10.6 HB3 ARG 19 - HD2 LYS 12 far 0 64 0 - 6.7-10.6 HB2 LYS 13 - HD3 LYS 90 far 0 53 0 - 6.8-10.6 HB3 MET 74 - HD3 LYS 73 far 0 53 0 - 6.9-9.2 HB2 GLU 43 - HD2 LYS 39 far 0 53 0 - 6.9-10.2 HB3 ARG 19 - HG12 ILE 15 far 0 68 0 - 7.0-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 80 0 - 7.1-9.1 HB3 LEU 14 - HD3 LYS 90 far 0 38 0 - 7.1-10.1 HB ILE 8 - HG12 ILE 15 far 0 34 0 - 7.2-7.8 HG3 GLU 88 - HD3 LYS 90 far 0 59 0 - 7.2-9.8 HB3 MET 74 - HD2 LYS 73 far 0 54 0 - 7.2-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 40 0 - 7.2-8.7 HB2 GLU 17 - HG12 ILE 15 far 0 67 0 - 7.2-9.3 HB3 LYS 24 - HD2 LYS 20 far 0 80 0 - 7.3-9.5 HB2 LYS 94 - HD3 LYS 90 far 0 57 0 - 7.4-10.3 HB3 ARG 19 - HD3 LYS 12 far 0 64 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 94 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 94 0 - 7.7-9.5 HB3 MET 74 - HD2 LYS 39 far 0 53 0 - 7.8-10.5 HB3 MET 74 - HD2 LYS 47 far 0 77 0 - 7.9-12.1 HB VAL 32 - HG12 ILE 15 far 0 68 0 - 7.9-9.5 HB2 LYS 13 - HG12 ILE 15 far 0 60 0 - 8.0-8.4 HB3 LEU 14 - HD3 LYS 12 far 0 40 0 - 8.1-9.7 HB3 LYS 13 - HG12 ILE 15 far 0 58 0 - 8.2-8.8 HB3 MET 74 - HD3 LYS 47 far 0 76 0 - 8.3-11.4 HB3 LYS 13 - HD3 LYS 90 far 0 51 0 - 8.4-12.3 HB3 LYS 13 - HD3 LYS 20 far 0 92 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 91 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 49 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 64 0 - 8.5-12.3 HG LEU 42 - HD2 LYS 73 far 0 39 0 - 8.6-12.1 HG3 GLU 88 - HD3 LYS 13 far 0 44 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 96 0 - 8.7-11.0 HB3 LYS 24 - HD3 LYS 90 far 0 42 0 - 8.7-11.5 HB2 GLU 17 - HD3 LYS 12 far 0 64 0 - 8.8-13.7 HB2 LYS 73 - HD2 LYS 68 far 0 39 0 - 8.9-11.8 HG LEU 42 - HD3 LYS 73 far 0 38 0 - 8.9-12.2 HB3 ARG 19 - HD3 LYS 90 far 0 60 0 - 9.2-12.6 HB3 LEU 14 - HD3 LYS 20 far 0 73 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 57 0 - 9.4-13.0 HB3 ARG 19 - HD3 LYS 24 far 0 54 0 - 9.5-13.9 HB3 ARG 46 - HD2 LYS 39 far 0 57 0 - 9.5-13.1 HB VAL 32 - HD2 LYS 39 far 0 74 0 - 9.6-11.5 HB2 LYS 33 - HD3 LYS 12 far 0 57 0 - 9.6-14.5 HB2 LYS 24 - HD3 LYS 90 far 0 42 0 - 9.7-12.7 HB2 LYS 33 - HG12 ILE 15 far 0 61 0 - 9.8-11.0 HB3 ARG 19 - HD2 LYS 24 far 0 56 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 919 from cnoeabs.peaks (1.46, 1.67, 29.19 ppm; 2.44 A): 14 out of 96 assignments used, quality = 1.00: HG2 LYS 20 + HD2 LYS 20 OK 89 100 100 89 2.4-2.6 2.8=63, 887/1.8=8...(49) * HG2 LYS 20 + HD3 LYS 20 OK 89 100 100 89 2.3-3.0 2.8=63, 889/1.8=8...(50) HG3 ARG 91 + HB3 ARG 91 OK 78 97 100 81 2.4-3.0 2.8=63, 7445/3.9=12...(10) HB2 ARG 91 + HB3 ARG 91 OK 73 73 100 100 1.8-1.8 1.8=100 HG3 LYS 39 + HD2 LYS 39 OK 64 67 100 96 2.2-3.0 3.0=56, 1720/1.8=24...(50) HG2 LYS 47 + HD2 LYS 47 OK 59 66 100 91 2.3-3.0 3.0=56, 1.8/2175=12...(55) HG2 LYS 47 + HD3 LYS 47 OK 59 65 100 91 2.3-3.0 3.0=56, 1.8/2175=12...(55) HG2 LYS 12 + HD2 LYS 12 OK 58 61 100 94 2.3-3.0 3.0=55, 463/3.0=22...(58) HG2 LYS 12 + HD3 LYS 12 OK 58 61 100 94 2.3-3.0 3.0=55, 463/3.0=22...(56) HG2 LYS 73 + HD2 LYS 73 OK 39 44 100 90 2.3-3.0 3.0=57, 1.8/3278=9...(49) HG2 LYS 73 + HD3 LYS 73 OK 38 43 100 90 2.5-3.0 3.0=57, 1.8/3278=10...(49) HG2 LYS 13 + HD2 LYS 13 OK 32 36 100 91 2.3-2.7 3.0=57, 524/1.8=7...(56) HG2 LYS 13 + HD3 LYS 13 OK 29 32 100 91 2.3-2.7 3.0=57, 524/1.8=7...(56) HG3 ARG 91 + HD3 LYS 90 OK 20 60 75 45 2.1-4.9 1.8/4039=9, 4056=8...(13) HG12 ILE 7 - HG12 ILE 15 poor 17 42 40 - 2.7-4.5 HG LEU 64 - HD3 LYS 68 poor 13 37 65 55 3.0-5.5 2.1/10242=10, ~12320=9...(16) HD3 LYS 40 - HD2 LYS 39 far 4 73 5 - 3.8-9.2 HB2 ARG 91 - HD3 LYS 90 far 0 41 0 - 4.0-7.5 HB2 LEU 38 - HD2 LYS 39 far 0 75 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 73 0 - 4.4-10.3 HG LEU 64 - HD2 LYS 68 far 0 39 0 - 4.7-6.5 HG2 LYS 12 - HD3 LYS 13 far 0 43 0 - 5.3-8.4 HG3 LYS 39 - HD2 LYS 73 far 0 68 0 - 5.4-9.2 HG LEU 38 - HD2 LYS 39 far 0 75 0 - 5.6-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 5.7-10.7 HB3 LEU 64 - HD3 LYS 68 far 0 28 0 - 6.0-7.5 HG2 LYS 12 - HD2 LYS 13 far 0 47 0 - 6.0-8.5 HG2 LYS 13 - HG12 ILE 15 far 0 50 0 - 6.1-6.7 HG2 LYS 13 - HD2 LYS 12 far 0 47 0 - 6.1-7.5 HG2 LYS 12 - HG12 ILE 15 far 0 65 0 - 6.2-8.3 HG2 LYS 73 - HD2 LYS 39 far 0 43 0 - 6.3-10.8 HG2 LYS 13 - HD3 LYS 12 far 0 47 0 - 6.4-8.2 HG3 LYS 39 - HD3 LYS 73 far 0 67 0 - 6.4-9.3 HG LEU 29 - HG12 ILE 15 far 0 56 0 - 6.4-8.1 HG2 LYS 20 - HD3 LYS 24 far 0 54 0 - 6.6-11.6 QB ALA 22 - HD2 LYS 24 far 0 45 0 - 6.7-8.9 QB ALA 22 - HD3 LYS 24 far 0 43 0 - 6.7-8.6 HG3 LYS 66 - HD2 LYS 39 far 0 42 0 - 6.9-11.5 QB ALA 22 - HD2 LYS 20 far 0 89 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 89 0 - 7.2-11.2 HD2 LYS 82 - HD3 LYS 68 far 0 48 0 - 7.2-11.4 HG3 LYS 66 - HD2 LYS 73 far 0 42 0 - 7.3-12.3 HB2 LEU 27 - HD3 LYS 24 far 0 54 0 - 7.5-10.8 HB3 LEU 64 - HD2 LYS 68 far 0 29 0 - 7.6-8.8 HG2 LYS 20 - HD2 LYS 24 far 0 56 0 - 7.6-10.9 HG LEU 29 - HD3 LYS 20 far 0 90 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 90 0 - 7.8-8.7 HG12 ILE 7 - HD2 LYS 13 far 0 30 0 - 7.9-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 56 0 - 8.0-11.5 QB ALA 22 - HD3 LYS 90 far 0 49 0 - 8.1-9.7 HG2 LYS 66 - HD3 LYS 68 far 0 27 0 - 8.1-11.3 HG12 ILE 7 - HD3 LYS 13 far 0 27 0 - 8.1-11.4 HD2 LYS 40 - HD3 LYS 47 far 0 97 0 - 8.1-11.9 HG2 LYS 66 - HD2 LYS 39 far 0 45 0 - 8.1-12.5 HG2 LYS 73 - HD2 LYS 68 far 0 27 0 - 8.2-10.3 HB2 LEU 38 - HD2 LYS 73 far 0 76 0 - 8.2-11.6 HG13 ILE 76 - HD3 LYS 47 far 0 86 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 8.4-11.3 HG2 LYS 66 - HD2 LYS 68 far 0 28 0 - 8.4-11.9 HG2 LYS 13 - HD3 LYS 90 far 0 43 0 - 8.5-11.8 HG12 ILE 7 - HD3 LYS 90 far 0 36 0 - 8.6-11.6 QB ALA 22 - HG12 ILE 15 far 0 56 0 - 8.6-9.9 HD2 LYS 40 - HD2 LYS 47 far 0 97 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 100 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 96 0 - 8.8-13.2 HG LEU 38 - HD2 LYS 68 far 0 50 0 - 8.9-13.1 HG2 LYS 66 - HD2 LYS 73 far 0 45 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 76 0 - 8.9-11.3 HG3 LYS 66 - HD3 LYS 73 far 0 41 0 - 8.9-13.7 HD2 LYS 82 - HD2 LYS 68 far 0 50 0 - 9.0-12.0 HB2 LEU 38 - HD3 LYS 73 far 0 74 0 - 9.0-11.6 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 9.0-12.7 HG LEU 29 - HD3 LYS 90 far 0 49 0 - 9.1-12.9 HG LEU 38 - HD3 LYS 73 far 0 74 0 - 9.1-12.5 HG2 LYS 20 - HD2 LYS 12 far 0 65 0 - 9.3-12.2 HG LEU 38 - HD3 LYS 68 far 0 48 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 82 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 82 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 39 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 98 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 65 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 84 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 97 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 46 0 - 9.5-13.3 HG3 LYS 66 - HD3 LYS 68 far 0 25 0 - 9.5-12.2 HG3 ARG 91 - HD2 LYS 13 far 0 50 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 69 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 51 0 - 9.5-12.9 HG2 LYS 12 - HD3 LYS 20 far 0 98 0 - 9.6-13.2 HG3 ARG 91 - HD3 LYS 13 far 0 46 0 - 9.6-14.4 HG3 LYS 39 - HD2 LYS 47 far 0 92 0 - 9.6-16.2 HG3 LYS 66 - HD2 LYS 68 far 0 26 0 - 9.6-11.5 HG LEU 29 - HD2 LYS 12 far 0 52 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 100 0 - 9.8-13.5 HG2 LYS 73 - HD3 LYS 68 far 0 26 0 - 9.9-11.4 HG2 LYS 66 - HD3 LYS 73 far 0 44 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 920 from cnoeabs.peaks (1.67, 1.67, 29.19 ppm; diagonal): 18 out of 18 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 47 + HD2 LYS 47 OK 98 98 - 100 HD3 LYS 47 + HD3 LYS 47 OK 97 97 - 100 HB3 ARG 91 + HB3 ARG 91 OK 96 96 - 100 HD2 LYS 73 + HD2 LYS 73 OK 74 74 - 100 HD3 LYS 73 + HD3 LYS 73 OK 72 72 - 100 HD2 LYS 39 + HD2 LYS 39 OK 63 63 - 100 HG12 ILE 15 + HG12 ILE 15 OK 59 59 - 100 HD3 LYS 90 + HD3 LYS 90 OK 49 49 - 100 HD3 LYS 12 + HD3 LYS 12 OK 48 48 - 100 HD2 LYS 12 + HD2 LYS 12 OK 48 48 - 100 HD2 LYS 24 + HD2 LYS 24 OK 46 46 - 100 HD3 LYS 24 + HD3 LYS 24 OK 43 43 - 100 HD2 LYS 68 + HD2 LYS 68 OK 39 39 - 100 HD3 LYS 68 + HD3 LYS 68 OK 37 37 - 100 HD2 LYS 13 + HD2 LYS 13 OK 36 36 - 100 HD3 LYS 13 + HD3 LYS 13 OK 31 31 - 100 Reference assignment not found: HG3 LYS 20 - HD3 LYS 20 Peak 921 from cnoeabs.peaks (1.68, 1.67, 29.19 ppm; diagonal): 18 out of 18 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 47 + HD2 LYS 47 OK 98 98 - 100 HD3 LYS 47 + HD3 LYS 47 OK 97 97 - 100 HB3 ARG 91 + HB3 ARG 91 OK 97 97 - 100 HD2 LYS 73 + HD2 LYS 73 OK 73 73 - 100 HD3 LYS 73 + HD3 LYS 73 OK 70 70 - 100 HG12 ILE 15 + HG12 ILE 15 OK 62 62 - 100 HD2 LYS 39 + HD2 LYS 39 OK 60 60 - 100 HD3 LYS 90 + HD3 LYS 90 OK 52 52 - 100 HD3 LYS 12 + HD3 LYS 12 OK 51 51 - 100 HD2 LYS 12 + HD2 LYS 12 OK 51 51 - 100 HD2 LYS 24 + HD2 LYS 24 OK 48 48 - 100 HD3 LYS 24 + HD3 LYS 24 OK 46 46 - 100 HD2 LYS 13 + HD2 LYS 13 OK 39 39 - 100 HD2 LYS 68 + HD2 LYS 68 OK 37 37 - 100 HD3 LYS 68 + HD3 LYS 68 OK 34 34 - 100 HD3 LYS 13 + HD3 LYS 13 OK 34 34 - 100 Reference assignment not found: HD2 LYS 20 - HD3 LYS 20 Peak 922 from cnoeabs.peaks (1.67, 1.67, 29.19 ppm; diagonal): 18 out of 18 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 47 + HD2 LYS 47 OK 98 98 - 100 HD3 LYS 47 + HD3 LYS 47 OK 97 97 - 100 HB3 ARG 91 + HB3 ARG 91 OK 96 96 - 100 HD2 LYS 73 + HD2 LYS 73 OK 74 74 - 100 HD3 LYS 73 + HD3 LYS 73 OK 72 72 - 100 HD2 LYS 39 + HD2 LYS 39 OK 63 63 - 100 HG12 ILE 15 + HG12 ILE 15 OK 59 59 - 100 HD3 LYS 90 + HD3 LYS 90 OK 49 49 - 100 HD3 LYS 12 + HD3 LYS 12 OK 48 48 - 100 HD2 LYS 12 + HD2 LYS 12 OK 48 48 - 100 HD2 LYS 24 + HD2 LYS 24 OK 46 46 - 100 HD3 LYS 24 + HD3 LYS 24 OK 43 43 - 100 HD2 LYS 68 + HD2 LYS 68 OK 39 39 - 100 HD3 LYS 68 + HD3 LYS 68 OK 37 37 - 100 HD2 LYS 13 + HD2 LYS 13 OK 36 36 - 100 HD3 LYS 13 + HD3 LYS 13 OK 31 31 - 100 Peak 923 from cnoeabs.peaks (2.91, 1.67, 29.19 ppm; 3.09 A): 14 out of 73 assignments used, quality = 1.00: * HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 68 + HD2 LYS 68 OK 50 50 100 100 2.3-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 49 49 100 100 2.6-3.0 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 48 48 100 100 2.2-3.0 3.0=100 HE3 LYS 68 + HD3 LYS 68 OK 48 48 100 100 2.2-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 47 47 100 100 2.6-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 45 45 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 44 44 100 100 2.7-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 43 43 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 38 38 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 37 37 100 100 2.2-2.6 3.0=100 HG2 MET 21 - HD3 LYS 90 poor 17 42 40 - 3.7-7.8 HE2 LYS 94 - HB3 ARG 91 poor 16 96 55 31 2.8-9.1 3.9/1820=4, 3.9/1820=4...(13) HE3 LYS 94 - HB3 ARG 91 poor 15 97 50 31 2.9-8.3 3.9/1820=4, 3.9/1820=4...(12) HE2 LYS 94 - HD2 LYS 24 far 5 55 10 - 4.0-12.2 HE3 LYS 39 - HD2 LYS 73 far 4 44 10 - 4.0-9.0 HE3 LYS 90 - HD2 LYS 20 far 4 86 5 - 4.4-9.9 HE2 LYS 94 - HD3 LYS 90 far 3 59 5 - 4.1-10.1 HE2 LYS 94 - HD3 LYS 24 far 3 53 5 - 3.7-12.9 HE3 LYS 73 - HD2 LYS 39 far 2 45 5 - 4.0-10.8 HE3 LYS 39 - HD3 LYS 73 far 2 43 5 - 4.0-9.3 HE2 LYS 73 - HD2 LYS 39 far 2 37 5 - 3.4-11.3 HE2 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.6-10.4 HE3 LYS 94 - HD3 LYS 90 far 0 61 0 - 4.9-10.3 HE3 LYS 94 - HD3 LYS 24 far 0 54 0 - 5.0-13.8 HE3 LYS 90 - HD3 LYS 13 far 0 35 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 38 0 - 5.2-12.7 HE3 LYS 20 - HD3 LYS 24 far 0 54 0 - 5.4-11.7 HE3 LYS 94 - HD2 LYS 24 far 0 56 0 - 5.5-13.1 HE3 LYS 90 - HD3 LYS 20 far 0 87 0 - 5.5-10.8 HE3 LYS 66 - HD2 LYS 73 far 0 72 0 - 5.6-10.7 HE2 LYS 66 - HD2 LYS 73 far 0 67 0 - 5.6-11.5 HE3 LYS 90 - HB3 ARG 91 far 0 81 0 - 5.7-9.5 HE2 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.0-11.5 HG2 MET 21 - HB3 ARG 91 far 0 75 0 - 6.2-8.9 HE2 LYS 66 - HD2 LYS 39 far 0 66 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 80 0 - 6.4-9.7 HE2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.4-11.9 HE3 LYS 66 - HD2 LYS 39 far 0 71 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 81 0 - 6.6-9.1 HE3 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.7-12.9 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 37 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 41 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 39 0 - 6.8-10.6 HE3 LYS 20 - HD3 LYS 90 far 0 61 0 - 7.2-11.1 HE2 LYS 66 - HD3 LYS 73 far 0 66 0 - 7.2-13.1 HE3 LYS 66 - HD3 LYS 73 far 0 70 0 - 7.2-11.5 HE3 LYS 66 - HD2 LYS 68 far 0 47 0 - 7.3-12.3 HB2 ASN 10 - HG12 ILE 15 far 0 62 0 - 7.4-8.6 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 7.5-10.4 HE3 LYS 20 - HD3 LYS 12 far 0 65 0 - 7.5-15.2 HE3 LYS 66 - HD3 LYS 68 far 0 45 0 - 7.5-12.6 HE3 LYS 20 - HD2 LYS 12 far 0 65 0 - 7.8-14.2 HB2 ASN 10 - HD2 LYS 13 far 0 45 0 - 7.8-10.2 HE2 LYS 20 - HD3 LYS 12 far 0 65 0 - 8.0-16.0 HE2 LYS 20 - HD2 LYS 12 far 0 65 0 - 8.2-14.3 HE3 LYS 90 - HD3 LYS 24 far 0 41 0 - 8.4-14.7 HE2 LYS 66 - HD2 LYS 68 far 0 43 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 42 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 53 0 - 8.7-13.2 HE3 LYS 20 - HG12 ILE 15 far 0 69 0 - 9.1-12.9 HE2 LYS 94 - HD2 LYS 20 far 0 99 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 99 0 - 9.4-14.0 HE3 LYS 90 - HD2 LYS 24 far 0 43 0 - 9.6-15.2 HE3 LYS 20 - HD3 LYS 13 far 0 46 0 - 9.6-14.9 HE3 LYS 94 - HD3 LYS 20 far 0 100 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 28 0 - 9.7-12.7 HG2 MET 21 - HD2 LYS 13 far 0 35 0 - 9.9-16.3 HE2 LYS 20 - HG12 ILE 15 far 0 69 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 924 from cnoeabs.peaks (2.91, 1.67, 29.19 ppm; 3.09 A): 14 out of 73 assignments used, quality = 1.00: * HE3 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 68 + HD2 LYS 68 OK 50 50 100 100 2.3-3.0 3.0=100 HE3 LYS 68 + HD2 LYS 68 OK 49 49 100 100 2.6-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 48 48 100 100 2.6-3.0 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 48 48 100 100 2.2-3.0 3.0=100 HE3 LYS 68 + HD3 LYS 68 OK 47 47 100 100 2.2-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 47 47 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 45 45 100 100 2.7-3.0 3.0=100 HE3 LYS 39 + HD2 LYS 39 OK 42 42 100 100 2.2-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 39 39 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 38 38 100 100 2.2-2.6 3.0=100 HG2 MET 21 - HD3 LYS 90 poor 17 43 40 - 3.7-7.8 HE2 LYS 94 - HB3 ARG 91 poor 16 96 55 31 2.8-9.1 3.9/1820=4, 3.9/1820=4...(13) HE3 LYS 94 - HB3 ARG 91 poor 15 97 50 31 2.9-8.3 3.9/1820=4, 3.9/1820=4...(12) HE2 LYS 94 - HD2 LYS 24 far 5 55 10 - 4.0-12.2 HE3 LYS 90 - HD2 LYS 20 far 4 88 5 - 4.4-9.9 HE3 LYS 39 - HD2 LYS 73 far 4 42 10 - 4.0-9.0 HE2 LYS 94 - HD3 LYS 90 far 3 60 5 - 4.1-10.1 HE2 LYS 94 - HD3 LYS 24 far 3 53 5 - 3.7-12.9 HE3 LYS 73 - HD2 LYS 39 far 2 46 5 - 4.0-10.8 HE3 LYS 39 - HD3 LYS 73 far 2 41 5 - 4.0-9.3 HE2 LYS 73 - HD2 LYS 39 far 2 39 5 - 3.4-11.3 HE2 LYS 20 - HD3 LYS 24 far 0 54 0 - 4.6-10.4 HE3 LYS 94 - HD3 LYS 90 far 0 61 0 - 4.9-10.3 HE3 LYS 94 - HD3 LYS 24 far 0 54 0 - 5.0-13.8 HE3 LYS 90 - HD3 LYS 13 far 0 36 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 39 0 - 5.2-12.7 HE3 LYS 20 - HD3 LYS 24 far 0 54 0 - 5.4-11.7 HE3 LYS 94 - HD2 LYS 24 far 0 56 0 - 5.5-13.1 HE3 LYS 90 - HD3 LYS 20 far 0 88 0 - 5.5-10.8 HE3 LYS 66 - HD2 LYS 73 far 0 71 0 - 5.6-10.7 HE2 LYS 66 - HD2 LYS 73 far 0 66 0 - 5.6-11.5 HE3 LYS 90 - HB3 ARG 91 far 0 83 0 - 5.7-9.5 HE2 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.0-11.5 HG2 MET 21 - HB3 ARG 91 far 0 77 0 - 6.2-8.9 HE2 LYS 66 - HD2 LYS 39 far 0 65 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 82 0 - 6.4-9.7 HE2 LYS 20 - HD3 LYS 90 far 0 61 0 - 6.4-11.9 HE3 LYS 66 - HD2 LYS 39 far 0 70 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 82 0 - 6.6-9.1 HE3 LYS 20 - HD2 LYS 24 far 0 56 0 - 6.7-12.9 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 38 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 41 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 40 0 - 6.8-10.6 HE3 LYS 20 - HD3 LYS 90 far 0 61 0 - 7.2-11.1 HE2 LYS 66 - HD3 LYS 73 far 0 65 0 - 7.2-13.1 HE3 LYS 66 - HD3 LYS 73 far 0 70 0 - 7.2-11.5 HE3 LYS 66 - HD2 LYS 68 far 0 46 0 - 7.3-12.3 HB2 ASN 10 - HG12 ILE 15 far 0 62 0 - 7.4-8.6 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 7.5-10.4 HE3 LYS 20 - HD3 LYS 12 far 0 65 0 - 7.5-15.2 HE3 LYS 66 - HD3 LYS 68 far 0 45 0 - 7.5-12.6 HE3 LYS 20 - HD2 LYS 12 far 0 65 0 - 7.8-14.2 HB2 ASN 10 - HD2 LYS 13 far 0 45 0 - 7.8-10.2 HE2 LYS 20 - HD3 LYS 12 far 0 65 0 - 8.0-16.0 HE2 LYS 20 - HD2 LYS 12 far 0 65 0 - 8.2-14.3 HE3 LYS 90 - HD3 LYS 24 far 0 42 0 - 8.4-14.7 HE2 LYS 66 - HD2 LYS 68 far 0 43 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 41 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 54 0 - 8.7-13.2 HE3 LYS 20 - HG12 ILE 15 far 0 69 0 - 9.1-12.9 HE2 LYS 94 - HD2 LYS 20 far 0 99 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 100 0 - 9.4-14.0 HE3 LYS 90 - HD2 LYS 24 far 0 44 0 - 9.6-15.2 HE3 LYS 20 - HD3 LYS 13 far 0 46 0 - 9.6-14.9 HE3 LYS 94 - HD3 LYS 20 far 0 100 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 29 0 - 9.7-12.7 HG2 MET 21 - HD2 LYS 13 far 0 36 0 - 9.9-16.3 HE2 LYS 20 - HG12 ILE 15 far 0 69 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 925 from cnoeabs.peaks (7.68, 1.67, 29.19 ppm; 5.07 A): 4 out of 20 assignments used, quality = 1.00: * H MET 21 + HD3 LYS 20 OK 100 100 100 100 4.5-5.7 869/3.5=69, 6325/3.5=57...(14) H MET 21 + HD2 LYS 20 OK 100 100 100 100 3.7-5.6 869/3.5=69, 6325/3.5=57...(14) H ALA 25 + HD2 LYS 24 OK 40 41 100 99 3.2-5.9 6402/3.0=55, 6397/6.3=36...(16) H ALA 25 + HD3 LYS 24 OK 39 39 100 99 3.2-5.8 6402/3.0=55, 6397/6.3=36...(16) H MET 21 - HD3 LYS 90 far 9 61 15 - 5.8-8.1 H SER 85 - HD3 LYS 13 far 5 46 10 - 6.3-10.2 H MET 21 - HD3 LYS 24 far 3 54 5 - 5.8-9.1 H SER 85 - HD2 LYS 13 far 3 50 5 - 6.4-11.4 H MET 21 - HD2 LYS 24 far 0 56 0 - 6.9-9.2 H LEU 64 - HD3 LYS 68 far 0 28 0 - 6.9-9.2 H SER 85 - HD3 LYS 90 far 0 61 0 - 7.6-10.5 H LEU 64 - HD2 LYS 68 far 0 29 0 - 8.1-9.9 H GLU 98 - HD2 LYS 24 far 0 38 0 - 8.2-13.1 H SER 85 - HB3 ARG 91 far 0 97 0 - 8.4-10.3 H SER 85 - HG12 ILE 15 far 0 68 0 - 8.7-10.2 H GLU 98 - HD3 LYS 24 far 0 36 0 - 9.0-13.2 H ALA 25 - HD3 LYS 20 far 0 84 0 - 9.3-10.8 H ALA 25 - HD2 LYS 20 far 0 83 0 - 9.5-10.9 H MET 21 - HG12 ILE 15 far 0 69 0 - 9.9-10.4 H MET 21 - HB3 ARG 91 far 0 97 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 926 from cnoeabs.peaks (7.79, 2.91, 41.80 ppm; 4.63 A): 4 out of 14 assignments used, quality = 1.00: H LYS 20 + HE3 LYS 20 OK 100 100 100 100 1.8-4.9 893/3.6=69, 882/3.6=66...(31) * H LYS 20 + HE2 LYS 20 OK 100 100 100 100 1.9-5.2 893/3.6=69, 882/3.6=66...(28) H LYS 66 + HE3 LYS 66 OK 94 94 100 100 3.0-5.9 7074/2.9=77, 7070/4.7=62...(32) H LYS 66 + HE2 LYS 66 OK 86 86 100 100 3.8-6.1 7074/2.9=77, 7070/4.7=62...(31) H LYS 66 - HE2 LYS 68 far 5 99 5 - 5.6-9.3 H LYS 66 - HE3 LYS 68 far 5 98 5 - 5.5-8.8 H LYS 20 - HE3 LYS 90 far 0 73 0 - 6.9-9.8 H VAL 78 - HE2 LYS 68 far 0 61 0 - 7.6-11.2 H VAL 78 - HE3 LYS 68 far 0 61 0 - 7.6-11.1 H GLU 99 - HE2 LYS 94 far 0 99 0 - 9.2-11.4 H GLU 99 - HE3 LYS 94 far 0 100 0 - 9.2-11.9 HE ARG 30 - HE3 LYS 20 far 0 100 0 - 9.5-17.8 H LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-12.7 H LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 927 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 3.67 A): 9 out of 27 assignments used, quality = 1.00: * HA LYS 20 + HE2 LYS 20 OK 94 100 95 99 3.0-5.6 848/3.6=38, 851/3.6=20...(98) HA LYS 20 + HE3 LYS 20 OK 94 100 95 99 3.2-5.6 848/3.6=38, 851/3.6=20...(98) HA GLU 17 + HE3 LYS 20 OK 79 100 100 79 2.0-4.9 894/3.6=21, 883/3.6=17...(24) HA GLU 17 + HE2 LYS 20 OK 78 100 100 78 2.9-5.1 894/3.6=21, 883/3.6=17...(22) HA LYS 66 + HE3 LYS 66 OK 77 77 100 100 1.9-4.1 2942/2.9=40, 3.0/2906=24...(53) HA LYS 66 + HE2 LYS 66 OK 68 69 100 100 2.6-4.3 2942/2.9=40, 3.0/2906=24...(53) HA GLU 16 + HE3 LYS 20 OK 37 100 55 67 2.8-7.5 848/3.6=15, 850/3.0=11...(21) HA GLU 16 + HE2 LYS 20 OK 36 100 55 66 4.0-7.9 848/3.6=15, 850/3.0=11...(20) HA GLU 17 + HE3 LYS 90 OK 20 73 50 55 4.1-6.8 2.9/4255=9, ~10433=8...(16) HA PRO 86 - HE3 LYS 90 poor 9 38 55 46 4.0-7.8 ~12334=11, 2.3/12259=6...(11) HA LEU 70 - HE3 LYS 66 far 3 67 5 - 5.1-8.7 HA LEU 70 - HE2 LYS 66 far 0 59 0 - 5.3-10.4 HA GLU 95 - HE3 LYS 94 far 0 79 0 - 5.9-8.9 HA GLU 95 - HE2 LYS 94 far 0 75 0 - 6.1-8.5 HA LYS 66 - HE3 LYS 68 far 0 83 0 - 6.4-9.7 HA LYS 66 - HE2 LYS 68 far 0 84 0 - 6.6-10.3 HA GLU 16 - HE3 LYS 90 far 0 72 0 - 7.8-11.2 HA PRO 86 - HE3 LYS 20 far 0 61 0 - 8.0-12.0 HA LYS 20 - HE3 LYS 90 far 0 73 0 - 8.7-11.6 HA GLU 17 - HE3 LYS 94 far 0 100 0 - 8.9-12.7 HA LYS 20 - HE2 LYS 94 far 0 99 0 - 9.0-13.0 HA LEU 70 - HE3 LYS 68 far 0 73 0 - 9.2-11.5 HA PRO 86 - HE2 LYS 20 far 0 61 0 - 9.2-12.2 HA GLU 17 - HE2 LYS 94 far 0 99 0 - 9.2-12.2 HA LEU 70 - HE2 LYS 68 far 0 73 0 - 9.4-11.6 HA LYS 20 - HE3 LYS 94 far 0 100 0 - 9.6-13.3 HA PRO 86 - HE2 LYS 94 far 0 58 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 928 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 3.64 A): 10 out of 45 assignments used, quality = 1.00: HB2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 1.9-3.6 4.7=46, 4.0/6313=16...(89) * HB2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 1.9-3.5 4.7=46, 4.0/6313=16...(89) HB3 LYS 68 + HE2 LYS 68 OK 93 94 100 99 2.9-5.0 5.0=39, 2.9/4267=14...(67) HB3 LYS 68 + HE3 LYS 68 OK 92 93 100 99 2.8-4.4 5.0=39, 2.9/4267=14...(68) HB3 LYS 66 + HE3 LYS 66 OK 74 74 100 100 3.4-4.6 4.7=46, ~2943=35...(43) HB2 LYS 94 + HE3 LYS 94 OK 66 71 95 98 3.7-5.3 4.8=44, 1.8/4206=27...(35) HB3 LYS 66 + HE2 LYS 66 OK 65 65 100 100 3.3-5.1 4.7=46, ~2943=35...(43) HB2 LYS 94 + HE2 LYS 94 OK 57 68 85 98 3.7-5.4 4.8=44, 1.8/4206=27...(36) HB2 ARG 19 + HE2 LYS 20 OK 23 100 55 42 3.6-7.8 797/6313=16, 788/6.3=7...(11) HB2 ARG 19 + HE3 LYS 20 OK 21 100 50 43 2.6-8.0 797/6313=16, 788/6.3=7...(11) HB3 GLU 104 - HE3 LYS 68 far 0 92 0 - 5.3-18.3 HB2 LYS 13 - HE3 LYS 90 far 0 53 0 - 5.7-10.6 HB3 GLU 104 - HE2 LYS 68 far 0 93 0 - 5.9-17.0 HB3 LYS 68 - HE3 LYS 66 far 0 88 0 - 6.2-9.1 HB3 LEU 14 - HE3 LYS 90 far 0 68 0 - 6.2-11.2 HB3 LYS 39 - HE3 LYS 66 far 0 76 0 - 6.5-12.1 HB3 GLU 104 - HE3 LYS 94 far 0 93 0 - 7.0-21.0 HB3 LYS 68 - HE2 LYS 66 far 0 79 0 - 7.4-9.2 HB3 LYS 13 - HE3 LYS 90 far 0 56 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 45 0 - 7.4-11.8 HB3 LYS 66 - HE3 LYS 68 far 0 80 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 67 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 80 0 - 7.7-11.0 HB2 LYS 13 - HE3 LYS 20 far 0 82 0 - 7.7-11.2 HB2 LYS 20 - HE3 LYS 90 far 0 73 0 - 7.9-10.8 HB2 LYS 12 - HE3 LYS 20 far 0 85 0 - 8.1-12.2 HB2 ARG 19 - HE3 LYS 90 far 0 73 0 - 8.3-11.7 HB3 GLU 104 - HE2 LYS 94 far 0 90 0 - 8.7-20.8 HB ILE 8 - HE2 LYS 66 far 0 88 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 96 0 - 8.8-11.5 HB3 LYS 13 - HE3 LYS 20 far 0 85 0 - 8.9-11.9 HB3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.1-13.0 HB2 LYS 13 - HE2 LYS 20 far 0 82 0 - 9.2-10.9 HB3 LEU 14 - HE3 LYS 20 far 0 98 0 - 9.2-12.8 HB3 LYS 33 - HE3 LYS 66 far 0 77 0 - 9.2-13.7 HB3 LYS 33 - HE2 LYS 66 far 0 69 0 - 9.3-13.7 HG LEU 42 - HE3 LYS 66 far 0 95 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 87 0 - 9.4-14.1 HB2 LYS 12 - HE2 LYS 20 far 0 85 0 - 9.7-13.0 HB2 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-13.6 HB2 LYS 33 - HE2 LYS 66 far 0 65 0 - 9.7-14.5 HB VAL 54 - HE3 LYS 68 far 0 100 0 - 9.7-13.5 HB VAL 5 - HE3 LYS 20 far 0 81 0 - 9.7-12.9 HB2 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.8-13.4 HB2 LYS 33 - HE3 LYS 66 far 0 74 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 929 from cnoeabs.peaks (1.93, 2.91, 41.80 ppm; 3.78 A): 7 out of 47 assignments used, quality = 1.00: HB3 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.2-4.9 4.7=51, 871/6313=20...(82) * HB3 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.4-3.7 4.7=51, 871/6313=20...(82) HB2 LYS 94 + HE3 LYS 94 OK 97 98 100 99 3.7-5.3 4.8=49, 1.8/4206=29...(35) HB2 LYS 94 + HE2 LYS 94 OK 85 96 90 99 3.7-5.4 4.8=49, 1.8/4206=29...(36) HB2 GLU 17 + HE3 LYS 90 OK 57 72 95 84 2.1-6.1 12027/3.8=34, ~10433=13...(23) HB3 ARG 19 + HE3 LYS 20 OK 26 100 55 48 2.3-8.5 4.1/6313=17, 798/6.3=10...(10) HB3 ARG 19 + HE2 LYS 20 OK 26 100 55 47 2.7-8.5 4.1/6313=17, 798/6.3=10...(10) HB3 LYS 24 - HE2 LYS 94 far 8 77 10 - 4.3-10.2 HB2 GLU 17 - HE3 LYS 20 far 5 100 5 - 4.1-7.9 HB2 GLU 17 - HE2 LYS 20 far 5 100 5 - 4.9-7.8 HB2 LYS 24 - HE2 LYS 20 far 4 81 5 - 5.2-8.2 HB2 LYS 24 - HE3 LYS 20 far 0 81 0 - 5.5-9.3 HB2 LYS 24 - HE2 LYS 94 far 0 77 0 - 5.6-11.8 HB3 LYS 24 - HE3 LYS 20 far 0 81 0 - 5.7-9.2 HB2 LYS 13 - HE3 LYS 90 far 0 64 0 - 5.7-10.6 HB3 LYS 24 - HE3 LYS 94 far 0 81 0 - 5.9-11.0 HB3 LYS 24 - HE2 LYS 20 far 0 81 0 - 6.1-8.2 HB3 LEU 14 - HE3 LYS 90 far 0 46 0 - 6.2-11.2 HB3 LYS 20 - HE3 LYS 90 far 0 73 0 - 7.0-10.5 HB2 LYS 24 - HE3 LYS 94 far 0 81 0 - 7.1-12.6 HB3 LYS 13 - HE3 LYS 90 far 0 62 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 69 0 - 7.4-11.8 HB VAL 32 - HE3 LYS 66 far 0 96 0 - 7.7-11.8 HB2 LYS 13 - HE3 LYS 20 far 0 94 0 - 7.7-11.2 HB2 LYS 73 - HE3 LYS 66 far 0 82 0 - 7.8-11.3 HG3 GLU 88 - HE3 LYS 90 far 0 71 0 - 7.9-10.7 HB3 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.0-12.5 HB3 LYS 20 - HE2 LYS 94 far 0 99 0 - 8.1-12.6 HB2 GLU 17 - HE3 LYS 94 far 0 100 0 - 8.2-12.4 HB2 LYS 73 - HE2 LYS 66 far 0 73 0 - 8.2-12.7 HB VAL 32 - HE2 LYS 66 far 0 88 0 - 8.2-12.2 HB2 GLU 17 - HE2 LYS 94 far 0 98 0 - 8.2-11.7 HB ILE 8 - HE2 LYS 66 far 0 47 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 54 0 - 8.8-11.5 HB3 LYS 73 - HE3 LYS 66 far 0 83 0 - 8.8-12.6 HB3 LYS 13 - HE3 LYS 20 far 0 92 0 - 8.9-11.9 HB3 LYS 73 - HE2 LYS 66 far 0 74 0 - 9.0-14.0 HB3 LYS 24 - HE3 LYS 90 far 0 52 0 - 9.1-11.5 HB2 LYS 13 - HE2 LYS 20 far 0 94 0 - 9.2-10.9 HB3 ARG 19 - HE3 LYS 90 far 0 73 0 - 9.2-12.9 HB3 LEU 14 - HE3 LYS 20 far 0 73 0 - 9.2-12.8 HB3 LYS 33 - HE3 LYS 66 far 0 87 0 - 9.2-13.7 HB3 LYS 33 - HE2 LYS 66 far 0 78 0 - 9.3-13.7 HG LEU 42 - HE3 LYS 66 far 0 56 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 48 0 - 9.4-14.1 HB2 LYS 33 - HE2 LYS 66 far 0 80 0 - 9.7-14.5 HB2 LYS 33 - HE3 LYS 66 far 0 89 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 930 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.38 A): 8 out of 56 assignments used, quality = 1.00: HG2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.5-3.8 3.6=86, 882/6313=13...(94) * HG2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.5-4.1 3.6=86, 882/6313=13...(95) HG2 LYS 66 + HE3 LYS 66 OK 63 63 100 100 2.3-4.2 3.6=82, 2914/2.9=21...(51) HG3 LYS 66 + HE3 LYS 66 OK 59 60 100 100 2.0-3.9 3.6=82, 2914/2.9=21...(51) HG2 LYS 66 + HE2 LYS 66 OK 55 55 100 100 2.1-4.2 3.6=82, 2914/2.9=21...(51) HG3 LYS 66 + HE2 LYS 66 OK 52 52 100 100 2.0-4.2 3.6=82, 2914/2.9=21...(51) HG LEU 64 + HE3 LYS 68 OK 21 87 30 82 3.2-6.5 2.1/9484=19, ~10242=17...(18) HG3 ARG 91 + HE3 LYS 90 OK 20 73 50 56 3.1-6.8 ~4039=11, 4056/3.0=10...(16) HG LEU 64 - HE2 LYS 68 poor 18 88 25 82 3.4-6.7 2.1/9484=19, ~10242=17...(18) HG3 ARG 91 - HE3 LYS 94 far 15 100 15 - 4.6-9.3 HB2 ARG 91 - HE2 LYS 94 poor 10 75 40 33 2.8-10.0 ~4242=4, 3.0/12238=4...(11) HB2 ARG 91 - HE3 LYS 94 poor 8 79 30 34 4.3-9.5 3.0/12238=4, ~4242=4...(12) HG3 ARG 91 - HE2 LYS 94 lone 6 98 50 13 4.0-9.7 4.0/12238=4, 2.8/912=1...(4) HG LEU 38 - HE3 LYS 66 far 0 96 0 - 5.1-11.4 HB2 LEU 38 - HE3 LYS 66 far 0 96 0 - 5.3-9.6 HG LEU 38 - HE2 LYS 66 far 0 89 0 - 5.4-12.2 HB2 ARG 91 - HE3 LYS 90 far 0 51 0 - 5.4-8.6 HG2 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.6-10.2 HB2 LEU 38 - HE2 LYS 66 far 0 89 0 - 5.6-10.4 HB3 LEU 64 - HE3 LYS 68 far 0 71 0 - 6.0-8.8 QB ALA 22 - HE3 LYS 20 far 0 89 0 - 6.3-8.4 HB3 LEU 64 - HE2 LYS 68 far 0 71 0 - 6.4-9.2 HG LEU 29 - HE3 LYS 20 far 0 89 0 - 6.4-11.9 QB ALA 22 - HE2 LYS 20 far 0 90 0 - 6.7-8.8 HG2 LYS 73 - HE3 LYS 66 far 0 61 0 - 6.8-11.5 HG2 LYS 73 - HE2 LYS 66 far 0 54 0 - 6.9-12.3 QB ALA 22 - HE2 LYS 94 far 0 86 0 - 7.1-10.0 HG LEU 64 - HE3 LYS 66 far 0 82 0 - 7.2-11.0 HG2 LYS 13 - HE3 LYS 90 far 0 53 0 - 7.3-12.4 HD2 LYS 82 - HE2 LYS 68 far 0 100 0 - 7.5-12.8 HG3 LYS 39 - HE3 LYS 66 far 0 90 0 - 7.6-12.7 HG2 LYS 66 - HE3 LYS 68 far 0 69 0 - 7.7-12.5 HD2 LYS 82 - HE3 LYS 68 far 0 100 0 - 7.8-12.7 HG2 LYS 66 - HE2 LYS 68 far 0 69 0 - 7.8-13.1 HG LEU 29 - HE2 LYS 20 far 0 90 0 - 8.0-11.9 QB ALA 22 - HE3 LYS 94 far 0 89 0 - 8.0-10.0 HG LEU 64 - HE2 LYS 66 far 0 73 0 - 8.1-10.8 HG2 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.2-13.6 HG3 LYS 39 - HE2 LYS 66 far 0 81 0 - 8.5-11.9 HB2 LEU 27 - HE2 LYS 94 far 0 99 0 - 8.5-12.8 HG2 LYS 12 - HE3 LYS 20 far 0 98 0 - 8.6-14.8 QB ALA 22 - HE3 LYS 90 far 0 60 0 - 8.6-10.7 HB3 LEU 64 - HE3 LYS 66 far 0 65 0 - 8.7-11.5 HG2 LYS 20 - HE2 LYS 94 far 0 99 0 - 8.9-13.4 HG12 ILE 7 - HE3 LYS 90 far 0 45 0 - 9.0-12.9 HG2 LYS 73 - HE3 LYS 68 far 0 67 0 - 9.2-12.7 HG3 LYS 66 - HE3 LYS 68 far 0 65 0 - 9.2-12.5 HG3 LYS 66 - HE2 LYS 68 far 0 65 0 - 9.3-12.7 HG2 LYS 73 - HE2 LYS 68 far 0 67 0 - 9.3-12.9 HG2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.4-13.0 HG LEU 29 - HE3 LYS 90 far 0 60 0 - 9.5-13.6 HB3 LEU 64 - HE2 LYS 66 far 0 57 0 - 9.5-11.8 HG2 LYS 12 - HE2 LYS 20 far 0 98 0 - 9.5-15.2 HD2 LYS 82 - HE3 LYS 66 far 0 96 0 - 9.9-15.5 HB2 LEU 27 - HE3 LYS 20 far 0 100 0 - 9.9-12.7 HB2 LEU 27 - HE3 LYS 94 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 931 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 15 out of 75 assignments used, quality = 1.00: HG3 LYS 20 + HE3 LYS 20 OK 91 100 100 91 2.5-4.1 3.6=46, 1.8/941=9...(59) * HG3 LYS 20 + HE2 LYS 20 OK 91 100 100 91 2.4-3.8 3.6=46, 1.8/941=9...(58) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.4-3.0 3.0=77, 2.8/941=7...(33) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=7...(33) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 95 2.3-3.0 3.0=77, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 85 89 100 95 2.6-3.0 3.0=77, 3.0/4267=7...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 68 + HE3 LYS 68 OK 83 87 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 66 + HE3 LYS 66 OK 71 76 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(19) HG2 LYS 68 + HE2 LYS 68 OK 67 73 100 91 2.0-4.2 3.6=44, 1.8/4267=10...(61) HG2 LYS 68 + HE3 LYS 68 OK 66 73 100 91 2.0-4.0 3.6=44, 1.8/4267=10...(61) HD3 LYS 66 + HE2 LYS 66 OK 62 67 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(18) HD3 LYS 90 + HE3 LYS 90 OK 54 60 100 90 2.6-3.0 3.0=80, 2.9/4005=16...(14) HG LEU 70 - HE2 LYS 66 poor 18 71 25 - 2.8-7.6 HG LEU 70 - HE3 LYS 66 poor 16 80 20 - 2.4-6.2 HB3 ARG 91 - HE2 LYS 94 poor 11 97 50 23 2.8-9.1 1820/3.9=3, 1820/3.9=3...(9) HB3 ARG 91 - HE3 LYS 94 poor 8 99 35 23 2.9-8.3 1820/3.9=3, 1820/3.9=3...(10) HG2 PRO 86 - HE3 LYS 90 far 6 64 10 - 4.0-8.1 HD2 LYS 24 - HE2 LYS 94 far 4 87 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 4 86 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 4 86 5 - 4.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.4-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 90 0 - 4.6-10.4 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 5.0-13.8 HD3 LYS 13 - HE3 LYS 90 far 0 52 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 55 0 - 5.2-12.7 HD3 LYS 24 - HE3 LYS 20 far 0 89 0 - 5.4-11.7 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.5-13.1 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 95 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 71 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 92 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 67 0 - 6.0-11.4 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.0-11.5 HD3 LYS 39 - HE3 LYS 66 far 0 65 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 77 0 - 6.3-10.6 HD3 LYS 90 - HE2 LYS 20 far 0 90 0 - 6.4-11.9 HD2 LYS 39 - HE3 LYS 66 far 0 86 0 - 6.5-11.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.7-12.9 HD3 LYS 90 - HE3 LYS 20 far 0 89 0 - 7.2-11.1 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 59 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 83 0 - 7.3-12.3 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.5-15.2 HD3 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 57 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 7.8-12.5 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 8.2-11.8 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.3-11.1 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.4-14.7 HD2 LYS 68 - HE2 LYS 66 far 0 74 0 - 8.4-12.3 HG LEU 70 - HE2 LYS 68 far 0 87 0 - 8.5-11.3 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 63 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 20 far 0 93 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 98 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 9.5-13.1 HD2 LYS 24 - HE3 LYS 90 far 0 61 0 - 9.6-15.2 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-14.2 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 932 from cnoeabs.peaks (1.68, 2.91, 41.80 ppm; 2.74 A): 15 out of 77 assignments used, quality = 1.00: HG3 LYS 20 + HE3 LYS 20 OK 91 100 100 91 2.5-4.1 3.6=46, 1.8/941=9...(59) HG3 LYS 20 + HE2 LYS 20 OK 91 100 100 91 2.4-3.8 3.6=46, 1.8/941=9...(58) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) * HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.4-3.0 3.0=77, 2.8/941=7...(33) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=7...(33) HD2 LYS 68 + HE2 LYS 68 OK 81 85 100 95 2.3-3.0 3.0=77, 3.0/4267=7...(58) HD2 LYS 68 + HE3 LYS 68 OK 81 85 100 95 2.6-3.0 3.0=77, 3.0/4267=7...(58) HD3 LYS 68 + HE2 LYS 68 OK 80 84 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(58) HD3 LYS 68 + HE3 LYS 68 OK 79 83 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(58) HD3 LYS 66 + HE3 LYS 66 OK 75 80 100 93 2.2-3.0 2.9=82, 2943/4.7=14...(20) HD3 LYS 66 + HE2 LYS 66 OK 67 71 100 94 2.2-3.0 2.9=82, 2943/4.7=14...(18) HG2 LYS 68 + HE2 LYS 68 OK 61 67 100 91 2.0-4.2 3.6=44, 1.8/4267=10...(60) HG2 LYS 68 + HE3 LYS 68 OK 61 67 100 91 2.0-4.0 3.6=44, 1.8/4267=10...(60) HD3 LYS 90 + HE3 LYS 90 OK 57 63 100 90 2.6-3.0 3.0=80, 2.9/4005=16...(14) HG LEU 70 - HE2 LYS 66 poor 19 75 25 - 2.8-7.6 HG LEU 70 - HE3 LYS 66 poor 17 84 20 - 2.4-6.2 HB3 ARG 91 - HE2 LYS 94 poor 11 98 50 23 2.8-9.1 1820/3.9=3, 1820/3.9=3...(9) HB3 ARG 91 - HE3 LYS 94 poor 8 100 35 23 2.9-8.3 1820/3.9=3, 1820/3.9=3...(10) HG2 PRO 86 - HE3 LYS 90 far 7 67 10 - 4.0-8.1 HD2 LYS 24 - HE2 LYS 94 far 5 91 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 4 90 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 4 90 5 - 4.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.4-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 93 0 - 4.6-10.4 HB3 LEU 70 - HE3 LYS 66 far 0 56 0 - 4.8-8.9 HD3 LYS 90 - HE3 LYS 94 far 0 93 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 93 0 - 5.0-13.8 HD3 LYS 13 - HE3 LYS 90 far 0 56 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 58 0 - 5.2-12.7 HB3 LEU 70 - HE2 LYS 66 far 0 48 0 - 5.3-9.9 HD3 LYS 24 - HE3 LYS 20 far 0 93 0 - 5.4-11.7 HD2 LYS 24 - HE3 LYS 94 far 0 94 0 - 5.5-13.1 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 86 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 73 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 87 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 88 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 61 0 - 6.0-11.4 HD2 LYS 24 - HE2 LYS 20 far 0 94 0 - 6.0-11.5 HD3 LYS 39 - HE3 LYS 66 far 0 60 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 73 0 - 6.3-10.6 HD3 LYS 90 - HE2 LYS 20 far 0 93 0 - 6.4-11.9 HD2 LYS 39 - HE3 LYS 66 far 0 82 0 - 6.5-11.3 HD2 LYS 24 - HE3 LYS 20 far 0 94 0 - 6.7-12.9 HD3 LYS 90 - HE3 LYS 20 far 0 93 0 - 7.2-11.1 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 93 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 54 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 79 0 - 7.3-12.3 HD3 LYS 12 - HE3 LYS 20 far 0 88 0 - 7.5-15.2 HD3 LYS 68 - HE3 LYS 66 far 0 77 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 52 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 98 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 88 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 96 0 - 7.8-12.5 HD3 LYS 66 - HE3 LYS 68 far 0 86 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 87 0 - 8.2-11.8 HG LEU 70 - HE3 LYS 68 far 0 90 0 - 8.3-11.1 HD3 LYS 24 - HE3 LYS 90 far 0 63 0 - 8.4-14.7 HD2 LYS 68 - HE2 LYS 66 far 0 70 0 - 8.4-12.3 HG LEU 70 - HE2 LYS 68 far 0 91 0 - 8.5-11.3 HD3 LYS 68 - HE2 LYS 66 far 0 69 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 66 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 20 far 0 96 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 98 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 96 0 - 9.5-13.1 HD2 LYS 24 - HE3 LYS 90 far 0 64 0 - 9.6-15.2 HD3 LYS 13 - HE3 LYS 20 far 0 85 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-14.2 HG12 ILE 15 - HE2 LYS 20 far 0 96 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 933 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 15 out of 75 assignments used, quality = 1.00: HG3 LYS 20 + HE3 LYS 20 OK 91 100 100 91 2.5-4.1 3.6=46, 1.8/941=9...(59) HG3 LYS 20 + HE2 LYS 20 OK 91 100 100 91 2.4-3.8 3.6=46, 1.8/941=9...(58) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.4-3.0 3.0=77, 2.8/941=7...(33) * HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=7...(33) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 95 2.3-3.0 3.0=77, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 85 89 100 95 2.6-3.0 3.0=77, 3.0/4267=7...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 68 + HE3 LYS 68 OK 83 87 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 66 + HE3 LYS 66 OK 71 76 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(19) HG2 LYS 68 + HE2 LYS 68 OK 67 73 100 91 2.0-4.2 3.6=44, 1.8/4267=10...(61) HG2 LYS 68 + HE3 LYS 68 OK 66 73 100 91 2.0-4.0 3.6=44, 1.8/4267=10...(61) HD3 LYS 66 + HE2 LYS 66 OK 62 67 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(18) HD3 LYS 90 + HE3 LYS 90 OK 54 60 100 90 2.6-3.0 3.0=80, 2.9/4005=16...(14) HG LEU 70 - HE2 LYS 66 poor 18 71 25 - 2.8-7.6 HG LEU 70 - HE3 LYS 66 poor 16 80 20 - 2.4-6.2 HB3 ARG 91 - HE2 LYS 94 poor 11 97 50 23 2.8-9.1 1820/3.9=3, 1820/3.9=3...(9) HB3 ARG 91 - HE3 LYS 94 poor 8 99 35 23 2.9-8.3 1820/3.9=3, 1820/3.9=3...(10) HG2 PRO 86 - HE3 LYS 90 far 6 64 10 - 4.0-8.1 HD2 LYS 24 - HE2 LYS 94 far 4 87 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 4 86 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 4 86 5 - 4.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 73 0 - 4.4-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 90 0 - 4.6-10.4 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 5.0-13.8 HD3 LYS 13 - HE3 LYS 90 far 0 52 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 55 0 - 5.2-12.7 HD3 LYS 24 - HE3 LYS 20 far 0 89 0 - 5.4-11.7 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.5-13.1 HD3 LYS 20 - HE3 LYS 90 far 0 73 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 95 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 71 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 92 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 67 0 - 6.0-11.4 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.0-11.5 HD3 LYS 39 - HE3 LYS 66 far 0 65 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 77 0 - 6.3-10.6 HD3 LYS 90 - HE2 LYS 20 far 0 90 0 - 6.4-11.9 HD2 LYS 39 - HE3 LYS 66 far 0 86 0 - 6.5-11.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.7-12.9 HD3 LYS 90 - HE3 LYS 20 far 0 89 0 - 7.2-11.1 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 59 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 83 0 - 7.3-12.3 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.5-15.2 HD3 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 57 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 7.8-12.5 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 8.2-11.8 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.3-11.1 HD3 LYS 24 - HE3 LYS 90 far 0 60 0 - 8.4-14.7 HD2 LYS 68 - HE2 LYS 66 far 0 74 0 - 8.4-12.3 HG LEU 70 - HE2 LYS 68 far 0 87 0 - 8.5-11.3 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 63 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 20 far 0 93 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 98 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 9.5-13.1 HD2 LYS 24 - HE3 LYS 90 far 0 61 0 - 9.6-15.2 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-14.2 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 934 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 97 97 - 100 HE3 LYS 66 + HE3 LYS 66 OK 94 94 - 100 HE2 LYS 66 + HE2 LYS 66 OK 80 80 - 100 HE3 LYS 90 + HE3 LYS 90 OK 57 57 - 100 Peak 935 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 98 98 - 100 HE3 LYS 66 + HE3 LYS 66 OK 93 93 - 100 HE2 LYS 66 + HE2 LYS 66 OK 79 79 - 100 HE3 LYS 90 + HE3 LYS 90 OK 58 58 - 100 Reference assignment not found: HE3 LYS 20 - HE2 LYS 20 Peak 936 from cnoeabs.peaks (7.68, 2.91, 41.80 ppm; 5.69 A): 2 out of 16 assignments used, quality = 1.00: H MET 21 + HE3 LYS 20 OK 100 100 100 100 4.3-5.6 869/4.7=67, 903/3.6=63...(14) * H MET 21 + HE2 LYS 20 OK 100 100 100 100 4.3-5.5 869/4.7=67, 903/3.6=63...(14) H MET 21 - HE3 LYS 90 poor 19 73 35 72 6.0-8.7 8550/6.2=45, 8561/3.8=21...(6) H ALA 25 - HE3 LYS 94 far 13 84 15 - 6.3-11.4 H LEU 64 - HE3 LYS 66 far 10 65 15 - 6.5-9.3 H ALA 25 - HE2 LYS 94 poor 5 80 25 23 4.6-10.6 993/997=9, 10032/10012=5...(6) H GLU 98 - HE3 LYS 94 far 4 79 5 - 6.9-9.8 H GLU 98 - HE2 LYS 94 far 4 75 5 - 6.9-10.1 H LEU 64 - HE2 LYS 68 far 4 71 5 - 6.9-10.1 H LEU 64 - HE3 LYS 68 far 4 71 5 - 7.1-10.2 H LEU 64 - HE2 LYS 66 far 3 57 5 - 7.0-9.5 H MET 21 - HE3 LYS 94 far 0 100 0 - 7.2-10.4 H MET 21 - HE2 LYS 94 far 0 99 0 - 7.3-10.2 H SER 85 - HE3 LYS 90 far 0 73 0 - 8.2-11.3 H ALA 25 - HE3 LYS 20 far 0 84 0 - 8.7-10.9 H ALA 25 - HE2 LYS 20 far 0 84 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 937 from cnoeabs.peaks (7.79, 2.91, 41.80 ppm; 4.63 A): 4 out of 14 assignments used, quality = 1.00: * H LYS 20 + HE3 LYS 20 OK 100 100 100 100 1.8-4.9 893/3.6=69, 882/3.6=66...(31) H LYS 20 + HE2 LYS 20 OK 100 100 100 100 1.9-5.2 893/3.6=69, 882/3.6=66...(28) H LYS 66 + HE3 LYS 66 OK 93 93 100 100 3.0-5.9 7074/2.9=77, 7070/4.7=62...(32) H LYS 66 + HE2 LYS 66 OK 84 84 100 100 3.8-6.1 7074/2.9=77, 7070/4.7=62...(31) H LYS 66 - HE2 LYS 68 far 5 99 5 - 5.6-9.3 H LYS 66 - HE3 LYS 68 far 5 98 5 - 5.5-8.8 H LYS 20 - HE3 LYS 90 far 0 76 0 - 6.9-9.8 H VAL 78 - HE2 LYS 68 far 0 61 0 - 7.6-11.2 H VAL 78 - HE3 LYS 68 far 0 60 0 - 7.6-11.1 H GLU 99 - HE2 LYS 94 far 0 99 0 - 9.2-11.4 H GLU 99 - HE3 LYS 94 far 0 100 0 - 9.2-11.9 HE ARG 30 - HE3 LYS 20 far 0 100 0 - 9.5-17.8 H LYS 20 - HE2 LYS 94 far 0 99 0 - 9.7-12.7 H LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 938 from cnoeabs.peaks (4.05, 2.91, 41.80 ppm; 3.67 A): 9 out of 27 assignments used, quality = 1.00: * HA LYS 20 + HE3 LYS 20 OK 94 100 95 99 3.2-5.6 848/3.6=38, 851/3.6=20...(98) HA LYS 20 + HE2 LYS 20 OK 94 100 95 99 3.0-5.6 848/3.6=38, 851/3.6=20...(98) HA GLU 17 + HE3 LYS 20 OK 79 100 100 79 2.0-4.9 894/3.6=21, 883/3.6=17...(24) HA GLU 17 + HE2 LYS 20 OK 78 100 100 78 2.9-5.1 894/3.6=21, 883/3.6=17...(22) HA LYS 66 + HE3 LYS 66 OK 76 76 100 100 1.9-4.1 2942/2.9=40, 3.0/2906=24...(53) HA LYS 66 + HE2 LYS 66 OK 67 67 100 100 2.6-4.3 2942/2.9=40, 3.0/2906=24...(53) HA GLU 16 + HE3 LYS 20 OK 37 100 55 68 2.8-7.5 848/3.6=15, 850/3.0=11...(22) HA GLU 16 + HE2 LYS 20 OK 36 100 55 66 4.0-7.9 848/3.6=15, 850/3.0=11...(20) HA GLU 17 + HE3 LYS 90 OK 21 76 50 56 4.1-6.8 2.9/4255=9, ~10433=8...(16) HA PRO 86 - HE3 LYS 90 poor 10 39 55 46 4.0-7.8 ~12334=11, 2.3/12259=6...(11) HA LEU 70 - HE3 LYS 66 far 3 66 5 - 5.1-8.7 HA LEU 70 - HE2 LYS 66 far 0 57 0 - 5.3-10.4 HA GLU 95 - HE3 LYS 94 far 0 79 0 - 5.9-8.9 HA GLU 95 - HE2 LYS 94 far 0 76 0 - 6.1-8.5 HA LYS 66 - HE3 LYS 68 far 0 83 0 - 6.4-9.7 HA LYS 66 - HE2 LYS 68 far 0 83 0 - 6.6-10.3 HA GLU 16 - HE3 LYS 90 far 0 74 0 - 7.8-11.2 HA PRO 86 - HE3 LYS 20 far 0 61 0 - 8.0-12.0 HA LYS 20 - HE3 LYS 90 far 0 76 0 - 8.7-11.6 HA GLU 17 - HE3 LYS 94 far 0 100 0 - 8.9-12.7 HA LYS 20 - HE2 LYS 94 far 0 99 0 - 9.0-13.0 HA LEU 70 - HE3 LYS 68 far 0 72 0 - 9.2-11.5 HA PRO 86 - HE2 LYS 20 far 0 61 0 - 9.2-12.2 HA GLU 17 - HE2 LYS 94 far 0 99 0 - 9.2-12.2 HA LEU 70 - HE2 LYS 68 far 0 73 0 - 9.4-11.6 HA LYS 20 - HE3 LYS 94 far 0 100 0 - 9.6-13.3 HA PRO 86 - HE2 LYS 94 far 0 59 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 939 from cnoeabs.peaks (1.89, 2.91, 41.80 ppm; 3.64 A): 10 out of 45 assignments used, quality = 1.00: * HB2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 1.9-3.6 4.7=46, 4.0/6314=16...(89) HB2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 1.9-3.5 4.7=46, 4.0/6314=16...(89) HB3 LYS 68 + HE2 LYS 68 OK 93 94 100 99 2.9-5.0 5.0=39, 2.9/4267=14...(67) HB3 LYS 68 + HE3 LYS 68 OK 92 93 100 99 2.8-4.4 5.0=39, 2.9/4267=14...(68) HB3 LYS 66 + HE3 LYS 66 OK 73 73 100 100 3.4-4.6 4.7=46, ~2943=35...(43) HB2 LYS 94 + HE3 LYS 94 OK 66 71 95 98 3.7-5.3 4.8=44, 1.8/4206=27...(35) HB3 LYS 66 + HE2 LYS 66 OK 64 64 100 100 3.3-5.1 4.7=46, ~2943=35...(43) HB2 LYS 94 + HE2 LYS 94 OK 57 69 85 98 3.7-5.4 4.8=44, 1.8/4206=27...(36) HB2 ARG 19 + HE2 LYS 20 OK 23 100 55 42 3.6-7.8 797/6314=16, 788/6.3=7...(11) HB2 ARG 19 + HE3 LYS 20 OK 21 100 50 43 2.6-8.0 797/6314=16, 788/6.3=7...(11) HB3 GLU 104 - HE3 LYS 68 far 0 92 0 - 5.3-18.3 HB2 LYS 13 - HE3 LYS 90 far 0 55 0 - 5.7-10.6 HB3 GLU 104 - HE2 LYS 68 far 0 93 0 - 5.9-17.0 HB3 LYS 68 - HE3 LYS 66 far 0 87 0 - 6.2-9.1 HB3 LEU 14 - HE3 LYS 90 far 0 71 0 - 6.2-11.2 HB3 LYS 39 - HE3 LYS 66 far 0 75 0 - 6.5-12.1 HB3 GLU 104 - HE3 LYS 94 far 0 93 0 - 7.0-21.0 HB3 LYS 68 - HE2 LYS 66 far 0 77 0 - 7.4-9.2 HB3 LYS 13 - HE3 LYS 90 far 0 58 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 47 0 - 7.4-11.8 HB3 LYS 66 - HE3 LYS 68 far 0 79 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 65 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 80 0 - 7.7-11.0 HB2 LYS 13 - HE3 LYS 20 far 0 82 0 - 7.7-11.2 HB2 LYS 20 - HE3 LYS 90 far 0 76 0 - 7.9-10.8 HB2 LYS 12 - HE3 LYS 20 far 0 85 0 - 8.1-12.2 HB2 ARG 19 - HE3 LYS 90 far 0 76 0 - 8.3-11.7 HB3 GLU 104 - HE2 LYS 94 far 0 91 0 - 8.7-20.8 HB ILE 8 - HE2 LYS 66 far 0 86 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 95 0 - 8.8-11.5 HB3 LYS 13 - HE3 LYS 20 far 0 85 0 - 8.9-11.9 HB3 LYS 12 - HE3 LYS 20 far 0 88 0 - 9.1-13.0 HB2 LYS 13 - HE2 LYS 20 far 0 82 0 - 9.2-10.9 HB3 LEU 14 - HE3 LYS 20 far 0 98 0 - 9.2-12.8 HB3 LYS 33 - HE3 LYS 66 far 0 76 0 - 9.2-13.7 HB3 LYS 33 - HE2 LYS 66 far 0 67 0 - 9.3-13.7 HG LEU 42 - HE3 LYS 66 far 0 94 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 85 0 - 9.4-14.1 HB2 LYS 12 - HE2 LYS 20 far 0 85 0 - 9.7-13.0 HB2 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-13.6 HB2 LYS 33 - HE2 LYS 66 far 0 64 0 - 9.7-14.5 HB VAL 54 - HE3 LYS 68 far 0 99 0 - 9.7-13.5 HB VAL 5 - HE3 LYS 20 far 0 81 0 - 9.7-12.9 HB2 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.8-13.4 HB2 LYS 33 - HE3 LYS 66 far 0 73 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 940 from cnoeabs.peaks (1.93, 2.91, 41.80 ppm; 3.78 A): 7 out of 47 assignments used, quality = 1.00: * HB3 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.2-4.9 4.7=51, 871/6314=20...(82) HB3 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.4-3.7 4.7=51, 871/6314=20...(82) HB2 LYS 94 + HE3 LYS 94 OK 97 98 100 99 3.7-5.3 4.8=49, 1.8/4206=29...(35) HB2 LYS 94 + HE2 LYS 94 OK 86 96 90 99 3.7-5.4 4.8=49, 1.8/4206=29...(36) HB2 GLU 17 + HE3 LYS 90 OK 59 74 95 84 2.1-6.1 12027/3.8=34, ~10433=13...(23) HB3 ARG 19 + HE3 LYS 20 OK 26 100 55 48 2.3-8.5 4.1/6314=17, 798/6.3=10...(10) HB3 ARG 19 + HE2 LYS 20 OK 26 100 55 47 2.7-8.5 4.1/6314=17, 798/6.3=10...(10) HB3 LYS 24 - HE2 LYS 94 far 8 78 10 - 4.3-10.2 HB2 GLU 17 - HE3 LYS 20 far 5 100 5 - 4.1-7.9 HB2 GLU 17 - HE2 LYS 20 far 5 100 5 - 4.9-7.8 HB2 LYS 24 - HE2 LYS 20 far 4 81 5 - 5.2-8.2 HB2 LYS 24 - HE3 LYS 20 far 0 81 0 - 5.5-9.3 HB2 LYS 24 - HE2 LYS 94 far 0 78 0 - 5.6-11.8 HB3 LYS 24 - HE3 LYS 20 far 0 81 0 - 5.7-9.2 HB2 LYS 13 - HE3 LYS 90 far 0 66 0 - 5.7-10.6 HB3 LYS 24 - HE3 LYS 94 far 0 80 0 - 5.9-11.0 HB3 LYS 24 - HE2 LYS 20 far 0 81 0 - 6.1-8.2 HB3 LEU 14 - HE3 LYS 90 far 0 48 0 - 6.2-11.2 HB3 LYS 20 - HE3 LYS 90 far 0 76 0 - 7.0-10.5 HB2 LYS 24 - HE3 LYS 94 far 0 80 0 - 7.1-12.6 HB3 LYS 13 - HE3 LYS 90 far 0 64 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 72 0 - 7.4-11.8 HB VAL 32 - HE3 LYS 66 far 0 95 0 - 7.7-11.8 HB2 LYS 13 - HE3 LYS 20 far 0 94 0 - 7.7-11.2 HB2 LYS 73 - HE3 LYS 66 far 0 81 0 - 7.8-11.3 HG3 GLU 88 - HE3 LYS 90 far 0 73 0 - 7.9-10.7 HB3 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.0-12.5 HB3 LYS 20 - HE2 LYS 94 far 0 99 0 - 8.1-12.6 HB2 GLU 17 - HE3 LYS 94 far 0 100 0 - 8.2-12.4 HB2 LYS 73 - HE2 LYS 66 far 0 71 0 - 8.2-12.7 HB VAL 32 - HE2 LYS 66 far 0 86 0 - 8.2-12.2 HB2 GLU 17 - HE2 LYS 94 far 0 98 0 - 8.2-11.7 HB ILE 8 - HE2 LYS 66 far 0 45 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 53 0 - 8.8-11.5 HB3 LYS 73 - HE3 LYS 66 far 0 82 0 - 8.8-12.6 HB3 LYS 13 - HE3 LYS 20 far 0 92 0 - 8.9-11.9 HB3 LYS 73 - HE2 LYS 66 far 0 72 0 - 9.0-14.0 HB3 LYS 24 - HE3 LYS 90 far 0 54 0 - 9.1-11.5 HB2 LYS 13 - HE2 LYS 20 far 0 94 0 - 9.2-10.9 HB3 ARG 19 - HE3 LYS 90 far 0 75 0 - 9.2-12.9 HB3 LEU 14 - HE3 LYS 20 far 0 73 0 - 9.2-12.8 HB3 LYS 33 - HE3 LYS 66 far 0 86 0 - 9.2-13.7 HB3 LYS 33 - HE2 LYS 66 far 0 76 0 - 9.3-13.7 HG LEU 42 - HE3 LYS 66 far 0 55 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 47 0 - 9.4-14.1 HB2 LYS 33 - HE2 LYS 66 far 0 78 0 - 9.7-14.5 HB2 LYS 33 - HE3 LYS 66 far 0 88 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 941 from cnoeabs.peaks (1.46, 2.91, 41.80 ppm; 3.38 A): 8 out of 56 assignments used, quality = 1.00: * HG2 LYS 20 + HE3 LYS 20 OK 99 100 100 99 2.5-3.8 3.6=86, 882/6314=13...(94) HG2 LYS 20 + HE2 LYS 20 OK 99 100 100 99 2.5-4.1 3.6=86, 882/6314=13...(95) HG2 LYS 66 + HE3 LYS 66 OK 62 62 100 100 2.3-4.2 3.6=82, 2914/2.9=21...(51) HG3 LYS 66 + HE3 LYS 66 OK 58 58 100 100 2.0-3.9 3.6=82, 2914/2.9=21...(51) HG2 LYS 66 + HE2 LYS 66 OK 54 54 100 100 2.1-4.2 3.6=82, 2914/2.9=21...(51) HG3 LYS 66 + HE2 LYS 66 OK 50 50 100 100 2.0-4.2 3.6=82, 2914/2.9=21...(51) HG LEU 64 + HE3 LYS 68 OK 21 87 30 82 3.2-6.5 2.1/9484=19, ~10242=17...(18) HG3 ARG 91 + HE3 LYS 90 OK 21 75 50 56 3.1-6.8 ~4039=11, 4056/3.0=10...(16) HG LEU 64 - HE2 LYS 68 poor 18 88 25 82 3.4-6.7 2.1/9484=19, ~10242=17...(18) HG3 ARG 91 - HE3 LYS 94 far 15 100 15 - 4.6-9.3 HB2 ARG 91 - HE2 LYS 94 poor 10 76 40 33 2.8-10.0 ~4242=4, 3.0/12238=4...(11) HB2 ARG 91 - HE3 LYS 94 poor 8 79 30 34 4.3-9.5 3.0/12238=4, ~4242=4...(12) HG3 ARG 91 - HE2 LYS 94 lone 6 99 50 13 4.0-9.7 4.0/12238=4, 2.8/912=1...(4) HG LEU 38 - HE3 LYS 66 far 0 96 0 - 5.1-11.4 HB2 LEU 38 - HE3 LYS 66 far 0 96 0 - 5.3-9.6 HG LEU 38 - HE2 LYS 66 far 0 87 0 - 5.4-12.2 HB2 ARG 91 - HE3 LYS 90 far 0 53 0 - 5.4-8.6 HG2 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.6-10.2 HB2 LEU 38 - HE2 LYS 66 far 0 87 0 - 5.6-10.4 HB3 LEU 64 - HE3 LYS 68 far 0 70 0 - 6.0-8.8 QB ALA 22 - HE3 LYS 20 far 0 90 0 - 6.3-8.4 HB3 LEU 64 - HE2 LYS 68 far 0 71 0 - 6.4-9.2 HG LEU 29 - HE3 LYS 20 far 0 90 0 - 6.4-11.9 QB ALA 22 - HE2 LYS 20 far 0 89 0 - 6.7-8.8 HG2 LYS 73 - HE3 LYS 66 far 0 60 0 - 6.8-11.5 HG2 LYS 73 - HE2 LYS 66 far 0 52 0 - 6.9-12.3 QB ALA 22 - HE2 LYS 94 far 0 87 0 - 7.1-10.0 HG LEU 64 - HE3 LYS 66 far 0 81 0 - 7.2-11.0 HG2 LYS 13 - HE3 LYS 90 far 0 55 0 - 7.3-12.4 HD2 LYS 82 - HE2 LYS 68 far 0 100 0 - 7.5-12.8 HG3 LYS 39 - HE3 LYS 66 far 0 89 0 - 7.6-12.7 HG2 LYS 66 - HE3 LYS 68 far 0 68 0 - 7.7-12.5 HD2 LYS 82 - HE3 LYS 68 far 0 100 0 - 7.8-12.7 HG2 LYS 66 - HE2 LYS 68 far 0 69 0 - 7.8-13.1 HG LEU 29 - HE2 LYS 20 far 0 89 0 - 8.0-11.9 QB ALA 22 - HE3 LYS 94 far 0 89 0 - 8.0-10.0 HG LEU 64 - HE2 LYS 66 far 0 71 0 - 8.1-10.8 HG2 LYS 20 - HE3 LYS 94 far 0 100 0 - 8.2-13.6 HG3 LYS 39 - HE2 LYS 66 far 0 79 0 - 8.5-11.9 HB2 LEU 27 - HE2 LYS 94 far 0 99 0 - 8.5-12.8 HG2 LYS 12 - HE3 LYS 20 far 0 98 0 - 8.6-14.8 QB ALA 22 - HE3 LYS 90 far 0 62 0 - 8.6-10.7 HB3 LEU 64 - HE3 LYS 66 far 0 64 0 - 8.7-11.5 HG2 LYS 20 - HE2 LYS 94 far 0 99 0 - 8.9-13.4 HG12 ILE 7 - HE3 LYS 90 far 0 47 0 - 9.0-12.9 HG2 LYS 73 - HE3 LYS 68 far 0 66 0 - 9.2-12.7 HG3 LYS 66 - HE3 LYS 68 far 0 64 0 - 9.2-12.5 HG3 LYS 66 - HE2 LYS 68 far 0 65 0 - 9.3-12.7 HG2 LYS 73 - HE2 LYS 68 far 0 67 0 - 9.3-12.9 HG2 LYS 13 - HE3 LYS 20 far 0 82 0 - 9.4-13.0 HG LEU 29 - HE3 LYS 90 far 0 62 0 - 9.5-13.6 HB3 LEU 64 - HE2 LYS 66 far 0 56 0 - 9.5-11.8 HG2 LYS 12 - HE2 LYS 20 far 0 98 0 - 9.5-15.2 HD2 LYS 82 - HE3 LYS 66 far 0 96 0 - 9.9-15.5 HB2 LEU 27 - HE3 LYS 20 far 0 100 0 - 9.9-12.7 HB2 LEU 27 - HE3 LYS 94 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 942 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 15 out of 75 assignments used, quality = 1.00: * HG3 LYS 20 + HE3 LYS 20 OK 91 100 100 91 2.5-4.1 3.6=46, 1.8/941=9...(59) HG3 LYS 20 + HE2 LYS 20 OK 91 100 100 91 2.4-3.8 3.6=46, 1.8/941=9...(58) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.4-3.0 3.0=77, 2.8/941=7...(33) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=7...(33) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 95 2.3-3.0 3.0=77, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 84 88 100 95 2.6-3.0 3.0=77, 3.0/4267=7...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 68 + HE3 LYS 68 OK 83 87 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 66 + HE3 LYS 66 OK 69 75 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(19) HG2 LYS 68 + HE2 LYS 68 OK 67 73 100 91 2.0-4.2 3.6=44, 1.8/4267=10...(60) HG2 LYS 68 + HE3 LYS 68 OK 66 72 100 91 2.0-4.0 3.6=44, 1.8/4267=10...(61) HD3 LYS 66 + HE2 LYS 66 OK 61 65 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(18) HD3 LYS 90 + HE3 LYS 90 OK 56 62 100 90 2.6-3.0 3.0=80, 2.9/4005=17...(14) HG LEU 70 - HE2 LYS 66 poor 17 70 25 - 2.8-7.6 HG LEU 70 - HE3 LYS 66 poor 16 79 20 - 2.4-6.2 HB3 ARG 91 - HE2 LYS 94 poor 11 98 50 23 2.8-9.1 1820/3.9=3, 1820/3.9=3...(9) HB3 ARG 91 - HE3 LYS 94 poor 8 99 35 23 2.9-8.3 1820/3.9=3, 1820/3.9=3...(10) HG2 PRO 86 - HE3 LYS 90 far 7 66 10 - 4.0-8.1 HD2 LYS 24 - HE2 LYS 94 far 4 88 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 4 87 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 4 87 5 - 4.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.4-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 89 0 - 4.6-10.4 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 5.0-13.8 HD3 LYS 13 - HE3 LYS 90 far 0 54 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 5.2-12.7 HD3 LYS 24 - HE3 LYS 20 far 0 90 0 - 5.4-11.7 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.5-13.1 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 74 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 91 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 66 0 - 6.0-11.4 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.0-11.5 HD3 LYS 39 - HE3 LYS 66 far 0 64 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 75 0 - 6.3-10.6 HD3 LYS 90 - HE2 LYS 20 far 0 89 0 - 6.4-11.9 HD2 LYS 39 - HE3 LYS 66 far 0 84 0 - 6.5-11.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.7-12.9 HD3 LYS 90 - HE3 LYS 20 far 0 90 0 - 7.2-11.1 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 57 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.3-12.3 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.5-15.2 HD3 LYS 68 - HE3 LYS 66 far 0 81 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 56 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 7.8-12.5 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 8.2-11.8 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.3-11.1 HD3 LYS 24 - HE3 LYS 90 far 0 62 0 - 8.4-14.7 HD2 LYS 68 - HE2 LYS 66 far 0 72 0 - 8.4-12.3 HG LEU 70 - HE2 LYS 68 far 0 86 0 - 8.5-11.3 HD3 LYS 68 - HE2 LYS 66 far 0 71 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 65 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 20 far 0 93 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 9.5-13.1 HD2 LYS 24 - HE3 LYS 90 far 0 63 0 - 9.6-15.2 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-14.2 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 943 from cnoeabs.peaks (1.68, 2.91, 41.80 ppm; 2.74 A): 15 out of 77 assignments used, quality = 1.00: HG3 LYS 20 + HE3 LYS 20 OK 91 100 100 91 2.5-4.1 3.6=46, 1.8/941=9...(59) HG3 LYS 20 + HE2 LYS 20 OK 91 100 100 91 2.4-3.8 3.6=46, 1.8/941=9...(58) * HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.4-3.0 3.0=77, 2.8/941=7...(33) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=7...(33) HD2 LYS 68 + HE2 LYS 68 OK 81 85 100 95 2.3-3.0 3.0=77, 3.0/4267=7...(58) HD2 LYS 68 + HE3 LYS 68 OK 80 84 100 95 2.6-3.0 3.0=77, 3.0/4267=7...(58) HD3 LYS 68 + HE2 LYS 68 OK 80 83 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(58) HD3 LYS 68 + HE3 LYS 68 OK 79 83 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(58) HD3 LYS 66 + HE3 LYS 66 OK 74 79 100 93 2.2-3.0 2.9=82, 2943/4.7=14...(20) HD3 LYS 66 + HE2 LYS 66 OK 65 70 100 93 2.2-3.0 2.9=82, 2943/4.7=14...(18) HG2 LYS 68 + HE2 LYS 68 OK 61 67 100 91 2.0-4.2 3.6=44, 1.8/4267=10...(60) HG2 LYS 68 + HE3 LYS 68 OK 60 66 100 91 2.0-4.0 3.6=44, 1.8/4267=10...(60) HD3 LYS 90 + HE3 LYS 90 OK 59 65 100 90 2.6-3.0 3.0=80, 2.9/4005=17...(14) HG LEU 70 - HE2 LYS 66 poor 18 74 25 - 2.8-7.6 HG LEU 70 - HE3 LYS 66 poor 17 83 20 - 2.4-6.2 HB3 ARG 91 - HE2 LYS 94 poor 12 99 50 23 2.8-9.1 1820/3.9=3, 1820/3.9=3...(9) HB3 ARG 91 - HE3 LYS 94 poor 8 100 35 23 2.9-8.3 1820/3.9=3, 1820/3.9=3...(10) HG2 PRO 86 - HE3 LYS 90 far 7 69 10 - 4.0-8.1 HD2 LYS 24 - HE2 LYS 94 far 5 92 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 5 91 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 5 91 5 - 4.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.4-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 93 0 - 4.6-10.4 HB3 LEU 70 - HE3 LYS 66 far 0 55 0 - 4.8-8.9 HD3 LYS 90 - HE3 LYS 94 far 0 93 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 93 0 - 5.0-13.8 HD3 LYS 13 - HE3 LYS 90 far 0 58 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 61 0 - 5.2-12.7 HB3 LEU 70 - HE2 LYS 66 far 0 47 0 - 5.3-9.9 HD3 LYS 24 - HE3 LYS 20 far 0 93 0 - 5.4-11.7 HD2 LYS 24 - HE3 LYS 94 far 0 94 0 - 5.5-13.1 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 84 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 75 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 87 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 88 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 60 0 - 6.0-11.4 HD2 LYS 24 - HE2 LYS 20 far 0 94 0 - 6.0-11.5 HD3 LYS 39 - HE3 LYS 66 far 0 58 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 71 0 - 6.3-10.6 HD3 LYS 90 - HE2 LYS 20 far 0 93 0 - 6.4-11.9 HD2 LYS 39 - HE3 LYS 66 far 0 81 0 - 6.5-11.3 HD2 LYS 24 - HE3 LYS 20 far 0 94 0 - 6.7-12.9 HD3 LYS 90 - HE3 LYS 20 far 0 93 0 - 7.2-11.1 HD3 LYS 73 - HE2 LYS 66 far 0 83 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 92 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 52 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 78 0 - 7.3-12.3 HD3 LYS 12 - HE3 LYS 20 far 0 88 0 - 7.5-15.2 HD3 LYS 68 - HE3 LYS 66 far 0 76 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 50 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 88 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 96 0 - 7.8-12.5 HD3 LYS 66 - HE3 LYS 68 far 0 86 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 88 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 86 0 - 8.2-11.8 HG LEU 70 - HE3 LYS 68 far 0 89 0 - 8.3-11.1 HD3 LYS 24 - HE3 LYS 90 far 0 65 0 - 8.4-14.7 HD2 LYS 68 - HE2 LYS 66 far 0 68 0 - 8.4-12.3 HG LEU 70 - HE2 LYS 68 far 0 90 0 - 8.5-11.3 HD3 LYS 68 - HE2 LYS 66 far 0 67 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 20 far 0 96 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 96 0 - 9.5-13.1 HD2 LYS 24 - HE3 LYS 90 far 0 66 0 - 9.6-15.2 HD3 LYS 13 - HE3 LYS 20 far 0 85 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-14.2 HG12 ILE 15 - HE2 LYS 20 far 0 96 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 944 from cnoeabs.peaks (1.67, 2.91, 41.80 ppm; 2.74 A): 15 out of 75 assignments used, quality = 1.00: HG3 LYS 20 + HE3 LYS 20 OK 91 100 100 91 2.5-4.1 3.6=46, 1.8/941=9...(59) HG3 LYS 20 + HE2 LYS 20 OK 91 100 100 91 2.4-3.8 3.6=46, 1.8/941=9...(58) HD2 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) HD2 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.2-3.0 3.0=77, 2.8/941=7...(34) * HD3 LYS 20 + HE3 LYS 20 OK 90 100 100 90 2.4-3.0 3.0=77, 2.8/941=7...(33) HD3 LYS 20 + HE2 LYS 20 OK 90 100 100 90 2.3-3.0 3.0=77, 2.8/941=7...(33) HD2 LYS 68 + HE2 LYS 68 OK 85 89 100 95 2.3-3.0 3.0=77, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 84 88 100 95 2.6-3.0 3.0=77, 3.0/4267=7...(59) HD3 LYS 68 + HE2 LYS 68 OK 84 88 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 68 + HE3 LYS 68 OK 83 87 100 95 2.2-3.0 3.0=77, 3.0/4267=7...(60) HD3 LYS 66 + HE3 LYS 66 OK 69 75 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(19) HG2 LYS 68 + HE2 LYS 68 OK 67 73 100 91 2.0-4.2 3.6=44, 1.8/4267=10...(60) HG2 LYS 68 + HE3 LYS 68 OK 66 72 100 91 2.0-4.0 3.6=44, 1.8/4267=10...(61) HD3 LYS 66 + HE2 LYS 66 OK 61 65 100 93 2.2-3.0 2.9=82, 2943/4.7=13...(18) HD3 LYS 90 + HE3 LYS 90 OK 56 62 100 90 2.6-3.0 3.0=80, 2.9/4005=17...(14) HG LEU 70 - HE2 LYS 66 poor 17 70 25 - 2.8-7.6 HG LEU 70 - HE3 LYS 66 poor 16 79 20 - 2.4-6.2 HB3 ARG 91 - HE2 LYS 94 poor 11 98 50 23 2.8-9.1 1820/3.9=3, 1820/3.9=3...(9) HB3 ARG 91 - HE3 LYS 94 poor 8 99 35 23 2.9-8.3 1820/3.9=3, 1820/3.9=3...(10) HG2 PRO 86 - HE3 LYS 90 far 7 66 10 - 4.0-8.1 HD2 LYS 24 - HE2 LYS 94 far 4 88 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 4 87 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 4 87 5 - 4.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 76 0 - 4.4-9.9 HD3 LYS 24 - HE2 LYS 20 far 0 89 0 - 4.6-10.4 HD3 LYS 90 - HE3 LYS 94 far 0 89 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 89 0 - 5.0-13.8 HD3 LYS 13 - HE3 LYS 90 far 0 54 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 5.2-12.7 HD3 LYS 24 - HE3 LYS 20 far 0 90 0 - 5.4-11.7 HD2 LYS 24 - HE3 LYS 94 far 0 91 0 - 5.5-13.1 HD3 LYS 20 - HE3 LYS 90 far 0 76 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 74 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 91 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 91 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 66 0 - 6.0-11.4 HD2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.0-11.5 HD3 LYS 39 - HE3 LYS 66 far 0 64 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 75 0 - 6.3-10.6 HD3 LYS 90 - HE2 LYS 20 far 0 89 0 - 6.4-11.9 HD2 LYS 39 - HE3 LYS 66 far 0 84 0 - 6.5-11.3 HD2 LYS 24 - HE3 LYS 20 far 0 91 0 - 6.7-12.9 HD3 LYS 90 - HE3 LYS 20 far 0 90 0 - 7.2-11.1 HD3 LYS 73 - HE2 LYS 66 far 0 84 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 57 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.3-12.3 HD3 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.5-15.2 HD3 LYS 68 - HE3 LYS 66 far 0 81 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 56 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 100 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 99 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 84 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 7.8-12.5 HD3 LYS 66 - HE3 LYS 68 far 0 81 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 84 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 82 0 - 8.2-11.8 HG LEU 70 - HE3 LYS 68 far 0 86 0 - 8.3-11.1 HD3 LYS 24 - HE3 LYS 90 far 0 62 0 - 8.4-14.7 HD2 LYS 68 - HE2 LYS 66 far 0 72 0 - 8.4-12.3 HG LEU 70 - HE2 LYS 68 far 0 86 0 - 8.5-11.3 HD3 LYS 68 - HE2 LYS 66 far 0 71 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 65 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 20 far 0 93 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 99 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 94 0 - 9.5-13.1 HD2 LYS 24 - HE3 LYS 90 far 0 63 0 - 9.6-15.2 HD3 LYS 13 - HE3 LYS 20 far 0 81 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 100 0 - 9.7-14.2 HG12 ILE 15 - HE2 LYS 20 far 0 93 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 945 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 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 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 99 99 - 100 HE2 LYS 94 + HE2 LYS 94 OK 98 98 - 100 HE3 LYS 66 + HE3 LYS 66 OK 93 93 - 100 HE2 LYS 66 + HE2 LYS 66 OK 78 78 - 100 HE3 LYS 90 + HE3 LYS 90 OK 59 59 - 100 Reference assignment not found: HE2 LYS 20 - HE3 LYS 20 Peak 946 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 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 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 99 99 - 100 HE2 LYS 94 + HE2 LYS 94 OK 98 98 - 100 HE3 LYS 66 + HE3 LYS 66 OK 92 92 - 100 HE2 LYS 66 + HE2 LYS 66 OK 77 77 - 100 HE3 LYS 90 + HE3 LYS 90 OK 61 61 - 100 Peak 948 from cnoeabs.peaks (7.68, 4.41, 57.01 ppm; 3.60 A): 2 out of 3 assignments used, quality = 1.00: * H MET 21 + HA MET 21 OK 100 100 100 100 2.8-2.8 3.0=100 H ALA 25 + HA MET 21 OK 77 84 100 92 3.9-4.7 6393=35, 6397/956=31...(21) H GLU 98 - HA MET 21 far 0 79 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 949 from cnoeabs.peaks (4.41, 4.41, 57.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA MET 21 + HA MET 21 OK 100 100 - 100 HA HIS 106 + HA HIS 106 OK 98 98 - 100 Peak 950 from cnoeabs.peaks (2.05, 4.41, 57.01 ppm; 3.48 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 21 + HA MET 21 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 GLU 23 - HA MET 21 far 0 65 0 - 5.5-7.4 HG12 ILE 93 - HA MET 21 far 0 98 0 - 6.3-7.7 HB3 LYS 94 - HA MET 21 far 0 81 0 - 6.5-8.3 HB2 GLU 99 - HA HIS 106 far 0 98 0 - 7.5-17.1 HB3 GLU 99 - HA HIS 106 far 0 95 0 - 7.9-17.0 HB3 GLU 88 - HA HIS 106 far 0 79 0 - 8.6-21.6 HB2 GLU 16 - HA MET 21 far 0 85 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 951 from cnoeabs.peaks (2.40, 4.41, 57.01 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: * HB3 MET 21 + HA MET 21 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 MET 21 + HA MET 21 OK 100 100 100 100 2.4-4.0 3.9=100 HG3 GLU 99 - HA HIS 106 far 0 57 0 - 7.8-18.5 HG3 GLU 17 - HA MET 21 far 0 77 0 - 8.5-9.7 HG2 GLN 72 - HA HIS 106 far 0 82 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 952 from cnoeabs.peaks (2.94, 4.41, 57.01 ppm; 4.28 A): 1 out of 11 assignments used, quality = 1.00: * HG2 MET 21 + HA MET 21 OK 100 100 100 100 3.5-4.1 3.9=100 HE2 LYS 24 - HA MET 21 poor 20 90 30 73 3.7-7.8 3.7/8594=19, 7.4/956=19...(8) HE3 LYS 24 - HA MET 21 poor 18 90 20 - 3.6-7.5 HE2 LYS 94 - HA MET 21 poor 12 92 25 53 4.6-8.4 997/954=19, 3.0/8565=11...(9) HE2 LYS 20 - HA MET 21 far 12 81 15 - 5.3-7.3 HE3 LYS 94 - HA MET 21 far 8 79 10 - 5.0-8.6 HE2 LYS 68 - HA HIS 106 far 7 74 10 - 3.9-19.2 HE3 LYS 68 - HA HIS 106 far 7 70 10 - 4.4-18.5 HE3 LYS 20 - HA MET 21 far 4 82 5 - 5.7-7.9 HE3 LYS 90 - HA MET 21 far 0 100 0 - 6.6-8.9 HE2 LYS 94 - HA HIS 106 far 0 89 0 - 9.2-26.0 Violated in 0 structures by 0.00 A. Peak 953 from cnoeabs.peaks (2.40, 4.41, 57.01 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: HB3 MET 21 + HA MET 21 OK 100 100 100 100 2.2-3.0 3.0=100 * HG3 MET 21 + HA MET 21 OK 100 100 100 100 2.4-4.0 3.9=100 HG3 GLU 99 - HA HIS 106 far 0 59 0 - 7.8-18.5 HG3 GLU 17 - HA MET 21 far 0 79 0 - 8.5-9.7 HG2 GLN 72 - HA HIS 106 far 0 84 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 954 from cnoeabs.peaks (2.10, 4.41, 57.01 ppm; 3.75 A): 1 out of 8 assignments used, quality = 1.00: * QE MET 21 + HA MET 21 OK 100 100 100 100 1.8-3.1 6337/3.0=63, 994=51...(32) HB2 GLU 23 - HA MET 21 far 0 98 0 - 5.5-7.4 HG3 GLU 104 - HA HIS 106 far 0 99 0 - 5.6-9.3 HB2 LEU 64 - HA HIS 106 far 0 94 0 - 8.6-21.9 HB3 GLU 88 - HA HIS 106 far 0 88 0 - 8.6-21.6 HB3 PRO 86 - HA MET 21 far 0 100 0 - 9.3-10.2 HB2 GLU 16 - HA MET 21 far 0 88 0 - 9.3-10.7 HB VAL 83 - HA HIS 106 far 0 94 0 - 9.8-22.0 Violated in 0 structures by 0.00 A. Peak 955 from cnoeabs.peaks (8.81, 4.41, 57.01 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + HA MET 21 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 956 from cnoeabs.peaks (7.57, 4.41, 57.01 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 24 + HA MET 21 OK 99 100 100 99 3.4-3.8 6373=50, 6374/3.6=49...(19) H GLU 88 - HA HIS 106 far 0 99 0 - 8.3-23.4 Violated in 0 structures by 0.00 A. Peak 957 from cnoeabs.peaks (1.96, 4.41, 57.01 ppm; 3.52 A): 3 out of 7 assignments used, quality = 0.99: * HB2 LYS 24 + HA MET 21 OK 79 100 100 79 3.4-4.8 4.0/956=31, 4.4/6393=18...(12) HB3 LYS 24 + HA MET 21 OK 79 100 100 79 2.3-3.4 4.0/956=31, 4.4/6393=18...(11) HB3 LYS 20 + HA MET 21 OK 69 81 100 85 3.8-4.9 6325/3.0=30, ~869=25...(16) HB2 GLU 17 - HA MET 21 far 0 91 0 - 6.2-8.4 QE MET 1 - HA HIS 106 far 0 94 0 - 6.9-19.9 HB3 ARG 19 - HA MET 21 far 0 71 0 - 7.2-8.5 HG3 GLU 88 - HA HIS 106 far 0 90 0 - 8.0-23.1 Violated in 0 structures by 0.00 A. Peak 958 from cnoeabs.peaks (1.96, 4.41, 57.01 ppm; 3.52 A): 3 out of 7 assignments used, quality = 0.99: HB2 LYS 24 + HA MET 21 OK 79 100 100 79 3.4-4.8 4.0/956=31, 4.4/6393=18...(12) * HB3 LYS 24 + HA MET 21 OK 79 100 100 79 2.3-3.4 4.0/956=31, 4.4/6393=18...(11) HB3 LYS 20 + HA MET 21 OK 69 81 100 85 3.8-4.9 6325/3.0=30, ~869=25...(16) HB2 GLU 17 - HA MET 21 far 0 91 0 - 6.2-8.4 QE MET 1 - HA HIS 106 far 0 94 0 - 6.9-19.9 HB3 ARG 19 - HA MET 21 far 0 71 0 - 7.2-8.5 HG3 GLU 88 - HA HIS 106 far 0 90 0 - 8.0-23.1 Violated in 0 structures by 0.00 A. Peak 959 from cnoeabs.peaks (3.77, 2.05, 32.03 ppm; 4.37 A): 1 out of 4 assignments used, quality = 0.99: * HA ALA 18 + HB2 MET 21 OK 99 100 100 99 2.5-3.9 769/6333=65, 770=58...(15) HA ARG 19 - HB2 MET 21 poor 17 70 25 - 5.1-6.8 HA ALA 18 - HB3 LYS 94 far 0 53 0 - 8.0-9.9 HB3 SER 102 - HB3 LYS 94 far 0 29 0 - 9.1-16.8 Violated in 0 structures by 0.00 A. Peak 960 from cnoeabs.peaks (7.68, 2.05, 32.03 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * H MET 21 + HB2 MET 21 OK 100 100 100 100 2.1-3.5 6333=100, 977/3.0=49...(13) H GLU 98 - HB3 LYS 94 poor 19 35 55 - 4.3-6.8 H ALA 25 - HB2 MET 21 poor 18 84 30 70 4.9-6.2 948/3.0=25, 8604/967=21...(12) H ALA 25 - HB3 LYS 94 far 0 38 0 - 7.2-9.0 H GLU 98 - HB2 MET 21 far 0 79 0 - 8.4-11.2 H MET 21 - HB3 LYS 94 far 0 53 0 - 8.4-10.3 Violated in 0 structures by 0.00 A. Peak 961 from cnoeabs.peaks (4.41, 2.05, 32.03 ppm; 3.75 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 21 + HB2 MET 21 OK 100 100 100 100 2.2-2.9 3.0=100 HA ALA 25 - HB3 LYS 94 far 0 53 0 - 6.3-8.4 HA MET 21 - HB3 LYS 94 far 0 53 0 - 6.5-8.3 HA ALA 25 - HB2 MET 21 far 0 100 0 - 6.7-8.2 Violated in 0 structures by 0.00 A. Peak 962 from cnoeabs.peaks (2.05, 2.05, 32.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 MET 21 + HB2 MET 21 OK 100 100 - 100 HB3 LYS 94 + HB3 LYS 94 OK 36 36 - 100 Peak 963 from cnoeabs.peaks (2.40, 2.05, 32.03 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: * HB3 MET 21 + HB2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 21 + HB2 MET 21 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 MET 21 - HB3 LYS 94 far 0 53 0 - 5.2-8.1 HB3 MET 21 - HB3 LYS 94 far 0 53 0 - 5.8-8.5 HG3 GLU 99 - HB3 LYS 94 far 0 25 0 - 6.1-10.6 HG3 GLU 17 - HB2 MET 21 far 0 77 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 964 from cnoeabs.peaks (2.94, 2.05, 32.03 ppm; 3.52 A): 3 out of 14 assignments used, quality = 1.00: * HG2 MET 21 + HB2 MET 21 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 94 + HB3 LYS 94 OK 40 44 95 98 3.8-5.0 4.8=40, 4257/2.9=14...(55) HE3 LYS 94 + HB3 LYS 94 OK 33 35 95 98 3.7-5.1 4.8=40, 4257/2.9=14...(56) HE3 LYS 24 - HB3 LYS 94 far 0 42 0 - 5.1-11.5 HG2 MET 21 - HB3 LYS 94 far 0 53 0 - 5.1-7.2 HE2 LYS 94 - HB2 MET 21 far 0 92 0 - 5.2-7.6 HE2 LYS 24 - HB2 MET 21 far 0 90 0 - 5.4-10.1 HE3 LYS 24 - HB2 MET 21 far 0 90 0 - 5.5-9.9 HE3 LYS 94 - HB2 MET 21 far 0 79 0 - 5.5-7.6 HE2 LYS 20 - HB2 MET 21 far 0 81 0 - 5.8-8.9 HE3 LYS 90 - HB2 MET 21 far 0 100 0 - 5.8-8.4 HE2 LYS 24 - HB3 LYS 94 far 0 42 0 - 6.6-11.9 HE3 LYS 20 - HB2 MET 21 far 0 82 0 - 6.8-8.9 HE3 LYS 90 - HB3 LYS 94 far 0 52 0 - 7.9-12.4 Violated in 0 structures by 0.00 A. Peak 965 from cnoeabs.peaks (2.40, 2.05, 32.03 ppm; 3.60 A): 2 out of 6 assignments used, quality = 1.00: HB3 MET 21 + HB2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 * HG3 MET 21 + HB2 MET 21 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 MET 21 - HB3 LYS 94 far 0 53 0 - 5.2-8.1 HB3 MET 21 - HB3 LYS 94 far 0 53 0 - 5.8-8.5 HG3 GLU 99 - HB3 LYS 94 far 0 26 0 - 6.1-10.6 HG3 GLU 17 - HB2 MET 21 far 0 79 0 - 7.9-9.6 Violated in 0 structures by 0.00 A. Peak 966 from cnoeabs.peaks (2.10, 2.05, 32.03 ppm; 2.94 A): 2 out of 7 assignments used, quality = 0.99: * QE MET 21 + HB2 MET 21 OK 97 100 100 97 1.8-3.1 995=64, 954/3.0=34...(23) QE MET 21 + HB3 LYS 94 OK 45 53 100 86 2.7-4.1 995=36, 8551/2.9=21...(23) HB2 GLU 23 - HB2 MET 21 far 0 98 0 - 6.9-9.1 HG3 GLU 104 - HB3 LYS 94 far 0 53 0 - 6.9-18.7 HB3 PRO 86 - HB2 MET 21 far 0 100 0 - 7.4-9.4 HB2 PRO 86 - HB2 MET 21 far 0 91 0 - 8.4-10.4 HB2 GLU 16 - HB2 MET 21 far 0 88 0 - 8.9-11.0 Violated in 0 structures by 0.00 A. Peak 967 from cnoeabs.peaks (8.81, 2.05, 32.03 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 22 + HB2 MET 21 OK 100 100 100 100 2.5-3.9 6345/6333=80, 4.6=77...(18) H ALA 22 - HB3 LYS 94 far 0 53 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 968 from cnoeabs.peaks (3.77, 2.40, 32.03 ppm; 4.95 A): 3 out of 4 assignments used, quality = 1.00: * HA ALA 18 + HB3 MET 21 OK 100 100 100 100 2.1-3.9 959/1.8=91, 769/4.0=66...(20) HA ALA 18 + HG3 MET 21 OK 98 98 100 99 3.5-4.8 959/3.0=76, 769/5.1=53...(19) HA ARG 19 + HB3 MET 21 OK 41 70 95 62 4.8-6.8 786/4.6=35, 6319/4.0=28...(5) HA ARG 19 - HG3 MET 21 far 3 65 5 - 5.5-7.8 Violated in 0 structures by 0.00 A. Peak 969 from cnoeabs.peaks (7.68, 2.40, 32.03 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * H MET 21 + HB3 MET 21 OK 100 100 100 100 2.1-3.2 4.0=100 H MET 21 + HG3 MET 21 OK 98 98 100 100 3.0-4.5 6333/3.0=76, 977/1.8=75...(21) H ALA 25 - HG3 MET 21 far 4 80 5 - 4.8-7.3 H ALA 25 - HB3 MET 21 far 0 84 0 - 5.8-6.6 H GLU 98 - HG3 MET 21 far 0 75 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 970 from cnoeabs.peaks (4.41, 2.40, 32.03 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HA MET 21 + HB3 MET 21 OK 100 100 100 100 2.2-3.0 3.0=100 HA MET 21 + HG3 MET 21 OK 98 98 100 100 2.4-4.0 3.9=100 HA ALA 25 - HG3 MET 21 far 0 98 0 - 6.7-9.1 HA ALA 25 - HB3 MET 21 far 0 100 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 971 from cnoeabs.peaks (2.05, 2.40, 32.03 ppm; 3.28 A): 3 out of 11 assignments used, quality = 1.00: * HB2 MET 21 + HB3 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 21 + HG3 MET 21 OK 98 98 100 100 2.4-3.0 3.0=100 HG12 ILE 93 + HB3 MET 21 OK 27 98 30 92 4.3-6.5 ~4166=20, 3.2/10013=18...(27) HG12 ILE 93 - HG3 MET 21 far 14 94 15 - 4.2-7.6 HB3 LYS 94 - HG3 MET 21 far 0 76 0 - 5.2-8.1 HB3 LYS 94 - HB3 MET 21 far 0 81 0 - 5.8-8.5 HB2 GLU 23 - HB3 MET 21 far 0 65 0 - 6.7-9.3 HB2 GLU 23 - HG3 MET 21 far 0 62 0 - 7.7-9.8 HB2 GLU 16 - HB3 MET 21 far 0 85 0 - 8.1-10.1 HB2 GLU 16 - HG3 MET 21 far 0 81 0 - 8.1-11.1 HB3 GLU 88 - HG3 MET 21 far 0 78 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 972 from cnoeabs.peaks (2.40, 2.40, 32.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 21 + HB3 MET 21 OK 100 100 - 100 HG3 MET 21 + HG3 MET 21 OK 98 98 - 100 Peak 973 from cnoeabs.peaks (2.94, 2.40, 32.03 ppm; 2.86 A): 2 out of 16 assignments used, quality = 1.00: HG2 MET 21 + HG3 MET 21 OK 98 98 100 100 1.8-1.8 1.8=100 * HG2 MET 21 + HB3 MET 21 OK 97 100 100 97 2.4-2.5 3.0=86, 977/4.0=21...(21) HE3 LYS 90 - HG3 MET 21 far 5 98 5 - 4.0-8.5 HE3 LYS 94 - HG3 MET 21 far 4 75 5 - 3.7-7.8 HE2 LYS 94 - HG3 MET 21 far 0 88 0 - 4.8-7.6 HE3 LYS 24 - HG3 MET 21 far 0 85 0 - 5.0-11.0 HE2 LYS 20 - HG3 MET 21 far 0 76 0 - 5.1-9.0 HE2 LYS 94 - HB3 MET 21 far 0 92 0 - 5.1-8.7 HE2 LYS 24 - HG3 MET 21 far 0 85 0 - 5.2-9.9 HE3 LYS 90 - HB3 MET 21 far 0 100 0 - 5.4-7.8 HE3 LYS 94 - HB3 MET 21 far 0 79 0 - 5.7-8.8 HE2 LYS 20 - HB3 MET 21 far 0 81 0 - 5.9-7.5 HE3 LYS 20 - HG3 MET 21 far 0 78 0 - 5.9-9.3 HE3 LYS 20 - HB3 MET 21 far 0 82 0 - 6.2-7.6 HE3 LYS 24 - HB3 MET 21 far 0 90 0 - 6.2-10.5 HE2 LYS 24 - HB3 MET 21 far 0 90 0 - 6.4-10.7 Violated in 0 structures by 0.00 A. Peak 974 from cnoeabs.peaks (2.40, 2.40, 32.03 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 MET 21 + HB3 MET 21 OK 100 100 - 100 HG3 MET 21 + HG3 MET 21 OK 98 98 - 100 Reference assignment not found: HG3 MET 21 - HB3 MET 21 Peak 975 from cnoeabs.peaks (2.10, 2.40, 32.03 ppm; 3.44 A): 2 out of 11 assignments used, quality = 1.00: * QE MET 21 + HB3 MET 21 OK 99 100 100 99 1.7-3.3 995/1.8=61, 4.3=52...(16) QE MET 21 + HG3 MET 21 OK 98 98 100 100 2.8-3.4 3.4=100 HB2 GLU 23 - HB3 MET 21 far 0 98 0 - 6.7-9.3 HB3 PRO 86 - HG3 MET 21 far 0 97 0 - 7.0-9.7 HB3 PRO 86 - HB3 MET 21 far 0 100 0 - 7.3-8.5 HB2 GLU 23 - HG3 MET 21 far 0 95 0 - 7.7-9.8 HB2 PRO 86 - HG3 MET 21 far 0 87 0 - 8.1-10.6 HB2 GLU 16 - HB3 MET 21 far 0 88 0 - 8.1-10.1 HB2 GLU 16 - HG3 MET 21 far 0 84 0 - 8.1-11.1 HB2 PRO 86 - HB3 MET 21 far 0 91 0 - 8.1-9.2 HB3 GLU 88 - HG3 MET 21 far 0 87 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 976 from cnoeabs.peaks (8.81, 2.40, 32.03 ppm; 5.15 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 22 + HB3 MET 21 OK 100 100 100 100 2.6-4.2 4.6=100 H ALA 22 + HG3 MET 21 OK 98 98 100 100 2.5-5.0 6349/1.8=88, 6351/3.4=86...(22) Violated in 0 structures by 0.00 A. Peak 977 from cnoeabs.peaks (7.68, 2.94, 31.91 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H MET 21 + HG2 MET 21 OK 100 100 100 100 3.9-4.4 6333/3.0=77, 6337/3.4=66...(21) H ALA 25 - HG2 MET 21 far 8 84 10 - 5.0-7.7 H GLU 98 - HG2 MET 21 far 0 79 0 - 8.9-10.8 Violated in 12 structures by 0.08 A. Peak 978 from cnoeabs.peaks (4.41, 2.94, 31.91 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 21 + HG2 MET 21 OK 100 100 100 100 3.5-4.1 3.9=100 HA ALA 25 - HG2 MET 21 far 0 100 0 - 6.7-9.3 Violated in 1 structures by 0.00 A. Peak 979 from cnoeabs.peaks (2.05, 2.94, 31.91 ppm; 3.30 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 21 + HG2 MET 21 OK 100 100 100 100 2.3-3.0 3.0=100 HG12 ILE 93 - HG2 MET 21 far 15 98 15 - 3.9-6.3 HB3 LYS 94 - HG2 MET 21 far 0 81 0 - 5.1-7.2 HB2 GLU 23 - HG2 MET 21 far 0 65 0 - 8.1-10.3 HB2 GLU 16 - HG2 MET 21 far 0 85 0 - 9.0-11.0 HB3 GLU 88 - HG2 MET 21 far 0 82 0 - 9.5-11.0 HG2 GLU 28 - HG2 MET 21 far 0 98 0 - 9.6-15.1 HG3 GLU 28 - HG2 MET 21 far 0 98 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 980 from cnoeabs.peaks (2.40, 2.94, 31.91 ppm; 2.89 A): 2 out of 3 assignments used, quality = 1.00: HG3 MET 21 + HG2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 * HB3 MET 21 + HG2 MET 21 OK 98 100 100 98 2.4-2.5 3.0=89, 4.0/977=22...(21) HG3 GLU 17 - HG2 MET 21 far 0 77 0 - 6.9-10.1 Violated in 0 structures by 0.00 A. Peak 981 from cnoeabs.peaks (2.94, 2.94, 31.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 21 + HG2 MET 21 OK 100 100 - 100 Peak 982 from cnoeabs.peaks (2.40, 2.94, 31.91 ppm; 2.89 A): 2 out of 3 assignments used, quality = 1.00: * HG3 MET 21 + HG2 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 21 + HG2 MET 21 OK 98 100 100 98 2.4-2.5 3.0=89, 4.0/977=22...(21) HG3 GLU 17 - HG2 MET 21 far 0 79 0 - 6.9-10.1 Violated in 0 structures by 0.00 A. Peak 983 from cnoeabs.peaks (2.10, 2.94, 31.91 ppm; 3.48 A): 1 out of 9 assignments used, quality = 1.00: * QE MET 21 + HG2 MET 21 OK 100 100 100 100 2.7-3.3 3.4=100 HB3 PRO 86 - HG2 MET 21 far 0 100 0 - 6.7-9.4 HB2 PRO 86 - HG2 MET 21 far 0 91 0 - 7.8-10.4 HB2 GLU 23 - HG2 MET 21 far 0 98 0 - 8.1-10.3 HB2 GLU 16 - HG2 MET 21 far 0 88 0 - 9.0-11.0 HG3 GLU 104 - HG2 MET 21 far 0 100 0 - 9.1-21.6 HB3 GLU 88 - HG2 MET 21 far 0 91 0 - 9.5-11.0 HG2 GLU 28 - HG2 MET 21 far 0 68 0 - 9.6-15.1 HG3 GLU 28 - HG2 MET 21 far 0 68 0 - 10.0-14.6 Violated in 0 structures by 0.00 A. Peak 984 from cnoeabs.peaks (8.81, 2.94, 31.91 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + HG2 MET 21 OK 100 100 100 100 2.2-5.0 6349=100, 6351/3.4=85...(22) Violated in 0 structures by 0.00 A. Peak 985 from cnoeabs.peaks (7.68, 2.40, 31.91 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * H MET 21 + HG3 MET 21 OK 100 100 100 100 3.0-4.5 6333/3.0=76, 977/1.8=75...(21) H MET 21 + HB3 MET 21 OK 98 98 100 100 2.1-3.2 4.0=100 H ALA 25 - HG3 MET 21 far 4 84 5 - 4.8-7.3 H ALA 25 - HB3 MET 21 far 0 80 0 - 5.8-6.6 H GLU 98 - HG3 MET 21 far 0 79 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 986 from cnoeabs.peaks (4.41, 2.40, 31.91 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: * HA MET 21 + HG3 MET 21 OK 100 100 100 100 2.4-4.0 3.9=100 HA MET 21 + HB3 MET 21 OK 98 98 100 100 2.2-3.0 3.0=100 HA ALA 25 - HG3 MET 21 far 0 100 0 - 6.7-9.1 HA ALA 25 - HB3 MET 21 far 0 98 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 987 from cnoeabs.peaks (2.05, 2.40, 31.91 ppm; 3.28 A): 3 out of 11 assignments used, quality = 1.00: * HB2 MET 21 + HG3 MET 21 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 MET 21 + HB3 MET 21 OK 98 98 100 100 1.8-1.8 1.8=100 HG12 ILE 93 + HB3 MET 21 OK 26 94 30 92 4.3-6.5 ~4166=20, 3.2/10013=18...(26) HG12 ILE 93 - HG3 MET 21 far 15 98 15 - 4.2-7.6 HB3 LYS 94 - HG3 MET 21 far 0 81 0 - 5.2-8.1 HB3 LYS 94 - HB3 MET 21 far 0 76 0 - 5.8-8.5 HB2 GLU 23 - HB3 MET 21 far 0 62 0 - 6.7-9.3 HB2 GLU 23 - HG3 MET 21 far 0 65 0 - 7.7-9.8 HB2 GLU 16 - HB3 MET 21 far 0 81 0 - 8.1-10.1 HB2 GLU 16 - HG3 MET 21 far 0 85 0 - 8.1-11.1 HB3 GLU 88 - HG3 MET 21 far 0 82 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 988 from cnoeabs.peaks (2.40, 2.40, 31.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 MET 21 + HG3 MET 21 OK 100 100 - 100 HB3 MET 21 + HB3 MET 21 OK 98 98 - 100 Reference assignment not found: HB3 MET 21 - HG3 MET 21 Peak 989 from cnoeabs.peaks (2.94, 2.40, 31.91 ppm; 2.86 A): 2 out of 16 assignments used, quality = 1.00: * HG2 MET 21 + HG3 MET 21 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 21 + HB3 MET 21 OK 95 98 100 97 2.4-2.5 3.0=86, 977/4.0=21...(21) HE3 LYS 90 - HG3 MET 21 far 5 100 5 - 4.0-8.5 HE3 LYS 94 - HG3 MET 21 far 4 79 5 - 3.7-7.8 HE2 LYS 94 - HG3 MET 21 far 0 92 0 - 4.8-7.6 HE3 LYS 24 - HG3 MET 21 far 0 90 0 - 5.0-11.0 HE2 LYS 20 - HG3 MET 21 far 0 81 0 - 5.1-9.0 HE2 LYS 94 - HB3 MET 21 far 0 88 0 - 5.1-8.7 HE2 LYS 24 - HG3 MET 21 far 0 90 0 - 5.2-9.9 HE3 LYS 90 - HB3 MET 21 far 0 98 0 - 5.4-7.8 HE3 LYS 94 - HB3 MET 21 far 0 75 0 - 5.7-8.8 HE2 LYS 20 - HB3 MET 21 far 0 76 0 - 5.9-7.5 HE3 LYS 20 - HG3 MET 21 far 0 82 0 - 5.9-9.3 HE3 LYS 20 - HB3 MET 21 far 0 78 0 - 6.2-7.6 HE3 LYS 24 - HB3 MET 21 far 0 85 0 - 6.2-10.5 HE2 LYS 24 - HB3 MET 21 far 0 85 0 - 6.4-10.7 Violated in 0 structures by 0.00 A. Peak 990 from cnoeabs.peaks (2.40, 2.40, 31.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 MET 21 + HG3 MET 21 OK 100 100 - 100 HB3 MET 21 + HB3 MET 21 OK 98 98 - 100 Peak 991 from cnoeabs.peaks (2.10, 2.40, 31.91 ppm; 3.44 A): 2 out of 11 assignments used, quality = 1.00: * QE MET 21 + HG3 MET 21 OK 100 100 100 100 2.8-3.4 3.4=100 QE MET 21 + HB3 MET 21 OK 97 98 100 99 1.7-3.3 995/1.8=61, 4.3=52...(16) HB2 GLU 23 - HB3 MET 21 far 0 95 0 - 6.7-9.3 HB3 PRO 86 - HG3 MET 21 far 0 100 0 - 7.0-9.7 HB3 PRO 86 - HB3 MET 21 far 0 97 0 - 7.3-8.5 HB2 GLU 23 - HG3 MET 21 far 0 98 0 - 7.7-9.8 HB2 PRO 86 - HG3 MET 21 far 0 91 0 - 8.1-10.6 HB2 GLU 16 - HB3 MET 21 far 0 84 0 - 8.1-10.1 HB2 GLU 16 - HG3 MET 21 far 0 88 0 - 8.1-11.1 HB2 PRO 86 - HB3 MET 21 far 0 87 0 - 8.1-9.2 HB3 GLU 88 - HG3 MET 21 far 0 91 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 992 from cnoeabs.peaks (8.81, 2.40, 31.91 ppm; 5.15 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 22 + HG3 MET 21 OK 100 100 100 100 2.5-5.0 6349/1.8=88, 6351/3.4=86...(22) H ALA 22 + HB3 MET 21 OK 98 98 100 100 2.6-4.2 4.6=100 Violated in 0 structures by 0.00 A. Peak 993 from cnoeabs.peaks (7.68, 2.10, 17.93 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * H MET 21 + QE MET 21 OK 100 100 100 100 4.0-4.4 6337=100, 3.0/954=66...(18) H ALA 25 + QE MET 21 OK 83 84 100 99 3.4-4.3 2.9/8624=60, 3.6/8540=46...(21) H GLU 98 - QE MET 21 far 4 79 5 - 5.3-7.5 Violated in 0 structures by 0.00 A. Peak 994 from cnoeabs.peaks (4.41, 2.10, 17.93 ppm; 3.77 A): 2 out of 2 assignments used, quality = 1.00: * HA MET 21 + QE MET 21 OK 100 100 100 100 1.8-3.1 954=100, 3.0/6337=64...(32) HA ALA 25 + QE MET 21 OK 91 100 100 91 4.1-5.1 2.1/8624=61, 4.8/8540=29...(15) Violated in 0 structures by 0.00 A. Peak 995 from cnoeabs.peaks (2.05, 2.10, 17.93 ppm; 2.40 A): 2 out of 12 assignments used, quality = 0.93: * HB2 MET 21 + QE MET 21 OK 86 100 100 86 1.8-3.1 966=37, 3.0/954=21...(18) HB3 LYS 94 + QE MET 21 OK 49 81 95 64 2.7-4.1 966=17, 2.9/8551=13...(14) HG12 ILE 93 - QE MET 21 far 0 98 0 - 4.2-6.3 HB2 GLU 23 - QE MET 21 far 0 65 0 - 6.6-8.0 HB2 GLU 98 - QE MET 21 far 0 100 0 - 6.9-9.0 HB3 GLU 98 - QE MET 21 far 0 100 0 - 7.6-9.6 HB2 GLU 99 - QE MET 21 far 0 100 0 - 8.4-10.8 HB3 GLU 99 - QE MET 21 far 0 98 0 - 9.0-12.0 HG3 GLU 28 - QE MET 21 far 0 98 0 - 9.3-11.2 HB3 GLU 88 - QE MET 21 far 0 82 0 - 9.5-10.2 HG2 GLU 28 - QE MET 21 far 0 98 0 - 9.7-11.9 HB2 GLU 16 - QE MET 21 far 0 85 0 - 9.8-10.9 Violated in 1 structures by 0.03 A. Peak 996 from cnoeabs.peaks (2.40, 2.10, 17.93 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: HG3 MET 21 + QE MET 21 OK 100 100 100 100 2.8-3.4 3.4=100 * HB3 MET 21 + QE MET 21 OK 99 100 100 99 1.7-3.3 1.8/995=62, 4.3=58...(16) HG3 GLU 99 - QE MET 21 far 0 59 0 - 8.4-10.8 HG3 GLU 17 - QE MET 21 far 0 77 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 997 from cnoeabs.peaks (2.94, 2.10, 17.93 ppm; 3.26 A): 3 out of 8 assignments used, quality = 1.00: * HG2 MET 21 + QE MET 21 OK 100 100 100 100 2.7-3.3 3.4=91, 3.0/995=42...(27) HE2 LYS 94 + QE MET 21 OK 66 92 95 75 1.9-4.8 3.0/12251=20...(13) HE3 LYS 94 + QE MET 21 OK 52 79 90 73 2.6-5.0 3.0/12251=20...(11) HE3 LYS 24 - QE MET 21 poor 18 90 20 - 2.7-7.6 HE2 LYS 24 - QE MET 21 poor 14 90 25 61 3.4-7.8 3.0/10444=26...(7) HE3 LYS 90 - QE MET 21 far 0 100 0 - 5.8-7.8 HE2 LYS 20 - QE MET 21 far 0 81 0 - 5.9-8.8 HE3 LYS 20 - QE MET 21 far 0 82 0 - 6.6-9.0 Violated in 0 structures by 0.00 A. Peak 998 from cnoeabs.peaks (2.40, 2.10, 17.93 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: * HG3 MET 21 + QE MET 21 OK 100 100 100 100 2.8-3.4 3.4=100 HB3 MET 21 + QE MET 21 OK 99 100 100 99 1.7-3.3 1.8/995=62, 4.3=58...(16) HG3 GLU 99 - QE MET 21 far 0 61 0 - 8.4-10.8 HG3 GLU 17 - QE MET 21 far 0 79 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 999 from cnoeabs.peaks (2.10, 2.10, 17.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 21 + QE MET 21 OK 100 100 - 100 Peak 1000 from cnoeabs.peaks (8.81, 2.10, 17.93 ppm; 5.54 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 22 + QE MET 21 OK 100 100 100 100 3.2-4.4 6351=100, 6345/6337=97...(21) Violated in 0 structures by 0.00 A. Peak 1001 from cnoeabs.peaks (8.81, 3.83, 55.43 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 22 + HA ALA 22 OK 100 100 100 100 2.8-2.9 3.0=100 H ILE 8 - HA ALA 67 far 0 57 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 1002 from cnoeabs.peaks (3.83, 3.83, 55.43 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ALA 22 + HA ALA 22 OK 100 100 - 100 HA ALA 71 + HA ALA 71 OK 51 51 - 100 HA ALA 67 + HA ALA 67 OK 47 47 - 100 Peak 1003 from cnoeabs.peaks (1.44, 3.83, 55.43 ppm; 2.78 A): 3 out of 14 assignments used, quality = 1.00: * QB ALA 22 + HA ALA 22 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 27 + HA ALA 22 OK 79 90 100 88 2.5-3.3 8636=24, 4.0/8638=21...(25) QB ALA 71 + HA ALA 71 OK 45 45 100 100 2.1-2.1 2.1=100 HB2 LEU 38 - HA ALA 67 poor 15 55 90 31 2.8-4.5 ~9526=4, ~2983=4...(15) HG LEU 38 - HA ALA 67 poor 15 50 95 32 1.8-5.1 ~9526=7, 2.1/9524=4...(13) QB ALA 71 - HA ALA 67 poor 10 49 20 - 4.0-5.3 HG13 ILE 76 - HA ALA 71 far 0 61 0 - 4.9-6.1 HG3 LYS 39 - HA ALA 67 far 0 64 0 - 5.3-8.9 HG3 LYS 39 - HA ALA 71 far 0 60 0 - 5.5-8.5 HG LEU 29 - HA ALA 22 far 0 100 0 - 5.8-8.0 HB2 LEU 38 - HA ALA 71 far 0 51 0 - 5.9-9.0 HG LEU 38 - HA ALA 71 far 0 46 0 - 6.1-8.7 HG2 LYS 20 - HA ALA 22 far 0 90 0 - 7.4-8.7 HG13 ILE 52 - HA ALA 71 far 0 49 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 1004 from cnoeabs.peaks (8.28, 3.83, 55.43 ppm; 3.56 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 23 + HA ALA 22 OK 100 100 100 100 3.5-3.6 3.6=99, 6354/3.0=60...(21) H LEU 27 + HA ALA 22 OK 64 68 100 95 3.5-4.1 8638=43, 4.0/8636=34...(17) H ALA 71 + HA ALA 71 OK 54 54 100 100 2.7-2.7 3.0=100 H ALA 71 + HA ALA 67 OK 48 58 100 82 3.5-4.4 7164=32, 10805/7121=24...(13) H LYS 94 - HA ALA 22 far 0 98 0 - 5.5-7.2 H PHE 45 - HA ALA 71 far 0 54 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 1005 from cnoeabs.peaks (7.71, 3.83, 55.43 ppm; 4.11 A): 3 out of 6 assignments used, quality = 1.00: * H ALA 25 + HA ALA 22 OK 100 100 100 100 3.1-3.6 6394=100, 10489/8638=47...(19) H MET 21 + HA ALA 22 OK 80 84 100 95 5.3-5.5 6345/3.0=66, 6339/3.6=34...(15) H MET 74 + HA ALA 71 OK 31 33 100 94 3.3-3.7 4.8/9613=31, 4.7/9579=30...(20) H LEU 64 - HA ALA 67 far 0 64 0 - 7.5-8.2 H GLU 37 - HA ALA 67 far 0 42 0 - 7.7-8.8 H MET 74 - HA ALA 67 far 0 36 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 1006 from cnoeabs.peaks (1.34, 3.83, 55.43 ppm; 3.11 A): 6 out of 15 assignments used, quality = 1.00: * QB ALA 25 + HA ALA 22 OK 94 100 100 94 2.3-3.3 6408/6394=38, 1154=36...(20) HB3 LEU 27 + HA ALA 22 OK 85 100 90 94 4.1-4.7 1.8/8636=38, 1198/2.1=30...(19) QB ALA 67 + HA ALA 67 OK 65 65 100 100 2.1-2.1 2.1=100 HB2 LEU 70 + HA ALA 71 OK 35 40 100 88 3.8-4.2 7159/3.0=35, ~3149=23...(18) HB2 LEU 70 + HA ALA 67 OK 29 43 100 67 2.6-3.3 1.8/3141=17...(15) HB3 LEU 42 + HA ALA 71 OK 20 33 100 61 3.2-4.5 ~10414=12, ~10835=12...(18) HG2 LYS 39 - HA ALA 71 far 0 60 0 - 5.3-8.8 QB ALA 67 - HA ALA 71 far 0 61 0 - 5.4-6.5 HG3 LYS 68 - HA ALA 67 far 0 63 0 - 6.4-7.6 HG12 ILE 8 - HA ALA 67 far 0 50 0 - 6.5-8.5 HB3 LEU 42 - HA ALA 67 far 0 36 0 - 6.6-8.2 HG2 LYS 39 - HA ALA 67 far 0 64 0 - 6.7-8.2 HG3 LYS 68 - HA ALA 71 far 0 58 0 - 7.4-9.8 QB ALA 89 - HA ALA 22 far 0 100 0 - 7.8-8.6 HG2 LYS 94 - HA ALA 22 far 0 100 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 1007 from cnoeabs.peaks (3.81, 1.44, 18.06 ppm; 3.00 A): 2 out of 4 assignments used, quality = 0.99: HA ALA 22 + QB ALA 22 OK 95 95 100 100 2.1-2.1 2.1=100 * HA ARG 19 + QB ALA 22 OK 90 100 100 90 2.9-3.6 787=36, 786/2.9=29...(23) HA ALA 18 - QB ALA 22 far 7 70 10 - 4.5-5.5 HA SER 97 - QB ALA 22 far 0 100 0 - 6.4-7.6 Violated in 0 structures by 0.00 A. Peak 1008 from cnoeabs.peaks (8.81, 1.44, 18.06 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 22 + QB ALA 22 OK 100 100 100 100 2.1-2.2 2.9=100 H ILE 8 - QB ALA 22 far 0 94 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 1009 from cnoeabs.peaks (3.83, 1.44, 18.06 ppm; 3.00 A): 2 out of 5 assignments used, quality = 1.00: * HA ALA 22 + QB ALA 22 OK 100 100 100 100 2.1-2.1 2.1=100 HA ARG 19 + QB ALA 22 OK 84 95 100 89 2.9-3.6 787=34, 786/2.9=27...(23) HA LYS 94 - QB ALA 22 far 0 59 0 - 5.6-7.3 HA SER 97 - QB ALA 22 far 0 99 0 - 6.4-7.6 HA2 GLY 100 - QB ALA 22 far 0 59 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 1010 from cnoeabs.peaks (1.44, 1.44, 18.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 22 + QB ALA 22 OK 100 100 - 100 Peak 1011 from cnoeabs.peaks (8.28, 1.44, 18.06 ppm; 3.54 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 23 + QB ALA 22 OK 100 100 100 100 2.4-3.0 3.6=95, 6354/2.9=60...(29) H LEU 27 + QB ALA 22 OK 61 68 100 90 3.2-4.1 8638/2.1=33, 6440=23...(16) H LYS 94 - QB ALA 22 far 0 98 0 - 5.5-7.3 Violated in 0 structures by 0.00 A. Peak 1012 from cnoeabs.peaks (8.28, 4.15, 59.00 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 23 + HA GLU 23 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 27 + HA GLU 23 OK 56 68 100 83 2.7-3.7 8637=39, 3.6/10478=21...(10) Violated in 0 structures by 0.00 A. Peak 1013 from cnoeabs.peaks (4.15, 4.15, 59.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 23 + HA GLU 23 OK 100 100 - 100 Peak 1014 from cnoeabs.peaks (2.09, 4.15, 59.00 ppm; 3.13 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 23 + HA GLU 23 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 28 - HA GLU 23 far 9 88 10 - 4.2-6.6 HG2 GLU 28 - HA GLU 23 far 4 88 5 - 4.2-7.3 QE MET 21 - HA GLU 23 far 0 98 0 - 6.4-7.3 HB2 MET 21 - HA GLU 23 far 0 65 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 1015 from cnoeabs.peaks (2.15, 4.15, 59.00 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 23 + HA GLU 23 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1016 from cnoeabs.peaks (2.27, 4.15, 59.00 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.99: * HG2 GLU 23 + HA GLU 23 OK 99 100 100 99 2.3-3.6 1.8/1043=60, 4.2=54...(16) Violated in 2 structures by 0.02 A. Peak 1017 from cnoeabs.peaks (2.49, 4.15, 59.00 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 23 + HA GLU 23 OK 100 100 100 100 2.9-3.9 1043=90, 1.8/1016=85...(23) HB3 TYR 4 - HA GLU 23 far 0 73 0 - 9.0-10.3 Violated in 1 structures by 0.00 A. Peak 1018 from cnoeabs.peaks (7.57, 4.15, 59.00 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 24 + HA GLU 23 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1019 from cnoeabs.peaks (4.05, 2.09, 29.16 ppm; 3.18 A): 3 out of 11 assignments used, quality = 1.00: HA GLU 16 + HB2 GLU 16 OK 95 95 100 100 2.5-3.0 3.0=100 * HA LYS 20 + HB2 GLU 23 OK 88 100 100 88 2.5-4.5 856=52, 6358/6365=33...(7) HA GLU 17 + HB2 GLU 16 OK 80 96 95 87 4.1-5.3 2.9/6250=48, ~710=19...(16) HA LYS 66 - HB3 GLU 35 poor 14 68 20 - 4.3-6.6 HA LEU 70 - HB3 GLU 35 far 0 58 0 - 5.3-8.3 HA LYS 20 - HB2 GLU 16 far 0 96 0 - 6.8-8.5 HA ARG 46 - HB3 GLU 43 far 0 62 0 - 7.0-7.9 HA PRO 86 - HB2 GLU 16 far 0 55 0 - 7.4-9.5 HA GLU 16 - HB2 GLU 23 far 0 100 0 - 8.3-10.6 HA GLU 17 - HB2 GLU 23 far 0 100 0 - 8.5-10.5 HA LEU 70 - HB3 GLU 43 far 0 49 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 1020 from cnoeabs.peaks (8.28, 2.09, 29.16 ppm; 3.43 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 23 + HB2 GLU 23 OK 100 100 100 100 2.4-3.6 6365=100, 6366/1.8=77...(14) H PHE 45 + HB3 GLU 43 OK 30 69 60 73 4.8-5.3 6715/6707=41...(7) H LEU 27 - HB2 GLU 23 far 0 68 0 - 5.1-6.1 H ALA 71 - HB3 GLU 35 far 0 80 0 - 6.9-9.4 H GLU 23 - HB2 GLU 16 far 0 96 0 - 9.5-11.0 H ALA 71 - HB3 GLU 43 far 0 69 0 - 9.8-11.2 Violated in 19 structures by 0.06 A. Peak 1021 from cnoeabs.peaks (4.15, 2.09, 29.16 ppm; 3.04 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 23 + HB2 GLU 23 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 13 + HB2 GLU 16 OK 40 95 50 85 3.1-5.1 493=58, 492/6237=34...(6) HA LYS 47 - HB3 GLU 43 far 0 76 0 - 7.3-9.0 HA GLU 62 - HB3 GLU 35 far 0 69 0 - 8.1-11.6 Violated in 0 structures by 0.00 A. Peak 1022 from cnoeabs.peaks (2.09, 2.09, 29.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLU 23 + HB2 GLU 23 OK 100 100 - 100 HB2 GLU 16 + HB2 GLU 16 OK 93 93 - 100 HB3 GLU 35 + HB3 GLU 35 OK 87 87 - 100 HB3 GLU 43 + HB3 GLU 43 OK 62 62 - 100 Peak 1023 from cnoeabs.peaks (2.15, 2.09, 29.16 ppm; 2.40 A): 3 out of 14 assignments used, quality = 1.00: * HB3 GLU 23 + HB2 GLU 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 16 + HB2 GLU 16 OK 93 93 100 100 1.8-1.8 1.8=100 HG2 GLU 43 + HB3 GLU 43 OK 32 44 100 73 2.2-2.7 3.0=51, 1.8/713=12...(13) HG2 GLU 44 - HB3 GLU 43 poor 8 66 60 20 3.2-6.5 6713/4.4=12, 4535/4.0=4...(4) HB2 GLU 69 - HB3 GLU 35 far 0 66 0 - 5.5-8.4 HB2 PRO 86 - HB2 GLU 16 far 0 63 0 - 6.1-8.4 HG2 GLU 69 - HB3 GLU 35 far 0 66 0 - 6.5-9.6 HB3 GLU 69 - HB3 GLU 35 far 0 66 0 - 6.7-9.2 HB3 GLU 37 - HB3 GLU 35 far 0 65 0 - 7.1-9.1 HB3 GLU 37 - HB3 GLU 43 far 0 54 0 - 8.7-11.0 HB3 GLU 23 - HB2 GLU 16 far 0 96 0 - 9.2-11.9 HB3 GLU 16 - HB2 GLU 23 far 0 98 0 - 9.2-12.6 HG2 GLU 43 - HB3 GLU 35 far 0 53 0 - 9.7-12.3 HB2 GLU 75 - HB3 GLU 43 far 0 67 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 1024 from cnoeabs.peaks (2.27, 2.09, 29.16 ppm; 2.76 A): 2 out of 8 assignments used, quality = 0.99: * HG2 GLU 23 + HB2 GLU 23 OK 98 100 100 98 2.4-2.9 2.9=87, 1016/3.0=34...(18) HG3 GLU 16 + HB2 GLU 16 OK 72 74 100 97 2.2-2.8 3.0=77, 1.8/713=27...(23) HG2 GLU 17 - HB2 GLU 16 poor 15 77 20 - 3.1-6.2 HG3 GLU 62 - HB3 GLU 35 far 0 87 0 - 5.8-10.7 HG2 GLU 37 - HB3 GLU 35 far 0 84 0 - 6.5-9.1 HG2 GLU 62 - HB3 GLU 35 far 0 87 0 - 6.5-12.4 HG2 GLU 63 - HB3 GLU 35 far 0 69 0 - 7.8-11.7 HB3 GLN 72 - HB3 GLU 35 far 0 53 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 1025 from cnoeabs.peaks (2.49, 2.09, 29.16 ppm; 3.42 A): 1 out of 9 assignments used, quality = 1.00: * HG3 GLU 23 + HB2 GLU 23 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 MET 74 - HB3 GLU 43 far 0 41 0 - 5.2-9.0 HB2 ASP 36 - HB3 GLU 35 far 0 81 0 - 5.4-7.0 HB3 ASP 36 - HB3 GLU 35 far 0 80 0 - 5.4-7.4 HB3 ASP 36 - HB3 GLU 43 far 0 69 0 - 8.1-11.5 HG3 GLU 23 - HB2 GLU 16 far 0 96 0 - 8.5-10.2 HG3 GLU 63 - HB3 GLU 35 far 0 69 0 - 8.8-12.1 HG2 MET 74 - HB3 GLU 35 far 0 50 0 - 8.9-12.3 HB2 ASP 36 - HB3 GLU 43 far 0 70 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 1026 from cnoeabs.peaks (7.57, 2.09, 29.16 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 24 + HB2 GLU 23 OK 100 100 100 100 3.0-4.1 6377/3.0=62...(14) H GLU 44 + HB3 GLU 43 OK 53 54 100 98 2.4-3.4 4.4=64, 6706/1.8=59...(14) H LEU 14 - HB2 GLU 16 far 4 84 5 - 5.2-7.2 H ILE 76 - HB3 GLU 43 far 0 71 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 1027 from cnoeabs.peaks (4.05, 2.15, 29.16 ppm; 3.17 A): 7 out of 14 assignments used, quality = 1.00: HA GLU 16 + HB3 GLU 16 OK 94 94 100 100 2.2-3.0 3.0=100 * HA LYS 20 + HB3 GLU 23 OK 87 100 100 87 2.1-4.1 857=37, 856/1.8=36...(8) HA GLU 17 + HB3 GLU 16 OK 78 95 95 86 4.2-5.1 2.9/6251=31, ~6250=26...(15) HA GLU 95 + HB3 GLU 95 OK 45 45 100 100 2.4-2.7 3.0=100 HA LYS 66 + HB2 GLU 69 OK 32 45 100 71 3.0-4.3 7119/4.0=25, 2883=23...(13) HA LEU 70 + HB2 GLU 69 OK 31 38 95 85 4.0-5.5 ~3109=13, ~3101=13...(22) HA LEU 70 + HB3 GLU 69 OK 27 38 85 85 4.0-4.8 ~3109=13, ~3101=13...(22) HA LYS 66 - HB3 GLU 69 far 5 45 10 - 2.8-5.8 HB2 SER 49 - HB3 GLN 50 far 0 66 0 - 5.0-6.8 HA ARG 46 - HB3 GLN 50 far 0 54 0 - 6.6-9.7 HA LYS 20 - HB3 GLU 16 far 0 95 0 - 6.8-8.7 HA PRO 86 - HB3 GLU 16 far 0 54 0 - 6.8-9.7 HA GLU 17 - HB3 GLU 23 far 0 100 0 - 7.7-10.2 HA GLU 16 - HB3 GLU 23 far 0 100 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 1028 from cnoeabs.peaks (8.28, 2.15, 29.16 ppm; 3.40 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 23 + HB3 GLU 23 OK 100 100 100 100 2.2-3.6 6366=100, 6365/1.8=72...(13) H LEU 103 - HB3 GLU 95 far 6 63 10 - 3.8-11.0 H ALA 71 - HB2 GLU 69 far 6 55 10 - 4.9-5.9 H ALA 71 - HB3 GLU 69 far 0 55 0 - 4.9-6.3 H LEU 27 - HB3 GLU 23 far 0 68 0 - 5.2-6.1 H LYS 94 - HB3 GLU 95 far 0 63 0 - 5.9-6.5 H GLU 23 - HB3 GLU 16 far 0 95 0 - 9.5-10.9 Violated in 1 structures by 0.01 A. Peak 1029 from cnoeabs.peaks (4.15, 2.15, 29.16 ppm; 3.26 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 23 + HB3 GLU 23 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 13 + HB3 GLU 16 OK 46 94 55 90 3.0-5.1 493/1.8=60, 492/6238=41...(8) HA GLU 104 - HB3 GLU 95 poor 14 56 25 - 3.2-11.8 HA MET 1 - HB3 GLN 50 far 0 64 0 - 5.1-9.5 HA GLU 99 - HB3 GLU 95 far 0 53 0 - 5.5-7.0 HA LYS 73 - HB3 GLU 69 far 0 46 0 - 6.5-8.6 HA GLN 72 - HB3 GLU 69 far 0 60 0 - 7.1-8.1 HA LYS 73 - HB2 GLU 69 far 0 46 0 - 7.4-9.0 HA GLN 72 - HB2 GLU 69 far 0 60 0 - 7.7-8.5 HA GLU 62 - HB2 GLU 69 far 0 46 0 - 7.8-9.6 HA LYS 47 - HB3 GLN 50 far 0 67 0 - 8.0-10.4 HA GLU 62 - HB3 GLU 69 far 0 46 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 1030 from cnoeabs.peaks (2.09, 2.15, 29.16 ppm; 2.40 A): 2 out of 25 assignments used, quality = 1.00: * HB2 GLU 23 + HB3 GLU 23 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 16 + HB3 GLU 16 OK 92 92 100 100 1.8-1.8 1.8=100 HB3 GLU 48 - HB3 GLN 50 poor 7 33 20 - 3.0-10.3 HG3 GLU 104 - HB3 GLU 95 far 0 63 0 - 4.4-12.5 HB3 GLU 35 - HB2 GLU 69 far 0 61 0 - 5.5-8.4 HB2 PRO 86 - HB3 GLU 16 far 0 64 0 - 5.5-8.8 HG2 GLU 28 - HB3 GLU 23 far 0 88 0 - 5.6-9.5 QE MET 21 - HB3 GLU 23 far 0 98 0 - 6.2-7.6 HB3 PRO 86 - HB3 GLU 16 far 0 86 0 - 6.2-9.3 HG3 GLU 28 - HB3 GLU 23 far 0 88 0 - 6.2-9.3 HB2 MET 21 - HB3 GLU 23 far 0 65 0 - 6.5-8.4 HB3 GLU 35 - HB3 GLU 69 far 0 61 0 - 6.7-9.2 HB3 LEU 38 - HB2 GLU 69 far 0 57 0 - 6.8-10.5 QE MET 21 - HB3 GLU 95 far 0 63 0 - 7.1-9.0 HB3 LEU 38 - HB3 GLU 69 far 0 57 0 - 8.4-11.0 HB2 LEU 64 - HB2 GLU 69 far 0 45 0 - 8.6-10.5 HB2 MET 21 - HB3 GLU 16 far 0 58 0 - 8.9-10.6 HB2 LEU 64 - HB3 GLU 69 far 0 45 0 - 8.9-11.5 HB3 GLU 62 - HB2 GLU 69 far 0 62 0 - 9.1-11.2 HB2 GLU 16 - HB3 GLU 23 far 0 99 0 - 9.2-11.9 HB2 GLU 23 - HB3 GLU 16 far 0 95 0 - 9.2-12.6 HB2 MET 74 - HB2 GLU 69 far 0 47 0 - 9.6-12.2 HB3 GLU 62 - HB3 GLU 69 far 0 62 0 - 9.7-12.4 QE MET 21 - HB3 GLU 16 far 0 91 0 - 9.8-10.6 HB2 MET 74 - HB3 GLU 69 far 0 47 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 1031 from cnoeabs.peaks (2.15, 2.15, 29.16 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 GLU 23 + HB3 GLU 23 OK 100 100 - 100 HB3 GLU 16 + HB3 GLU 16 OK 91 91 - 100 HB3 GLU 95 + HB3 GLU 95 OK 66 66 - 100 HB3 GLN 50 + HB3 GLN 50 OK 55 55 - 100 HB3 GLU 69 + HB3 GLU 69 OK 44 44 - 100 HB2 GLU 69 + HB2 GLU 69 OK 44 44 - 100 Peak 1032 from cnoeabs.peaks (2.27, 2.15, 29.16 ppm; 2.84 A): 3 out of 13 assignments used, quality = 1.00: * HG2 GLU 23 + HB3 GLU 23 OK 99 100 100 99 2.5-3.0 2.9=95, 1024/1.8=39...(17) HG3 GLU 16 + HB3 GLU 16 OK 72 72 100 99 2.2-3.0 3.0=84, 1024/1.8=29...(26) HG2 GLU 95 + HB3 GLU 95 OK 66 67 100 100 2.6-3.0 2.9=93, 4302/1.8=79...(11) HB2 GLU 48 - HB3 GLN 50 poor 16 47 35 - 3.4-10.8 HG2 GLU 17 - HB3 GLU 16 far 11 76 15 - 3.2-6.3 HB3 GLN 72 - HB3 GLU 69 far 3 35 10 - 4.2-6.7 HB3 GLN 72 - HB2 GLU 69 far 0 35 0 - 5.3-7.3 HG3 GLU 62 - HB3 GLU 69 far 0 61 0 - 7.8-12.3 HG3 GLU 62 - HB2 GLU 69 far 0 61 0 - 8.0-10.9 HD3 ARG 81 - HB3 GLU 95 far 0 34 0 - 8.4-12.1 HG2 GLU 23 - HB3 GLU 16 far 0 95 0 - 9.0-12.0 HG2 GLU 62 - HB3 GLU 69 far 0 61 0 - 9.1-13.2 HG2 GLU 62 - HB2 GLU 69 far 0 61 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 1033 from cnoeabs.peaks (2.49, 2.15, 29.16 ppm; 3.55 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 23 + HB3 GLU 23 OK 100 100 100 100 2.2-2.9 2.9=100 HG3 GLU 95 + HB3 GLU 95 OK 38 38 100 100 2.4-3.0 2.9=100 HG3 GLU 98 - HB3 GLU 95 far 0 59 0 - 5.4-6.8 HG2 MET 74 - HB2 GLU 69 far 0 32 0 - 7.7-12.3 HG2 MET 74 - HB3 GLU 69 far 0 32 0 - 7.8-11.2 HG3 GLU 23 - HB3 GLU 16 far 0 95 0 - 8.3-10.3 HD2 ARG 91 - HB3 GLU 95 far 0 66 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 1034 from cnoeabs.peaks (7.57, 2.15, 29.16 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 24 + HB3 GLU 23 OK 100 100 100 100 2.8-3.9 6377/3.0=68, 4.6=63...(10) H LEU 14 + HB3 GLU 16 OK 26 83 45 70 5.1-7.3 6204/6238=48, 3.6/494=24...(6) H ILE 76 - HB3 GLN 50 far 0 62 0 - 8.2-14.1 H ILE 76 - HB3 GLU 69 far 0 57 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 1035 from cnoeabs.peaks (8.28, 2.27, 36.23 ppm; 4.01 A): 3 out of 4 assignments used, quality = 1.00: * H GLU 23 + HG2 GLU 23 OK 100 100 100 100 2.7-4.0 6367=94, 1042/1.8=85...(13) H LYS 94 + HG2 GLU 95 OK 54 83 70 93 3.9-6.4 7528/7541=56...(8) H LEU 27 + HG2 GLU 23 OK 31 68 90 51 4.6-6.8 8637/1016=33...(4) H LEU 103 - HG2 GLU 95 far 0 83 0 - 5.6-13.9 Violated in 0 structures by 0.00 A. Peak 1036 from cnoeabs.peaks (4.15, 2.27, 36.23 ppm; 3.26 A): 4 out of 11 assignments used, quality = 1.00: * HA GLU 23 + HG2 GLU 23 OK 100 100 100 100 2.3-3.6 1016=89, 1043/1.8=56...(15) HA GLU 62 + HG2 GLU 62 OK 39 41 100 95 3.6-3.7 4.0=56, 2728/1.8=26...(21) HA GLU 62 + HG3 GLU 62 OK 39 41 100 95 2.8-3.9 4.0=56, 2728/1.8=26...(21) HA LYS 13 + HG3 GLU 16 OK 35 48 100 73 2.8-4.4 493/3.0=45, 492/6240=28...(7) HA LYS 13 - HG2 GLU 17 poor 12 53 50 44 4.1-5.7 3186/1.8=18...(7) HA GLU 104 - HG2 GLU 95 far 11 75 15 - 2.0-14.0 HA GLU 62 - HG2 GLU 63 far 0 42 0 - 4.9-5.2 HB2 SER 59 - HG2 GLU 63 far 0 53 0 - 5.4-7.3 HA GLU 99 - HG2 GLU 95 far 0 71 0 - 7.1-9.3 HB2 SER 59 - HG2 GLU 62 far 0 52 0 - 7.2-9.9 HB2 SER 59 - HG3 GLU 62 far 0 52 0 - 7.8-11.5 Violated in 0 structures by 0.00 A. Peak 1037 from cnoeabs.peaks (2.09, 2.27, 36.23 ppm; 2.60 A): 4 out of 35 assignments used, quality = 0.99: * HB2 GLU 23 + HG2 GLU 23 OK 94 100 100 94 2.4-2.9 2.9=73, 3.0/1016=30...(13) HB3 GLU 62 + HG2 GLU 62 OK 47 55 100 85 2.4-3.0 2.9=70, 7007/4.9=15...(9) HB3 GLU 62 + HG3 GLU 62 OK 47 55 100 85 2.3-3.0 2.9=70, 7007/4.9=15...(9) HB2 GLU 16 + HG3 GLU 16 OK 43 47 100 92 2.2-2.8 3.0=64, 700/1.8=28...(15) HB3 PRO 86 - HG2 GLU 17 poor 11 47 85 29 2.3-4.6 ~12333=8, 12333/1.8=5...(10) HG2 GLU 28 - HG2 GLU 23 far 9 88 10 - 2.9-8.3 HG3 GLU 28 - HG2 GLU 23 far 9 88 10 - 3.8-9.2 HG3 GLU 104 - HG2 GLU 95 far 8 83 10 - 3.5-14.8 HB2 GLU 16 - HG2 GLU 17 far 8 51 15 - 3.1-6.2 HB2 PRO 86 - HG2 GLU 17 poor 6 32 70 28 2.6-4.7 ~12333=7, 12333/1.8=6...(9) HB3 GLU 62 - HG2 GLU 63 far 3 56 5 - 3.5-5.4 HB2 LEU 64 - HG2 GLU 63 far 0 41 0 - 4.6-6.0 HB2 PRO 86 - HG3 GLU 16 far 0 29 0 - 5.8-8.7 HB3 GLU 35 - HG3 GLU 62 far 0 54 0 - 5.8-10.7 QE MET 21 - HG2 GLU 95 far 0 83 0 - 5.8-8.3 HB2 LEU 64 - HG2 GLU 62 far 0 40 0 - 5.9-7.1 HB3 PRO 86 - HG3 GLU 16 far 0 42 0 - 6.0-9.9 QE MET 21 - HG2 GLU 23 far 0 98 0 - 6.4-8.1 HB3 GLU 35 - HG2 GLU 62 far 0 54 0 - 6.5-12.4 HB2 LEU 64 - HG3 GLU 62 far 0 40 0 - 6.6-7.4 HB2 MET 21 - HG2 GLU 23 far 0 65 0 - 7.3-8.8 HB3 GLU 35 - HG2 GLU 63 far 0 56 0 - 7.8-11.7 QE MET 21 - HG2 GLU 17 far 0 51 0 - 8.0-9.8 HB2 MET 21 - HG2 GLU 95 far 0 51 0 - 8.0-11.8 HB2 MET 21 - HG2 GLU 17 far 0 29 0 - 8.0-9.6 HB3 LEU 38 - HG2 GLU 63 far 0 52 0 - 8.7-11.7 HB3 LEU 38 - HG2 GLU 62 far 0 50 0 - 8.9-12.4 HB3 LEU 38 - HG3 GLU 62 far 0 50 0 - 9.0-11.3 HB3 GLU 88 - HG2 GLU 95 far 0 85 0 - 9.3-11.9 HB3 GLU 88 - HG2 GLU 17 far 0 52 0 - 9.3-11.4 HB VAL 83 - HG2 GLU 17 far 0 39 0 - 9.7-11.6 QE MET 21 - HG3 GLU 16 far 0 46 0 - 9.8-12.2 HB3 GLU 37 - HG2 GLU 62 far 0 26 0 - 9.8-15.8 HB3 GLU 37 - HG2 GLU 63 far 0 27 0 - 9.9-14.2 HB2 MET 21 - HG3 GLU 16 far 0 26 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 1038 from cnoeabs.peaks (2.15, 2.27, 36.23 ppm; 2.61 A): 3 out of 18 assignments used, quality = 0.99: * HB3 GLU 23 + HG2 GLU 23 OK 95 100 100 95 2.5-3.0 2.9=74, 1.8/1024=34...(13) HB3 GLU 95 + HG2 GLU 95 OK 76 86 100 89 2.6-3.0 2.9=72, 7540/7541=24...(8) HB3 GLU 16 + HG3 GLU 16 OK 43 46 100 92 2.2-3.0 3.0=65, 1.8/1024=25...(15) HG2 GLU 104 - HG2 GLU 95 far 9 86 10 - 2.0-14.9 HB2 PRO 86 - HG2 GLU 17 poor 6 31 70 28 2.6-4.7 ~12333=7, 12333/1.8=6...(9) HB3 GLU 16 - HG2 GLU 17 far 3 51 5 - 3.2-6.3 HB2 PRO 86 - HG3 GLU 16 far 0 28 0 - 5.8-8.7 HG2 GLU 69 - HG3 GLU 62 far 0 39 0 - 6.8-9.6 HB3 GLU 69 - HG3 GLU 62 far 0 39 0 - 7.8-12.3 HB2 GLU 69 - HG3 GLU 62 far 0 39 0 - 8.0-10.9 HG2 GLU 69 - HG2 GLU 62 far 0 39 0 - 8.3-11.0 HG2 GLU 88 - HG2 GLU 95 far 0 83 0 - 8.6-11.5 HB3 GLU 16 - HG2 GLU 23 far 0 98 0 - 9.0-12.0 HB3 GLU 69 - HG2 GLU 62 far 0 39 0 - 9.1-13.2 HG2 GLU 88 - HG2 GLU 17 far 0 51 0 - 9.3-12.6 HB2 GLU 69 - HG2 GLU 62 far 0 39 0 - 9.4-12.0 HB3 GLU 37 - HG2 GLU 62 far 0 38 0 - 9.8-15.8 HB3 GLU 37 - HG2 GLU 63 far 0 39 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 1039 from cnoeabs.peaks (2.27, 2.27, 36.23 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG2 GLU 23 + HG2 GLU 23 OK 100 100 - 100 HG2 GLU 95 + HG2 GLU 95 OK 87 87 - 100 HG3 GLU 62 + HG3 GLU 62 OK 54 54 - 100 HG2 GLU 62 + HG2 GLU 62 OK 54 54 - 100 HG2 GLU 63 + HG2 GLU 63 OK 42 42 - 100 HG2 GLU 17 + HG2 GLU 17 OK 39 39 - 100 HG3 GLU 16 + HG3 GLU 16 OK 34 34 - 100 Peak 1040 from cnoeabs.peaks (2.49, 2.27, 36.23 ppm; 2.40 A): 3 out of 16 assignments used, quality = 1.00: * HG3 GLU 23 + HG2 GLU 23 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 95 + HG2 GLU 95 OK 52 52 100 100 1.8-1.8 1.8=100 HG3 GLU 63 + HG2 GLU 63 OK 42 42 100 100 1.8-1.8 1.8=100 HG3 GLU 63 - HG2 GLU 62 far 4 41 10 - 2.9-5.0 HG3 GLU 63 - HG3 GLU 62 far 0 41 0 - 4.2-6.4 HG3 GLU 98 - HG2 GLU 95 far 0 78 0 - 5.1-7.3 HB2 ASP 61 - HG2 GLU 62 far 0 47 0 - 5.5-7.9 HB3 ASP 87 - HG2 GLU 17 far 0 53 0 - 6.1-10.1 HB2 ASP 87 - HG2 GLU 17 far 0 53 0 - 6.3-9.5 HD2 ARG 91 - HG2 GLU 95 far 0 86 0 - 6.4-9.4 HB2 ASP 61 - HG2 GLU 63 far 0 48 0 - 6.6-7.5 HB2 ASP 61 - HG3 GLU 62 far 0 47 0 - 6.7-8.1 HD2 ARG 91 - HG2 GLU 17 far 0 54 0 - 7.6-10.9 HB2 ASP 87 - HG2 GLU 95 far 0 85 0 - 8.3-11.8 HB3 TYR 4 - HG2 GLU 23 far 0 73 0 - 8.4-12.9 HB3 ASP 87 - HG2 GLU 95 far 0 85 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 1041 from cnoeabs.peaks (7.57, 2.27, 36.23 ppm; 4.94 A): 3 out of 6 assignments used, quality = 1.00: * H LYS 24 + HG2 GLU 23 OK 100 100 100 100 2.5-5.1 6380=100, 6377/1016=84...(14) H LEU 14 + HG2 GLU 17 OK 41 44 100 94 4.6-6.3 ~8478=36, 8418/1.8=35...(15) H LEU 14 + HG3 GLU 16 OK 29 40 100 73 5.2-6.1 6204/6240=48...(7) H GLU 88 - HG2 GLU 17 far 0 54 0 - 7.6-10.0 HD22 ASN 10 - HG2 GLU 63 far 0 35 0 - 8.8-12.2 H GLU 88 - HG2 GLU 95 far 0 87 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 1042 from cnoeabs.peaks (8.28, 2.49, 36.23 ppm; 3.60 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.5-3.4 6368=90, 6366/2.9=63...(17) H LYS 94 - HG3 GLU 98 far 0 69 0 - 5.5-6.9 H LEU 27 - HG3 GLU 23 far 0 68 0 - 5.9-6.8 H LEU 103 - HG3 GLU 98 far 0 70 0 - 8.8-14.6 H LEU 27 - HG3 GLU 98 far 0 42 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 1043 from cnoeabs.peaks (4.15, 2.49, 36.23 ppm; 3.55 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.9-3.9 1017=80, 1016/1.8=77...(23) HB2 SER 59 - HG3 GLU 63 poor 11 53 55 38 3.8-6.5 6969/9411=15...(4) HA GLU 62 - HG3 GLU 63 far 0 42 0 - 5.6-6.8 HA GLU 99 - HG3 GLU 98 far 0 58 0 - 6.0-6.4 HA GLU 104 - HG3 GLU 98 far 0 62 0 - 8.9-16.8 Violated in 13 structures by 0.03 A. Peak 1044 from cnoeabs.peaks (2.09, 2.49, 36.23 ppm; 3.02 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 28 - HG3 GLU 23 far 4 88 5 - 4.4-8.4 HB2 LEU 64 - HG3 GLU 63 far 2 41 5 - 4.5-6.8 QE MET 21 - HG3 GLU 98 far 0 69 0 - 5.1-7.1 HB3 GLU 62 - HG3 GLU 63 far 0 56 0 - 5.3-6.9 HG3 GLU 28 - HG3 GLU 23 far 0 88 0 - 5.4-9.1 HB2 MET 21 - HG3 GLU 23 far 0 65 0 - 6.2-8.2 QE MET 21 - HG3 GLU 23 far 0 98 0 - 6.2-7.8 HB2 MET 21 - HG3 GLU 98 far 0 41 0 - 8.2-11.3 HB3 LEU 38 - HG3 GLU 63 far 0 52 0 - 8.4-11.7 HB2 GLU 16 - HG3 GLU 23 far 0 99 0 - 8.5-10.2 HB3 GLU 35 - HG3 GLU 63 far 0 56 0 - 8.8-12.1 HB3 GLU 37 - HG3 GLU 63 far 0 27 0 - 9.3-13.7 HB VAL 83 - HG3 GLU 63 far 0 41 0 - 9.6-12.4 HG3 GLU 104 - HG3 GLU 98 far 0 70 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 1045 from cnoeabs.peaks (2.15, 2.49, 36.23 ppm; 3.06 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLU 23 + HG3 GLU 23 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 GLU 95 - HG3 GLU 98 far 0 72 0 - 5.4-6.8 HB3 GLU 16 - HG3 GLU 23 far 0 98 0 - 8.3-10.3 HG2 GLU 104 - HG3 GLU 98 far 0 72 0 - 8.5-18.7 HB3 GLU 37 - HG3 GLU 63 far 0 39 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. Peak 1046 from cnoeabs.peaks (2.27, 2.49, 36.23 ppm; 2.46 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 23 + HG3 GLU 23 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 63 + HG3 GLU 63 OK 42 42 100 100 1.8-1.8 1.8=100 HG2 GLU 62 - HG3 GLU 63 far 6 55 10 - 2.9-5.0 HG3 GLU 62 - HG3 GLU 63 far 0 55 0 - 4.2-6.4 HG2 GLU 95 - HG3 GLU 98 far 0 73 0 - 5.1-7.3 HG2 GLU 37 - HG3 GLU 63 far 0 53 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 1047 from cnoeabs.peaks (2.49, 2.49, 36.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 23 + HG3 GLU 23 OK 100 100 - 100 HG3 GLU 98 + HG3 GLU 98 OK 65 65 - 100 HG3 GLU 63 + HG3 GLU 63 OK 42 42 - 100 Peak 1048 from cnoeabs.peaks (7.57, 2.49, 36.23 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 24 + HG3 GLU 23 OK 100 100 100 100 2.8-4.9 6380/1.8=87...(14) HD22 ASN 10 - HG3 GLU 63 far 0 35 0 - 7.6-12.0 H LYS 24 - HG3 GLU 98 far 0 73 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 1049 from cnoeabs.peaks (7.57, 4.10, 58.26 ppm; 3.36 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 24 + HA LYS 24 OK 100 100 100 100 2.8-2.9 3.0=100 H ILE 76 - HA ARG 46 far 0 60 0 - 5.5-7.6 H GLU 44 - HA ARG 46 far 0 45 0 - 6.6-7.0 Violated in 0 structures by 0.00 A. Peak 1050 from cnoeabs.peaks (4.10, 4.10, 58.26 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 24 + HA LYS 24 OK 100 100 - 100 HA LYS 66 + HA LYS 66 OK 53 53 - 100 HA ARG 46 + HA ARG 46 OK 46 46 - 100 Peak 1051 from cnoeabs.peaks (1.96, 4.10, 58.26 ppm; 2.73 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 24 + HA LYS 24 OK 98 100 100 98 2.2-2.5 3.0=74, 2.9/1096=32...(30) HB3 LYS 24 + HA LYS 24 OK 98 100 100 98 2.9-3.0 3.0=74, 2.9/1096=32...(30) HB3 ARG 46 + HA ARG 46 OK 62 64 100 96 2.2-3.0 3.0=76, 6750/3.0=21...(22) HB2 ARG 46 + HA ARG 46 OK 58 60 100 96 2.2-3.0 3.0=76, 6749/3.0=20...(22) HB3 MET 74 - HA ARG 46 far 0 64 0 - 4.4-7.6 HB2 LYS 47 - HA ARG 46 far 0 63 0 - 5.4-6.6 HB3 LYS 47 - HA ARG 46 far 0 32 0 - 5.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 81 0 - 5.6-7.1 QE MET 74 - HA ARG 46 far 0 31 0 - 6.1-7.9 QE MET 74 - HA LYS 66 far 0 33 0 - 7.3-10.6 HB2 GLU 44 - HA ARG 46 far 0 32 0 - 7.5-8.3 HB3 GLU 44 - HA ARG 46 far 0 32 0 - 7.7-8.5 QE MET 1 - HA ARG 46 far 0 59 0 - 8.4-12.4 HB2 LYS 73 - HA LYS 66 far 0 67 0 - 8.9-10.2 HB VAL 32 - HA LYS 66 far 0 55 0 - 9.0-10.2 HB3 ARG 19 - HA LYS 24 far 0 71 0 - 9.0-10.7 HB3 MET 1 - HA ARG 46 far 0 30 0 - 9.7-15.0 HB2 LYS 73 - HA ARG 46 far 0 64 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1052 from cnoeabs.peaks (1.96, 4.10, 58.26 ppm; 2.73 A): 4 out of 18 assignments used, quality = 1.00: HB2 LYS 24 + HA LYS 24 OK 98 100 100 98 2.2-2.5 3.0=74, 2.9/1096=32...(30) * HB3 LYS 24 + HA LYS 24 OK 98 100 100 98 2.9-3.0 3.0=74, 2.9/1096=32...(30) HB3 ARG 46 + HA ARG 46 OK 62 64 100 96 2.2-3.0 3.0=76, 6750/3.0=21...(22) HB2 ARG 46 + HA ARG 46 OK 58 60 100 96 2.2-3.0 3.0=76, 6749/3.0=20...(22) HB3 MET 74 - HA ARG 46 far 0 64 0 - 4.4-7.6 HB2 LYS 47 - HA ARG 46 far 0 63 0 - 5.4-6.6 HB3 LYS 47 - HA ARG 46 far 0 32 0 - 5.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 81 0 - 5.6-7.1 QE MET 74 - HA ARG 46 far 0 31 0 - 6.1-7.9 QE MET 74 - HA LYS 66 far 0 33 0 - 7.3-10.6 HB2 GLU 44 - HA ARG 46 far 0 32 0 - 7.5-8.3 HB3 GLU 44 - HA ARG 46 far 0 32 0 - 7.7-8.5 QE MET 1 - HA ARG 46 far 0 59 0 - 8.4-12.4 HB2 LYS 73 - HA LYS 66 far 0 67 0 - 8.9-10.2 HB VAL 32 - HA LYS 66 far 0 55 0 - 9.0-10.2 HB3 ARG 19 - HA LYS 24 far 0 71 0 - 9.0-10.7 HB3 MET 1 - HA ARG 46 far 0 30 0 - 9.7-15.0 HB2 LYS 73 - HA ARG 46 far 0 64 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1053 from cnoeabs.peaks (1.59, 4.10, 58.26 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: * HG2 LYS 24 + HA LYS 24 OK 100 100 100 100 2.4-4.1 3.7=99, 1.8/1096=77...(54) HD2 LYS 66 + HA LYS 66 OK 61 61 100 100 3.2-3.8 1.8/2942=64, 2931=39...(47) HG3 LYS 47 - HA ARG 46 far 0 35 0 - 5.4-6.8 HG LEU 27 - HA LYS 24 far 0 98 0 - 6.5-7.5 HD3 LYS 94 - HA LYS 24 far 0 98 0 - 7.6-11.8 HG3 LYS 73 - HA LYS 66 far 0 64 0 - 7.7-10.6 HD2 LYS 94 - HA LYS 24 far 0 61 0 - 7.8-10.8 HD3 LYS 53 - HA ARG 46 far 0 37 0 - 8.6-12.8 HB3 LEU 29 - HA LYS 24 far 0 99 0 - 9.1-10.2 HG2 ARG 19 - HA LYS 24 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1054 from cnoeabs.peaks (1.51, 4.10, 58.26 ppm; 3.39 A): 3 out of 9 assignments used, quality = 1.00: * HG3 LYS 24 + HA LYS 24 OK 100 100 100 100 2.7-3.9 1096=90, 1.8/1053=39...(42) HG3 LYS 66 + HA LYS 66 OK 61 61 100 100 2.8-3.8 3.7=76, 2.9/2942=42...(30) HG2 LYS 66 + HA LYS 66 OK 59 60 100 100 2.7-3.6 3.7=76, 2.9/2942=42...(32) HG2 LYS 47 - HA ARG 46 far 0 56 0 - 5.3-7.2 HG LEU 64 - HA LYS 66 far 0 47 0 - 6.9-7.4 HG2 LYS 73 - HA LYS 66 far 0 60 0 - 7.4-9.6 HG LEU 2 - HA ARG 46 far 0 63 0 - 8.1-11.0 HB3 LEU 64 - HA LYS 66 far 0 59 0 - 8.3-8.6 HG12 ILE 56 - HA LYS 66 far 0 53 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 1055 from cnoeabs.peaks (1.70, 4.10, 58.26 ppm; 3.39 A): 4 out of 15 assignments used, quality = 1.00: * HD2 LYS 24 + HA LYS 24 OK 99 100 100 99 3.3-4.7 3.0/1096=51, 4.9=32...(75) HD3 LYS 24 + HA LYS 24 OK 89 100 90 99 2.1-4.9 3.0/1096=51, 4.9=32...(76) HD3 LYS 66 + HA LYS 66 OK 66 67 100 100 1.9-2.3 2942=73, 2943/3.0=50...(47) HG LEU 70 + HA LYS 66 OK 52 67 100 77 3.3-4.5 3150/7139=23...(16) HB ILE 52 - HA ARG 46 far 2 48 5 - 4.0-7.7 HB3 LEU 70 - HA LYS 66 far 0 57 0 - 6.2-7.5 HD3 LYS 47 - HA ARG 46 far 0 59 0 - 6.8-8.2 HD2 LYS 73 - HA LYS 66 far 0 47 0 - 7.0-9.6 HG3 LYS 20 - HA LYS 24 far 0 91 0 - 7.0-9.2 HD2 LYS 47 - HA ARG 46 far 0 58 0 - 7.2-8.6 HD3 LYS 73 - HA LYS 66 far 0 45 0 - 7.3-10.6 HB2 LEU 2 - HA ARG 46 far 0 63 0 - 7.4-11.9 HD3 LYS 20 - HA LYS 24 far 0 91 0 - 8.7-10.6 HB3 LYS 53 - HA ARG 46 far 0 61 0 - 8.9-12.0 HD2 LYS 20 - HA LYS 24 far 0 94 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 1056 from cnoeabs.peaks (1.70, 4.10, 58.26 ppm; 3.39 A): 4 out of 15 assignments used, quality = 1.00: HD2 LYS 24 + HA LYS 24 OK 99 100 100 99 3.3-4.7 3.0/1096=51, 4.9=32...(75) * HD3 LYS 24 + HA LYS 24 OK 89 100 90 99 2.1-4.9 3.0/1096=51, 4.9=32...(76) HD3 LYS 66 + HA LYS 66 OK 67 67 100 100 1.9-2.3 2942=73, 2943/3.0=50...(47) HG LEU 70 + HA LYS 66 OK 52 67 100 77 3.3-4.5 3150/7139=23...(16) HB ILE 52 - HA ARG 46 far 2 47 5 - 4.0-7.7 HB3 LEU 70 - HA LYS 66 far 0 58 0 - 6.2-7.5 HD3 LYS 47 - HA ARG 46 far 0 58 0 - 6.8-8.2 HD2 LYS 73 - HA LYS 66 far 0 46 0 - 7.0-9.6 HG3 LYS 20 - HA LYS 24 far 0 90 0 - 7.0-9.2 HD2 LYS 47 - HA ARG 46 far 0 57 0 - 7.2-8.6 HD3 LYS 73 - HA LYS 66 far 0 44 0 - 7.3-10.6 HB2 LEU 2 - HA ARG 46 far 0 64 0 - 7.4-11.9 HD3 LYS 20 - HA LYS 24 far 0 90 0 - 8.7-10.6 HB3 LYS 53 - HA ARG 46 far 0 61 0 - 8.9-12.0 HD2 LYS 20 - HA LYS 24 far 0 93 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 1057 from cnoeabs.peaks (2.96, 4.10, 58.26 ppm; 4.81 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 24 + HA LYS 24 OK 100 100 100 100 3.9-5.6 3.7/1096=76, 6.2=46...(66) HE3 LYS 24 + HA LYS 24 OK 100 100 100 100 4.2-5.8 3.7/1096=76, 6.2=46...(66) HB3 PHE 45 + HA ARG 46 OK 60 64 100 94 4.0-4.9 6744/3.0=44, ~6743=31...(14) HB2 PHE 45 + HA ARG 46 OK 49 53 100 93 4.0-5.0 6744/3.0=42, ~6744=31...(14) HE3 LYS 47 - HA ARG 46 far 3 60 5 - 6.0-9.3 HE2 LYS 47 - HA ARG 46 far 0 60 0 - 6.9-8.7 HE3 LYS 73 - HA LYS 66 far 0 60 0 - 7.0-10.3 HG2 MET 21 - HA LYS 24 far 0 90 0 - 7.6-9.7 HE2 LYS 73 - HA LYS 66 far 0 64 0 - 7.7-11.2 HB2 ASN 51 - HA ARG 46 far 0 57 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 1058 from cnoeabs.peaks (2.96, 4.10, 58.26 ppm; 4.81 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 24 + HA LYS 24 OK 100 100 100 100 3.9-5.6 3.7/1096=76, 6.2=46...(66) * HE3 LYS 24 + HA LYS 24 OK 100 100 100 100 4.2-5.8 3.7/1096=76, 6.2=46...(66) HB3 PHE 45 + HA ARG 46 OK 60 64 100 94 4.0-4.9 6744/3.0=44, ~6743=31...(14) HB2 PHE 45 + HA ARG 46 OK 49 53 100 93 4.0-5.0 6744/3.0=42, ~6744=31...(14) HE3 LYS 47 - HA ARG 46 far 3 60 5 - 6.0-9.3 HE2 LYS 47 - HA ARG 46 far 0 60 0 - 6.9-8.7 HE3 LYS 73 - HA LYS 66 far 0 60 0 - 7.0-10.3 HG2 MET 21 - HA LYS 24 far 0 90 0 - 7.6-9.7 HE2 LYS 73 - HA LYS 66 far 0 64 0 - 7.7-11.2 HB2 ASN 51 - HA ARG 46 far 0 57 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 1059 from cnoeabs.peaks (7.71, 4.10, 58.26 ppm; 3.91 A): 2 out of 7 assignments used, quality = 1.00: * H ALA 25 + HA LYS 24 OK 100 100 100 100 3.4-3.5 3.6=100 H SER 49 + HA ARG 46 OK 38 58 100 65 3.2-4.3 9076/3.6=18, 6804=17...(10) H LEU 64 - HA LYS 66 far 0 66 0 - 6.5-6.9 H MET 21 - HA LYS 24 far 0 84 0 - 6.7-7.4 HD22 ASN 51 - HA ARG 46 far 0 48 0 - 7.4-13.0 H MET 74 - HA ARG 46 far 0 35 0 - 7.4-10.0 H GLU 37 - HA LYS 66 far 0 44 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 1060 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.30 A): 7 out of 14 assignments used, quality = 1.00: HA MET 74 + HB2 LYS 73 OK 81 89 100 91 4.1-4.7 10859/3.0=34...(21) HA MET 21 + HB3 LYS 24 OK 81 100 100 81 2.3-3.4 958=29, 956/4.0=27...(11) HA ALA 25 + HB3 LYS 24 OK 77 100 80 96 4.3-5.2 3.0/6399=27, 2.1/8623=22...(27) * HA MET 21 + HB2 LYS 24 OK 77 100 95 81 3.4-4.8 957=29, 956/4.0=27...(12) HA MET 74 + HB3 LYS 73 OK 72 88 90 91 4.3-4.9 10859/3.0=34...(21) HA MET 21 + HB3 LYS 20 OK 46 58 95 83 3.8-4.9 957=25, 3.0/6325=24...(15) HA GLU 48 + HB2 LYS 47 OK 38 61 75 83 4.1-5.1 3.0/6782=36, ~6783=27...(10) HA ALA 25 - HB2 LYS 24 far 0 100 0 - 5.4-5.7 HA GLN 50 - HB2 LYS 47 far 0 65 0 - 8.8-10.6 HA ALA 25 - HB3 LYS 20 far 0 58 0 - 9.0-10.0 HA ILE 76 - HB2 LYS 47 far 0 61 0 - 9.2-11.6 HA ILE 76 - HB2 LYS 73 far 0 82 0 - 9.2-9.6 HA ILE 76 - HB3 LYS 73 far 0 82 0 - 9.9-10.5 HA MET 74 - HB2 LYS 47 far 0 68 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1061 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: H LYS 24 + HB3 LYS 24 OK 97 100 100 97 2.1-2.5 4.0=41, 6385/2.9=35...(27) * H LYS 24 + HB2 LYS 24 OK 97 100 100 97 2.6-3.4 4.0=41, 6385/2.9=35...(26) H LYS 24 - HB3 LYS 20 far 0 58 0 - 4.8-5.3 H GLU 44 - HB2 LYS 47 far 0 49 0 - 5.2-8.5 H ILE 76 - HB2 LYS 73 far 0 86 0 - 6.5-7.0 H ILE 76 - HB3 LYS 73 far 0 85 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 1062 from cnoeabs.peaks (4.10, 1.96, 32.08 ppm; 2.87 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.2-2.5 3.0=87, 1096/2.9=36...(32) HA LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.9-3.0 3.0=87, 1096/2.9=36...(32) HA ARG 46 - HB2 LYS 47 far 0 50 0 - 5.4-6.6 HA LYS 24 - HB3 LYS 20 far 0 58 0 - 5.6-7.1 HA LYS 66 - HB2 LYS 73 far 0 75 0 - 8.9-10.2 HA ARG 46 - HB2 LYS 73 far 0 69 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1063 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 * HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 90 90 - 100 HB3 LYS 73 + HB3 LYS 73 OK 89 89 - 100 HB2 LYS 47 + HB2 LYS 47 OK 69 69 - 100 HB3 LYS 20 + HB3 LYS 20 OK 40 40 - 100 Peak 1064 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 90 90 - 100 HB3 LYS 73 + HB3 LYS 73 OK 89 89 - 100 HB2 LYS 47 + HB2 LYS 47 OK 69 69 - 100 HB3 LYS 20 + HB3 LYS 20 OK 40 40 - 100 Reference assignment not found: HB3 LYS 24 - HB2 LYS 24 Peak 1065 from cnoeabs.peaks (1.59, 1.96, 32.08 ppm; 2.94 A): 5 out of 24 assignments used, quality = 1.00: HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 * HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 86 86 100 100 2.5-3.0 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 38 38 100 100 2.3-3.0 3.0=97, 6773/4.0=18...(72) HG2 ARG 19 - HB3 LYS 20 far 0 58 0 - 4.7-8.3 HG2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-7.8 HG3 LYS 90 - HB3 LYS 20 far 0 58 0 - 5.6-9.7 HD3 LYS 94 - HB3 LYS 24 far 0 98 0 - 5.7-9.0 HD2 LYS 94 - HB3 LYS 24 far 0 61 0 - 6.2-8.2 HG LEU 27 - HB3 LYS 24 far 0 98 0 - 6.5-7.5 HD3 LYS 94 - HB2 LYS 24 far 0 98 0 - 7.3-10.7 HD2 LYS 94 - HB2 LYS 24 far 0 61 0 - 7.4-9.9 HG3 LYS 90 - HB3 LYS 24 far 0 100 0 - 7.4-10.5 HG LEU 27 - HB2 LYS 24 far 0 98 0 - 7.6-8.7 HG2 ARG 19 - HB3 LYS 24 far 0 100 0 - 7.9-10.3 HB3 LEU 29 - HB3 LYS 20 far 0 55 0 - 7.9-9.5 HB3 LEU 29 - HB3 LYS 24 far 0 99 0 - 8.3-9.4 HG3 LYS 90 - HB2 LYS 24 far 0 100 0 - 8.4-11.6 HD2 LYS 94 - HB3 LYS 20 far 0 29 0 - 8.6-10.6 HG2 ARG 19 - HB2 LYS 24 far 0 100 0 - 8.8-10.8 HD3 LYS 94 - HB3 LYS 20 far 0 54 0 - 8.9-10.8 HB3 LEU 29 - HB2 LYS 24 far 0 99 0 - 9.3-10.4 HG LEU 27 - HB3 LYS 20 far 0 54 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 1066 from cnoeabs.peaks (1.51, 1.96, 32.08 ppm; 3.00 A): 5 out of 8 assignments used, quality = 1.00: * HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.5-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 61 61 100 100 2.3-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-7.6 HG3 LYS 66 - HB2 LYS 73 far 0 84 0 - 9.1-13.1 HG LEU 2 - HB2 LYS 47 far 0 68 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 1067 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 14 out of 30 assignments used, quality = 1.00: HD3 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-3.6 3.6=53, ~1096=11...(122) HD3 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.1-4.2 3.6=53, ~1096=11...(122) HD2 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-4.2 3.6=53, 1055/3.0=12...(122) * HD2 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.0-3.7 3.6=53, 1055/3.0=12...(122) HD2 LYS 73 + HB2 LYS 73 OK 67 68 100 99 2.9-3.3 3.6=51, 3298/2.9=13...(132) HD2 LYS 73 + HB3 LYS 73 OK 66 67 100 99 2.4-3.4 3.6=51, 3298/2.9=13...(129) HD3 LYS 73 + HB2 LYS 73 OK 64 64 100 99 2.8-3.8 3.6=51, 3298/2.9=13...(143) HD3 LYS 73 + HB3 LYS 73 OK 63 64 100 99 2.1-3.6 3.6=51, 3298/2.9=13...(139) HD3 LYS 47 + HB2 LYS 47 OK 63 64 100 99 2.2-3.7 3.9=38, 6775/4.0=11...(135) HD2 LYS 47 + HB2 LYS 47 OK 62 63 100 99 2.6-3.9 3.9=38, 6775/4.0=11...(135) HD2 LYS 20 + HB3 LYS 20 OK 48 50 100 96 3.3-4.1 3.5=54, 6311/4.0=9...(82) HG3 LYS 20 + HB3 LYS 20 OK 46 47 100 99 2.2-2.4 3.0=92, 893/4.0=20...(49) HD3 LYS 20 + HB3 LYS 20 OK 45 47 100 96 2.7-4.1 3.5=54, 6311/4.0=9...(82) HB3 LEU 70 + HB2 LYS 73 OK 28 79 55 66 4.0-4.6 3.0/10815=16, ~10813=10...(17) HD3 LYS 24 - HB3 LYS 20 far 3 58 5 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 91 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 91 0 - 5.1-7.9 HB3 LEU 70 - HB3 LYS 73 far 0 78 0 - 5.4-6.1 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 6.0-6.8 HD3 LYS 20 - HB2 LYS 24 far 0 91 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 91 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.7-10.6 HD2 LYS 20 - HB2 LYS 24 far 0 94 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 94 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 7.5-8.3 HB ILE 52 - HB2 LYS 47 far 0 53 0 - 7.9-10.9 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 8.7-11.5 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 9.4-11.5 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 1068 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 14 out of 30 assignments used, quality = 1.00: HD3 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-3.6 3.6=53, ~1096=11...(122) * HD3 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.1-4.2 3.6=53, ~1096=11...(122) HD2 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-4.2 3.6=53, 1055/3.0=12...(122) HD2 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.0-3.7 3.6=53, 1055/3.0=12...(122) HD2 LYS 73 + HB2 LYS 73 OK 65 66 100 99 2.9-3.3 3.6=51, 3298/2.9=13...(132) HD2 LYS 73 + HB3 LYS 73 OK 65 65 100 99 2.4-3.4 3.6=51, 3298/2.9=13...(129) HD3 LYS 47 + HB2 LYS 47 OK 62 63 100 99 2.2-3.7 3.9=38, 6775/4.0=11...(135) HD3 LYS 73 + HB2 LYS 73 OK 62 63 100 99 2.8-3.8 3.6=51, 3298/2.9=13...(143) HD3 LYS 73 + HB3 LYS 73 OK 62 62 100 99 2.1-3.6 3.6=51, 3298/2.9=13...(139) HD2 LYS 47 + HB2 LYS 47 OK 62 62 100 99 2.6-3.9 3.9=38, 6775/4.0=11...(135) HD2 LYS 20 + HB3 LYS 20 OK 47 49 100 96 3.3-4.1 3.5=54, 6311/4.0=9...(82) HG3 LYS 20 + HB3 LYS 20 OK 45 46 100 99 2.2-2.4 3.0=92, 893/4.0=20...(49) HD3 LYS 20 + HB3 LYS 20 OK 44 46 100 96 2.7-4.1 3.5=54, 6311/4.0=9...(82) HB3 LEU 70 + HB2 LYS 73 OK 29 80 55 66 4.0-4.6 3.0/10815=16, ~10813=10...(17) HD3 LYS 24 - HB3 LYS 20 far 3 58 5 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 90 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 90 0 - 5.1-7.9 HB3 LEU 70 - HB3 LYS 73 far 0 80 0 - 5.4-6.1 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 6.0-6.8 HD3 LYS 20 - HB2 LYS 24 far 0 90 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 90 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.7-10.6 HD2 LYS 20 - HB2 LYS 24 far 0 93 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 93 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 7.5-8.3 HB ILE 52 - HB2 LYS 47 far 0 52 0 - 7.9-10.9 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 8.7-11.5 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 9.4-11.5 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 1069 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.84 A): 10 out of 19 assignments used, quality = 1.00: HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.2 4.9=47, 12306/3.0=24...(118) HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-5.2 4.9=47, 12306/3.0=20...(117) * HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.5-5.1 4.9=47, 12306/3.0=24...(118) HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.7 4.9=47, 12306/3.0=20...(117) HE2 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.7-4.9 4.9=49, 7211/4.1=13...(132) HE2 LYS 73 + HB3 LYS 73 OK 87 87 100 100 3.6-4.1 4.9=49, 7211/4.1=13...(132) HE3 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.2-4.7 4.9=49, 7211/4.1=13...(129) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.5-4.5 4.9=49, 7211/4.1=13...(129) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.2-4.6 4.9=49, 2211/4.7=16...(131) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.3 4.9=49, 2217/3.0=15...(131) HG2 MET 21 - HB3 LYS 24 far 4 90 5 - 5.1-6.9 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-9.2 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.8-7.4 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 7.0-10.5 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 1070 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.84 A): 10 out of 19 assignments used, quality = 1.00: HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.2 4.9=47, 12306/3.0=24...(118) HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-5.2 4.9=47, 12306/3.0=20...(117) HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.5-5.1 4.9=47, 12306/3.0=24...(118) * HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.7 4.9=47, 12306/3.0=20...(117) HE2 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.7-4.9 4.9=49, 7211/4.1=13...(132) HE2 LYS 73 + HB3 LYS 73 OK 87 87 100 100 3.6-4.1 4.9=49, 7211/4.1=13...(132) HE3 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.2-4.7 4.9=49, 7211/4.1=13...(129) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.5-4.5 4.9=49, 7211/4.1=13...(129) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.2-4.6 4.9=49, 2211/4.7=16...(131) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.3 4.9=49, 2217/3.0=15...(131) HG2 MET 21 - HB3 LYS 24 far 4 90 5 - 5.1-6.9 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-9.2 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.8-7.4 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 7.0-10.5 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 1071 from cnoeabs.peaks (7.71, 1.96, 32.08 ppm; 3.22 A): 5 out of 9 assignments used, quality = 1.00: * H ALA 25 + HB2 LYS 24 OK 98 100 100 98 3.9-4.3 6400=50, 6400/1.8=36...(22) H ALA 25 + HB3 LYS 24 OK 98 100 100 98 2.7-3.3 6399=50, 6400/1.8=36...(21) H MET 74 + HB2 LYS 73 OK 48 54 100 90 2.6-3.1 4.6=34, 7213/4.1=23...(21) H MET 74 + HB3 LYS 73 OK 47 53 100 87 3.5-4.2 4.6=34, 7213/4.1=23...(17) H MET 21 + HB3 LYS 20 OK 36 42 100 86 2.7-4.0 4.6=34, 6315/4.0=30...(13) H MET 21 - HB3 LYS 24 far 8 84 10 - 4.5-5.7 H SER 49 - HB2 LYS 47 far 0 63 0 - 4.9-6.5 H MET 21 - HB2 LYS 24 far 0 84 0 - 5.0-6.4 H ALA 25 - HB3 LYS 20 far 0 58 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 1072 from cnoeabs.peaks (4.41, 1.96, 32.08 ppm; 3.30 A): 7 out of 14 assignments used, quality = 1.00: HA MET 74 + HB2 LYS 73 OK 81 89 100 91 4.1-4.7 10859/3.0=34...(21) * HA MET 21 + HB3 LYS 24 OK 81 100 100 81 2.3-3.4 958=29, 956/4.0=27...(11) HA ALA 25 + HB3 LYS 24 OK 77 100 80 96 4.3-5.2 3.0/6399=27, 2.1/8623=22...(27) HA MET 21 + HB2 LYS 24 OK 77 100 95 81 3.4-4.8 957=29, 956/4.0=27...(12) HA MET 74 + HB3 LYS 73 OK 72 88 90 91 4.3-4.9 10859/3.0=34...(21) HA MET 21 + HB3 LYS 20 OK 46 58 95 83 3.8-4.9 957=25, 3.0/6325=24...(15) HA GLU 48 + HB2 LYS 47 OK 38 61 75 83 4.1-5.1 3.0/6782=36, ~6783=27...(10) HA ALA 25 - HB2 LYS 24 far 0 100 0 - 5.4-5.7 HA GLN 50 - HB2 LYS 47 far 0 65 0 - 8.8-10.6 HA ALA 25 - HB3 LYS 20 far 0 58 0 - 9.0-10.0 HA ILE 76 - HB2 LYS 47 far 0 61 0 - 9.2-11.6 HA ILE 76 - HB2 LYS 73 far 0 82 0 - 9.2-9.6 HA ILE 76 - HB3 LYS 73 far 0 82 0 - 9.9-10.5 HA MET 74 - HB2 LYS 47 far 0 68 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1073 from cnoeabs.peaks (7.57, 1.96, 32.08 ppm; 3.00 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 24 + HB3 LYS 24 OK 97 100 100 97 2.1-2.5 4.0=41, 6385/2.9=35...(27) H LYS 24 + HB2 LYS 24 OK 97 100 100 97 2.6-3.4 4.0=41, 6385/2.9=35...(26) H LYS 24 - HB3 LYS 20 far 0 58 0 - 4.8-5.3 H GLU 44 - HB2 LYS 47 far 0 49 0 - 5.2-8.5 H ILE 76 - HB2 LYS 73 far 0 86 0 - 6.5-7.0 H ILE 76 - HB3 LYS 73 far 0 85 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 1074 from cnoeabs.peaks (4.10, 1.96, 32.08 ppm; 2.87 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.2-2.5 3.0=87, 1096/2.9=36...(32) * HA LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.9-3.0 3.0=87, 1096/2.9=36...(32) HA ARG 46 - HB2 LYS 47 far 0 50 0 - 5.4-6.6 HA LYS 24 - HB3 LYS 20 far 0 58 0 - 5.6-7.1 HA LYS 66 - HB2 LYS 73 far 0 75 0 - 8.9-10.2 HA ARG 46 - HB2 LYS 73 far 0 69 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1075 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 90 90 - 100 HB3 LYS 73 + HB3 LYS 73 OK 89 89 - 100 HB2 LYS 47 + HB2 LYS 47 OK 69 69 - 100 HB3 LYS 20 + HB3 LYS 20 OK 40 40 - 100 Reference assignment not found: HB2 LYS 24 - HB3 LYS 24 Peak 1076 from cnoeabs.peaks (1.96, 1.96, 32.08 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB3 LYS 24 + HB3 LYS 24 OK 100 100 - 100 HB2 LYS 24 + HB2 LYS 24 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 90 90 - 100 HB3 LYS 73 + HB3 LYS 73 OK 89 89 - 100 HB2 LYS 47 + HB2 LYS 47 OK 69 69 - 100 HB3 LYS 20 + HB3 LYS 20 OK 40 40 - 100 Peak 1077 from cnoeabs.peaks (1.59, 1.96, 32.08 ppm; 2.94 A): 5 out of 24 assignments used, quality = 1.00: * HG2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 86 86 100 100 2.5-3.0 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 38 38 100 100 2.3-3.0 3.0=97, 6773/4.0=18...(72) HG2 ARG 19 - HB3 LYS 20 far 0 58 0 - 4.7-8.3 HG2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-7.8 HG3 LYS 90 - HB3 LYS 20 far 0 58 0 - 5.6-9.7 HD3 LYS 94 - HB3 LYS 24 far 0 98 0 - 5.7-9.0 HD2 LYS 94 - HB3 LYS 24 far 0 61 0 - 6.2-8.2 HG LEU 27 - HB3 LYS 24 far 0 98 0 - 6.5-7.5 HD3 LYS 94 - HB2 LYS 24 far 0 98 0 - 7.3-10.7 HD2 LYS 94 - HB2 LYS 24 far 0 61 0 - 7.4-9.9 HG3 LYS 90 - HB3 LYS 24 far 0 100 0 - 7.4-10.5 HG LEU 27 - HB2 LYS 24 far 0 98 0 - 7.6-8.7 HG2 ARG 19 - HB3 LYS 24 far 0 100 0 - 7.9-10.3 HB3 LEU 29 - HB3 LYS 20 far 0 55 0 - 7.9-9.5 HB3 LEU 29 - HB3 LYS 24 far 0 99 0 - 8.3-9.4 HG3 LYS 90 - HB2 LYS 24 far 0 100 0 - 8.4-11.6 HD2 LYS 94 - HB3 LYS 20 far 0 29 0 - 8.6-10.6 HG2 ARG 19 - HB2 LYS 24 far 0 100 0 - 8.8-10.8 HD3 LYS 94 - HB3 LYS 20 far 0 54 0 - 8.9-10.8 HB3 LEU 29 - HB2 LYS 24 far 0 99 0 - 9.3-10.4 HG LEU 27 - HB3 LYS 20 far 0 54 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 1078 from cnoeabs.peaks (1.51, 1.96, 32.08 ppm; 3.00 A): 5 out of 8 assignments used, quality = 1.00: HG3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 * HG3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.5-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 61 61 100 100 2.3-3.0 3.0=100 HG3 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-7.6 HG3 LYS 66 - HB2 LYS 73 far 0 84 0 - 9.1-13.1 HG LEU 2 - HB2 LYS 47 far 0 68 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 1079 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 14 out of 30 assignments used, quality = 1.00: HD3 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-3.6 3.6=53, ~1096=11...(122) HD3 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.1-4.2 3.6=53, ~1096=11...(122) * HD2 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-4.2 3.6=53, 1055/3.0=12...(122) HD2 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.0-3.7 3.6=53, 1055/3.0=12...(122) HD2 LYS 73 + HB2 LYS 73 OK 67 68 100 99 2.9-3.3 3.6=51, 3298/2.9=13...(132) HD2 LYS 73 + HB3 LYS 73 OK 66 67 100 99 2.4-3.4 3.6=51, 3298/2.9=13...(129) HD3 LYS 73 + HB2 LYS 73 OK 64 64 100 99 2.8-3.8 3.6=51, 3298/2.9=13...(143) HD3 LYS 73 + HB3 LYS 73 OK 63 64 100 99 2.1-3.6 3.6=51, 3298/2.9=13...(139) HD3 LYS 47 + HB2 LYS 47 OK 63 64 100 99 2.2-3.7 3.9=38, 6775/4.0=11...(135) HD2 LYS 47 + HB2 LYS 47 OK 62 63 100 99 2.6-3.9 3.9=38, 6775/4.0=11...(135) HD2 LYS 20 + HB3 LYS 20 OK 48 50 100 96 3.3-4.1 3.5=54, 6311/4.0=9...(82) HG3 LYS 20 + HB3 LYS 20 OK 46 47 100 99 2.2-2.4 3.0=92, 893/4.0=20...(49) HD3 LYS 20 + HB3 LYS 20 OK 45 47 100 96 2.7-4.1 3.5=54, 6311/4.0=9...(82) HB3 LEU 70 + HB2 LYS 73 OK 28 79 55 66 4.0-4.6 3.0/10815=16, ~10813=10...(17) HD3 LYS 24 - HB3 LYS 20 far 3 58 5 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 91 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 91 0 - 5.1-7.9 HB3 LEU 70 - HB3 LYS 73 far 0 78 0 - 5.4-6.1 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 6.0-6.8 HD3 LYS 20 - HB2 LYS 24 far 0 91 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 91 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.7-10.6 HD2 LYS 20 - HB2 LYS 24 far 0 94 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 94 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 7.5-8.3 HB ILE 52 - HB2 LYS 47 far 0 53 0 - 7.9-10.9 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 8.7-11.5 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 9.4-11.5 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 1080 from cnoeabs.peaks (1.70, 1.96, 32.08 ppm; 2.87 A): 14 out of 30 assignments used, quality = 1.00: * HD3 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-3.6 3.6=53, ~1096=11...(122) HD3 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.1-4.2 3.6=53, ~1096=11...(122) HD2 LYS 24 + HB3 LYS 24 OK 99 100 100 99 2.2-4.2 3.6=53, 1055/3.0=12...(122) HD2 LYS 24 + HB2 LYS 24 OK 99 100 100 99 2.0-3.7 3.6=53, 1055/3.0=12...(122) HD2 LYS 73 + HB2 LYS 73 OK 65 66 100 99 2.9-3.3 3.6=51, 3298/2.9=13...(132) HD2 LYS 73 + HB3 LYS 73 OK 65 65 100 99 2.4-3.4 3.6=51, 3298/2.9=13...(129) HD3 LYS 47 + HB2 LYS 47 OK 62 63 100 99 2.2-3.7 3.9=38, 6775/4.0=11...(135) HD3 LYS 73 + HB2 LYS 73 OK 62 63 100 99 2.8-3.8 3.6=51, 3298/2.9=13...(143) HD3 LYS 73 + HB3 LYS 73 OK 62 62 100 99 2.1-3.6 3.6=51, 3298/2.9=13...(139) HD2 LYS 47 + HB2 LYS 47 OK 62 62 100 99 2.6-3.9 3.9=38, 6775/4.0=11...(135) HD2 LYS 20 + HB3 LYS 20 OK 47 49 100 96 3.3-4.1 3.5=54, 6311/4.0=9...(82) HG3 LYS 20 + HB3 LYS 20 OK 45 46 100 99 2.2-2.4 3.0=92, 893/4.0=20...(49) HD3 LYS 20 + HB3 LYS 20 OK 44 46 100 96 2.7-4.1 3.5=54, 6311/4.0=9...(82) HB3 LEU 70 + HB2 LYS 73 OK 29 80 55 66 4.0-4.6 3.0/10815=16, ~10813=10...(17) HD3 LYS 24 - HB3 LYS 20 far 3 58 5 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 90 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 90 0 - 5.1-7.9 HB3 LEU 70 - HB3 LYS 73 far 0 80 0 - 5.4-6.1 HG LEU 70 - HB2 LYS 73 far 0 91 0 - 6.0-6.8 HD3 LYS 20 - HB2 LYS 24 far 0 90 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 90 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 58 0 - 6.7-10.6 HD2 LYS 20 - HB2 LYS 24 far 0 93 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 93 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 90 0 - 7.5-8.3 HB ILE 52 - HB2 LYS 47 far 0 52 0 - 7.9-10.9 HD3 LYS 90 - HB3 LYS 24 far 0 100 0 - 8.7-11.5 HD3 LYS 66 - HB2 LYS 73 far 0 90 0 - 9.4-11.5 HD3 LYS 90 - HB2 LYS 24 far 0 100 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 1081 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.84 A): 10 out of 19 assignments used, quality = 1.00: * HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.2 4.9=47, 12306/3.0=24...(118) HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-5.2 4.9=47, 12306/3.0=20...(117) HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.5-5.1 4.9=47, 12306/3.0=24...(118) HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.7 4.9=47, 12306/3.0=20...(117) HE2 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.7-4.9 4.9=49, 7211/4.1=13...(132) HE2 LYS 73 + HB3 LYS 73 OK 87 87 100 100 3.6-4.1 4.9=49, 7211/4.1=13...(132) HE3 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.2-4.7 4.9=49, 7211/4.1=13...(129) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.5-4.5 4.9=49, 7211/4.1=13...(129) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.2-4.6 4.9=49, 2211/4.7=16...(131) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.3 4.9=49, 2217/3.0=15...(131) HG2 MET 21 - HB3 LYS 24 far 4 90 5 - 5.1-6.9 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-9.2 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.8-7.4 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 7.0-10.5 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 1082 from cnoeabs.peaks (2.96, 1.96, 32.08 ppm; 3.84 A): 10 out of 19 assignments used, quality = 1.00: HE2 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.6-5.2 4.9=47, 12306/3.0=24...(118) * HE3 LYS 24 + HB3 LYS 24 OK 100 100 100 100 2.7-5.2 4.9=47, 12306/3.0=20...(117) HE2 LYS 24 + HB2 LYS 24 OK 100 100 100 100 2.5-5.1 4.9=47, 12306/3.0=24...(118) HE3 LYS 24 + HB2 LYS 24 OK 100 100 100 100 3.0-4.7 4.9=47, 12306/3.0=20...(117) HE2 LYS 73 + HB2 LYS 73 OK 87 87 100 100 2.7-4.9 4.9=49, 7211/4.1=13...(132) HE2 LYS 73 + HB3 LYS 73 OK 87 87 100 100 3.6-4.1 4.9=49, 7211/4.1=13...(132) HE3 LYS 73 + HB2 LYS 73 OK 83 83 100 100 2.2-4.7 4.9=49, 7211/4.1=13...(129) HE3 LYS 73 + HB3 LYS 73 OK 83 83 100 100 2.5-4.5 4.9=49, 7211/4.1=13...(129) HE2 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.2-4.6 4.9=49, 2211/4.7=16...(131) HE3 LYS 47 + HB2 LYS 47 OK 65 65 100 100 2.0-4.3 4.9=49, 2217/3.0=15...(131) HG2 MET 21 - HB3 LYS 24 far 4 90 5 - 5.1-6.9 HE2 LYS 24 - HB3 LYS 20 far 0 58 0 - 5.5-9.2 HG2 MET 21 - HB3 LYS 20 far 0 46 0 - 5.8-7.4 HE3 LYS 24 - HB3 LYS 20 far 0 58 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 57 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 69 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 42 0 - 7.0-10.5 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 1083 from cnoeabs.peaks (7.71, 1.96, 32.08 ppm; 3.22 A): 5 out of 9 assignments used, quality = 1.00: H ALA 25 + HB2 LYS 24 OK 98 100 100 98 3.9-4.3 6400=50, 6400/1.8=36...(22) * H ALA 25 + HB3 LYS 24 OK 98 100 100 98 2.7-3.3 6399=50, 6400/1.8=36...(21) H MET 74 + HB2 LYS 73 OK 48 54 100 90 2.6-3.1 4.6=34, 7213/4.1=23...(21) H MET 74 + HB3 LYS 73 OK 47 53 100 87 3.5-4.2 4.6=34, 7213/4.1=23...(17) H MET 21 + HB3 LYS 20 OK 36 42 100 86 2.7-4.0 4.6=34, 6315/4.0=30...(13) H MET 21 - HB3 LYS 24 far 8 84 10 - 4.5-5.7 H SER 49 - HB2 LYS 47 far 0 63 0 - 4.9-6.5 H MET 21 - HB2 LYS 24 far 0 84 0 - 5.0-6.4 H ALA 25 - HB3 LYS 20 far 0 58 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 1084 from cnoeabs.peaks (7.57, 1.59, 25.00 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 24 + HG2 LYS 24 OK 100 100 100 100 4.0-4.5 6385=100, ~1096=50...(31) H GLU 88 - HG3 LYS 90 poor 20 79 25 - 4.4-7.7 HD22 ASN 10 - HG3 LYS 12 far 7 70 10 - 5.5-10.8 H LEU 14 - HG3 LYS 12 far 4 87 5 - 5.3-7.2 H LEU 14 - HG3 LYS 90 far 0 66 0 - 7.2-11.0 H ILE 76 - HG3 LYS 73 far 0 91 0 - 7.4-8.6 H LYS 24 - HG3 LYS 90 far 0 79 0 - 8.4-11.1 Violated in 6 structures by 0.04 A. Peak 1085 from cnoeabs.peaks (4.10, 1.59, 25.00 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.4-4.1 3.7=100 HA PRO 86 + HG3 LYS 90 OK 28 75 50 75 3.8-7.1 9950/7420=38, ~11077=11...(15) HA LYS 66 - HG3 LYS 73 far 0 81 0 - 7.7-10.6 Violated in 1 structures by 0.01 A. Peak 1086 from cnoeabs.peaks (1.96, 1.59, 25.00 ppm; 3.07 A): 5 out of 16 assignments used, quality = 1.00: HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 * HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.5-3.0 2.9=100 HB2 GLU 17 + HG3 LYS 90 OK 45 66 90 77 2.0-5.1 12027=21, 1.8/12029=19...(21) QE MET 74 - HG3 LYS 73 far 5 53 10 - 4.1-7.1 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 5.5-7.8 HB3 LYS 20 - HG3 LYS 90 far 0 57 0 - 5.6-9.7 HB3 MET 74 - HG3 LYS 73 far 0 96 0 - 6.6-8.3 HB3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.4-10.5 HB3 ARG 19 - HG3 LYS 90 far 0 49 0 - 7.8-11.2 HG3 GLU 88 - HG3 LYS 90 far 0 68 0 - 8.0-10.5 HB2 GLU 17 - HG3 LYS 12 far 0 87 0 - 8.2-12.9 HB2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.4-11.6 HB3 ARG 19 - HG3 LYS 12 far 0 68 0 - 9.7-12.8 HB2 ARG 46 - HG3 LYS 73 far 0 92 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1087 from cnoeabs.peaks (1.96, 1.59, 25.00 ppm; 3.07 A): 5 out of 16 assignments used, quality = 1.00: * HB3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 95 95 100 100 2.5-3.0 2.9=100 HB2 GLU 17 + HG3 LYS 90 OK 45 66 90 77 2.0-5.1 12027=21, 1.8/12029=19...(21) QE MET 74 - HG3 LYS 73 far 5 53 10 - 4.1-7.1 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 5.5-7.8 HB3 LYS 20 - HG3 LYS 90 far 0 57 0 - 5.6-9.7 HB3 MET 74 - HG3 LYS 73 far 0 96 0 - 6.6-8.3 HB3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.4-10.5 HB3 ARG 19 - HG3 LYS 90 far 0 49 0 - 7.8-11.2 HG3 GLU 88 - HG3 LYS 90 far 0 68 0 - 8.0-10.5 HB2 GLU 17 - HG3 LYS 12 far 0 87 0 - 8.2-12.9 HB2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.4-11.6 HB3 ARG 19 - HG3 LYS 12 far 0 68 0 - 9.7-12.8 HB2 ARG 46 - HG3 LYS 73 far 0 92 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1088 from cnoeabs.peaks (1.59, 1.59, 25.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 LYS 24 + HG2 LYS 24 OK 100 100 - 100 HG3 LYS 12 + HG3 LYS 12 OK 97 97 - 100 HG3 LYS 73 + HG3 LYS 73 OK 92 92 - 100 HG3 LYS 90 + HG3 LYS 90 OK 79 79 - 100 Peak 1089 from cnoeabs.peaks (1.51, 1.59, 25.00 ppm; 2.40 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 73 + HG3 LYS 73 OK 89 89 100 100 1.8-1.8 1.8=100 HB2 ARG 91 - HG3 LYS 90 far 0 65 0 - 4.2-7.5 HB2 LEU 14 - HG3 LYS 90 far 0 73 0 - 5.5-9.4 HG3 LYS 13 - HG3 LYS 12 far 0 96 0 - 5.6-7.8 HG LEU 57 - HG3 LYS 90 far 0 77 0 - 6.7-9.3 HB2 LEU 14 - HG3 LYS 12 far 0 94 0 - 8.2-10.0 HG3 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.2-12.4 HG3 LYS 66 - HG3 LYS 73 far 0 90 0 - 8.3-14.2 HG3 LYS 13 - HG3 LYS 90 far 0 75 0 - 8.4-12.6 HB ILE 7 - HG3 LYS 90 far 0 73 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 1090 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.52 A): 7 out of 33 assignments used, quality = 1.00: * HD2 LYS 24 + HG2 LYS 24 OK 94 100 100 94 2.2-3.0 3.0=63, 1.8/1121=12...(56) HD3 LYS 24 + HG2 LYS 24 OK 94 100 100 94 2.2-2.9 3.0=63, 1.8/1121=12...(56) HD2 LYS 12 + HG3 LYS 12 OK 94 98 100 95 2.6-3.0 3.0=61, 3.0/464=25...(51) HD3 LYS 12 + HG3 LYS 12 OK 94 98 100 95 2.2-2.7 3.0=61, 3.0/464=25...(50) HD3 LYS 90 + HG3 LYS 90 OK 74 79 100 94 2.2-3.0 2.9=63, 7422/7420=19...(27) HD2 LYS 73 + HG3 LYS 73 OK 69 73 100 94 2.3-3.0 3.0=63, 1.8/3298=23...(56) HD3 LYS 73 + HG3 LYS 73 OK 66 70 100 95 2.4-3.0 3.0=63, 1.8/3298=23...(62) HB3 LEU 70 - HG3 LYS 73 far 0 84 0 - 4.3-6.8 HG3 LYS 20 - HG3 LYS 90 far 0 66 0 - 4.4-9.6 HB ILE 15 - HG3 LYS 12 far 0 66 0 - 4.8-6.1 HD3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.0-9.8 HB3 ARG 91 - HG3 LYS 90 far 0 74 0 - 5.2-8.3 HG2 PRO 86 - HG3 LYS 90 far 0 79 0 - 5.2-8.3 HG LEU 70 - HG3 LYS 73 far 0 95 0 - 5.2-8.1 HD2 LYS 20 - HG3 LYS 90 far 0 69 0 - 5.6-9.0 HD2 LYS 13 - HG3 LYS 12 far 0 98 0 - 5.7-8.8 HD3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.1-8.9 HG3 LYS 20 - HG2 LYS 24 far 0 91 0 - 6.5-10.1 HD3 LYS 13 - HG3 LYS 90 far 0 77 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 78 0 - 6.9-13.4 HG12 ILE 15 - HG3 LYS 12 far 0 99 0 - 7.2-8.4 HD3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.5-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 95 0 - 8.2-12.3 HD2 LYS 20 - HG3 LYS 12 far 0 91 0 - 8.3-12.8 HD3 LYS 20 - HG2 LYS 24 far 0 91 0 - 8.5-10.7 HD2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.6-13.7 HD2 LYS 20 - HG2 LYS 24 far 0 94 0 - 8.7-11.2 HG12 ILE 15 - HG3 LYS 90 far 0 79 0 - 8.8-11.9 HB ILE 15 - HG3 LYS 90 far 0 48 0 - 8.9-12.2 HD2 LYS 33 - HG3 LYS 12 far 0 75 0 - 9.0-12.5 HD3 LYS 90 - HG2 LYS 24 far 0 100 0 - 9.6-13.0 HD3 LYS 20 - HG3 LYS 12 far 0 87 0 - 9.6-13.3 HD3 LYS 33 - HG3 LYS 12 far 0 75 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1091 from cnoeabs.peaks (1.70, 1.59, 25.00 ppm; 2.52 A): 7 out of 33 assignments used, quality = 1.00: HD2 LYS 24 + HG2 LYS 24 OK 94 100 100 94 2.2-3.0 3.0=63, 1.8/1121=12...(56) * HD3 LYS 24 + HG2 LYS 24 OK 94 100 100 94 2.2-2.9 3.0=63, 1.8/1121=12...(56) HD2 LYS 12 + HG3 LYS 12 OK 94 98 100 95 2.6-3.0 3.0=61, 3.0/464=25...(51) HD3 LYS 12 + HG3 LYS 12 OK 94 98 100 95 2.2-2.7 3.0=61, 3.0/464=25...(50) HD3 LYS 90 + HG3 LYS 90 OK 74 79 100 94 2.2-3.0 2.9=63, 7422/7420=19...(27) HD2 LYS 73 + HG3 LYS 73 OK 67 71 100 94 2.3-3.0 3.0=63, 1.8/3298=23...(56) HD3 LYS 73 + HG3 LYS 73 OK 64 68 100 95 2.4-3.0 3.0=63, 1.8/3298=23...(62) HB3 LEU 70 - HG3 LYS 73 far 0 86 0 - 4.3-6.8 HG3 LYS 20 - HG3 LYS 90 far 0 65 0 - 4.4-9.6 HB ILE 15 - HG3 LYS 12 far 0 68 0 - 4.8-6.1 HD3 LYS 20 - HG3 LYS 90 far 0 65 0 - 5.0-9.8 HB3 ARG 91 - HG3 LYS 90 far 0 73 0 - 5.2-8.3 HG2 PRO 86 - HG3 LYS 90 far 0 78 0 - 5.2-8.3 HG LEU 70 - HG3 LYS 73 far 0 96 0 - 5.2-8.1 HD2 LYS 20 - HG3 LYS 90 far 0 68 0 - 5.6-9.0 HD2 LYS 13 - HG3 LYS 12 far 0 98 0 - 5.7-8.8 HD3 LYS 13 - HG3 LYS 12 far 0 98 0 - 6.1-8.9 HG3 LYS 20 - HG2 LYS 24 far 0 90 0 - 6.5-10.1 HD3 LYS 13 - HG3 LYS 90 far 0 78 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 78 0 - 6.9-13.4 HG12 ILE 15 - HG3 LYS 12 far 0 98 0 - 7.2-8.4 HD3 LYS 24 - HG3 LYS 90 far 0 79 0 - 7.5-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 95 0 - 8.2-12.3 HD2 LYS 20 - HG3 LYS 12 far 0 90 0 - 8.3-12.8 HD3 LYS 20 - HG2 LYS 24 far 0 90 0 - 8.5-10.7 HD2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.6-13.7 HD2 LYS 20 - HG2 LYS 24 far 0 93 0 - 8.7-11.2 HG12 ILE 15 - HG3 LYS 90 far 0 79 0 - 8.8-11.9 HB ILE 15 - HG3 LYS 90 far 0 49 0 - 8.9-12.2 HD2 LYS 33 - HG3 LYS 12 far 0 77 0 - 9.0-12.5 HD3 LYS 90 - HG2 LYS 24 far 0 100 0 - 9.6-13.0 HD3 LYS 20 - HG3 LYS 12 far 0 86 0 - 9.6-13.3 HD3 LYS 33 - HG3 LYS 12 far 0 77 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 1092 from cnoeabs.peaks (2.96, 1.59, 25.00 ppm; 3.61 A): 7 out of 19 assignments used, quality = 1.00: * HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.1 3.7=92, 12306/3.7=18...(115) HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.2 3.7=92, 12306/3.7=15...(114) HE3 LYS 12 + HG3 LYS 12 OK 98 98 100 100 2.2-4.1 4.0=76, 1.8/464=71...(52) HE2 LYS 73 + HG3 LYS 73 OK 92 93 100 100 2.1-3.8 4.0=74, 3.0/3298=27...(117) HE3 LYS 73 + HG3 LYS 73 OK 89 89 100 100 2.0-3.2 4.0=74, 3.0/3298=27...(116) HE3 LYS 90 + HG3 LYS 90 OK 59 59 100 100 2.0-3.1 3.8=87, 4005/1.8=56...(28) HG2 MET 21 + HG3 LYS 90 OK 51 65 90 87 2.5-6.3 8546/4.0=30, 3955/1.8=16...(23) HB2 ASN 10 - HG3 LYS 12 far 0 66 0 - 6.3-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 70 0 - 6.3-7.3 HG2 MET 21 - HG2 LYS 24 far 0 90 0 - 6.4-9.2 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 90 far 0 79 0 - 7.5-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 78 0 - 7.5-13.7 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 8.1-10.5 HE2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.3-12.9 HB2 SER 9 - HG3 LYS 12 far 0 75 0 - 8.5-10.5 HE3 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.8-13.3 HB3 ASP 11 - HG3 LYS 90 far 0 51 0 - 9.1-12.9 HE3 LYS 90 - HG2 LYS 24 far 0 84 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 1093 from cnoeabs.peaks (2.96, 1.59, 25.00 ppm; 3.61 A): 7 out of 19 assignments used, quality = 1.00: HE2 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.1 3.7=92, 12306/3.7=18...(115) * HE3 LYS 24 + HG2 LYS 24 OK 100 100 100 100 2.0-4.2 3.7=92, 12306/3.7=15...(114) HE3 LYS 12 + HG3 LYS 12 OK 98 98 100 100 2.2-4.1 4.0=76, 1.8/464=71...(52) HE2 LYS 73 + HG3 LYS 73 OK 92 93 100 100 2.1-3.8 4.0=74, 3.0/3298=27...(117) HE3 LYS 73 + HG3 LYS 73 OK 89 89 100 100 2.0-3.2 4.0=74, 3.0/3298=27...(116) HE3 LYS 90 + HG3 LYS 90 OK 59 59 100 100 2.0-3.1 3.8=87, 4005/1.8=56...(28) HG2 MET 21 + HG3 LYS 90 OK 51 65 90 87 2.5-6.3 8546/4.0=30, 3955/1.8=16...(23) HB2 ASN 10 - HG3 LYS 12 far 0 66 0 - 6.3-10.1 HB3 ASP 11 - HG3 LYS 12 far 0 70 0 - 6.3-7.3 HG2 MET 21 - HG2 LYS 24 far 0 90 0 - 6.4-9.2 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 90 far 0 79 0 - 7.5-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 78 0 - 7.5-13.7 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 8.1-10.5 HE2 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.3-12.9 HB2 SER 9 - HG3 LYS 12 far 0 75 0 - 8.5-10.5 HE3 LYS 24 - HG3 LYS 90 far 0 79 0 - 8.8-13.3 HB3 ASP 11 - HG3 LYS 90 far 0 51 0 - 9.1-12.9 HE3 LYS 90 - HG2 LYS 24 far 0 84 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 1094 from cnoeabs.peaks (7.71, 1.59, 25.00 ppm; 4.95 A): 3 out of 6 assignments used, quality = 1.00: * H ALA 25 + HG2 LYS 24 OK 100 100 100 100 3.5-4.6 6397/6385=82...(20) H MET 74 + HG3 LYS 73 OK 58 58 100 99 3.9-5.1 4.7/7208=64, 3.6/3232=54...(15) H MET 21 + HG3 LYS 90 OK 33 59 70 81 4.0-7.2 8550/4.0=40, 10441=18...(15) H MET 21 - HG2 LYS 24 far 8 84 10 - 5.9-8.3 H SER 85 - HG3 LYS 90 far 0 65 0 - 7.8-11.2 H ALA 25 - HG3 LYS 90 far 0 79 0 - 8.9-11.7 Violated in 0 structures by 0.00 A. Peak 1095 from cnoeabs.peaks (7.57, 1.51, 25.00 ppm; 4.35 A): 3 out of 7 assignments used, quality = 1.00: * H LYS 24 + HG3 LYS 24 OK 100 100 100 100 3.5-4.7 6385/1.8=88, 3.0/1096=78...(25) H LEU 14 + HG3 LYS 13 OK 84 84 100 100 2.4-3.5 3.6/486=69, 6182/6177=64...(25) H GLU 44 + HG2 LYS 47 OK 26 65 40 98 4.4-8.8 3.0/12088=61, ~12089=43...(21) HD22 ASN 10 - HG3 LYS 33 far 0 66 0 - 7.4-11.7 H ILE 76 - HG2 LYS 73 far 0 85 0 - 7.6-8.5 H GLU 88 - HG3 LYS 13 far 0 96 0 - 9.2-11.1 HD22 ASN 10 - HG3 LYS 13 far 0 67 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 1096 from cnoeabs.peaks (4.10, 1.51, 25.00 ppm; 3.51 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.7-3.9 3.7=87, 1053/1.8=42...(45) HA ARG 46 - HG2 LYS 47 far 0 67 0 - 5.3-7.2 HA PRO 86 - HG3 LYS 13 far 0 94 0 - 5.7-7.4 HA LYS 66 - HG2 LYS 73 far 0 75 0 - 7.4-9.6 Violated in 12 structures by 0.18 A. Peak 1097 from cnoeabs.peaks (1.96, 1.51, 25.00 ppm; 2.86 A): 7 out of 20 assignments used, quality = 1.00: * HB2 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.2-3.0 2.9=92, 3.0/1096=35...(70) HB3 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.4-3.0 2.9=92, 3.0/1096=35...(70) HB2 LYS 73 + HG2 LYS 73 OK 89 90 100 99 2.3-3.0 2.9=93, 3.0/3231=23...(67) HB3 LYS 73 + HG2 LYS 73 OK 89 89 100 99 2.5-3.0 2.9=93, 3.0/3231=23...(66) HB2 LYS 47 + HG2 LYS 47 OK 87 88 100 99 2.3-3.0 3.0=90, 2134/6772=26...(63) HB3 LYS 47 + HG2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=90, 3.0/2126=23...(71) HB2 GLU 37 + HG3 LYS 33 OK 31 90 65 53 2.9-4.7 8752/6535=20...(9) HB2 ARG 46 - HG2 LYS 47 poor 6 84 25 27 3.5-7.4 4.7/6772=18, 6782/6784=4...(5) HB3 ARG 46 - HG2 LYS 47 far 4 88 5 - 3.9-7.0 QE MET 74 - HG2 LYS 73 far 2 48 5 - 4.3-6.7 HB3 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.4-8.4 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 4.9-5.4 HB2 GLU 44 - HG2 LYS 47 far 0 48 0 - 5.0-9.2 HB3 LYS 20 - HG3 LYS 24 far 0 81 0 - 5.5-7.6 HB3 MET 74 - HG2 LYS 73 far 0 90 0 - 6.3-8.2 HB2 GLU 17 - HG3 LYS 13 far 0 84 0 - 7.0-9.5 QE MET 74 - HG2 LYS 47 far 0 47 0 - 7.3-10.4 HB3 MET 74 - HG2 LYS 47 far 0 89 0 - 7.8-11.5 HG3 GLU 88 - HG3 LYS 13 far 0 87 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 91 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1098 from cnoeabs.peaks (1.96, 1.51, 25.00 ppm; 2.86 A): 7 out of 20 assignments used, quality = 1.00: HB2 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.2-3.0 2.9=92, 3.0/1096=35...(70) * HB3 LYS 24 + HG3 LYS 24 OK 99 100 100 99 2.4-3.0 2.9=92, 3.0/1096=35...(70) HB2 LYS 73 + HG2 LYS 73 OK 89 90 100 99 2.3-3.0 2.9=93, 3.0/3231=23...(67) HB3 LYS 73 + HG2 LYS 73 OK 89 89 100 99 2.5-3.0 2.9=93, 3.0/3231=23...(66) HB2 LYS 47 + HG2 LYS 47 OK 87 88 100 99 2.3-3.0 3.0=90, 2134/6772=26...(63) HB3 LYS 47 + HG2 LYS 47 OK 48 48 100 99 2.3-3.0 3.0=90, 3.0/2126=23...(71) HB2 GLU 37 + HG3 LYS 33 OK 31 90 65 53 2.9-4.7 8752/6535=20...(9) HB2 ARG 46 - HG2 LYS 47 poor 6 84 25 27 3.5-7.4 4.7/6772=18, 6782/6784=4...(5) HB3 ARG 46 - HG2 LYS 47 far 4 88 5 - 3.9-7.0 QE MET 74 - HG2 LYS 73 far 2 48 5 - 4.3-6.7 HB3 GLU 44 - HG2 LYS 47 far 0 48 0 - 4.4-8.4 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 4.9-5.4 HB2 GLU 44 - HG2 LYS 47 far 0 48 0 - 5.0-9.2 HB3 LYS 20 - HG3 LYS 24 far 0 81 0 - 5.5-7.6 HB3 MET 74 - HG2 LYS 73 far 0 90 0 - 6.3-8.2 HB2 GLU 17 - HG3 LYS 13 far 0 84 0 - 7.0-9.5 QE MET 74 - HG2 LYS 47 far 0 47 0 - 7.3-10.4 HB3 MET 74 - HG2 LYS 47 far 0 89 0 - 7.8-11.5 HG3 GLU 88 - HG3 LYS 13 far 0 87 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 91 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 1099 from cnoeabs.peaks (1.59, 1.51, 25.00 ppm; 2.40 A): 4 out of 13 assignments used, quality = 1.00: * HG2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 + HG2 LYS 73 OK 86 86 100 100 1.8-1.8 1.8=100 HG2 LYS 33 + HG3 LYS 33 OK 55 55 100 100 1.8-1.8 1.8=100 HG3 LYS 47 + HG2 LYS 47 OK 52 52 100 100 1.8-1.8 1.8=100 HD2 LYS 94 - HG3 LYS 24 far 0 61 0 - 5.1-8.9 HD3 LYS 94 - HG3 LYS 24 far 0 98 0 - 5.1-9.7 HG3 LYS 12 - HG3 LYS 13 far 0 95 0 - 5.6-7.8 HG LEU 27 - HG3 LYS 24 far 0 98 0 - 6.1-9.2 HB2 ARG 30 - HG3 LYS 33 far 0 88 0 - 7.3-10.0 HG3 LYS 90 - HG3 LYS 24 far 0 100 0 - 8.2-12.4 HG3 LYS 90 - HG3 LYS 13 far 0 96 0 - 8.4-12.6 HD2 LYS 66 - HG2 LYS 73 far 0 84 0 - 9.5-12.5 HB3 LEU 29 - HG3 LYS 24 far 0 99 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 1100 from cnoeabs.peaks (1.51, 1.51, 25.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 24 + HG3 LYS 24 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 95 95 - 100 HG3 LYS 13 + HG3 LYS 13 OK 94 94 - 100 HG2 LYS 73 + HG2 LYS 73 OK 83 83 - 100 HG2 LYS 47 + HG2 LYS 47 OK 80 80 - 100 Peak 1101 from cnoeabs.peaks (1.70, 1.51, 25.00 ppm; 2.48 A): 10 out of 29 assignments used, quality = 1.00: HD3 LYS 24 + HG3 LYS 24 OK 93 100 100 93 2.6-3.0 3.0=59, 4.9/1096=12...(50) * HD2 LYS 24 + HG3 LYS 24 OK 93 100 100 93 2.2-3.0 3.0=59, 4.9/1096=12...(49) HD2 LYS 13 + HG3 LYS 13 OK 86 96 100 90 2.4-3.0 3.0=59, 487/486=11...(47) HD3 LYS 13 + HG3 LYS 13 OK 86 95 100 90 2.4-3.0 3.0=59, 487/486=10...(47) HD3 LYS 47 + HG2 LYS 47 OK 78 83 100 94 2.3-3.0 3.0=58, 2195/1.8=10...(68) HD2 LYS 47 + HG2 LYS 47 OK 77 82 100 94 2.3-3.0 3.0=58, 2195/1.8=10...(67) HD3 LYS 33 + HG3 LYS 33 OK 67 71 100 94 2.2-2.6 3.0=59, 1483/1.8=14...(46) HD2 LYS 33 + HG3 LYS 33 OK 67 71 100 94 2.7-3.0 3.0=59, 1483/1.8=14...(46) HD2 LYS 73 + HG2 LYS 73 OK 62 67 100 93 2.3-3.0 3.0=59, 3298/1.8=16...(51) HD3 LYS 73 + HG2 LYS 73 OK 60 64 100 94 2.5-3.0 3.0=59, 3298/1.8=16...(59) HG2 PRO 86 - HG3 LYS 13 far 0 96 0 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 78 0 - 4.5-6.5 HG LEU 70 - HG2 LYS 73 far 0 90 0 - 5.7-7.5 HG3 LYS 20 - HG3 LYS 24 far 0 91 0 - 6.2-9.8 HD3 LYS 12 - HG3 LYS 13 far 0 96 0 - 7.1-9.6 HB ILE 15 - HG3 LYS 13 far 0 63 0 - 7.1-7.5 HD2 LYS 12 - HG3 LYS 13 far 0 96 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 91 0 - 7.3-11.3 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 92 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 89 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 94 0 - 8.2-11.1 HD3 LYS 90 - HG3 LYS 13 far 0 97 0 - 8.3-12.4 HB ILE 52 - HG2 LYS 47 far 0 70 0 - 9.0-12.4 HD3 LYS 90 - HG3 LYS 24 far 0 100 0 - 9.1-13.1 HG12 ILE 15 - HG3 LYS 33 far 0 96 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 95 0 - 9.7-13.2 HD2 LYS 20 - HG3 LYS 13 far 0 88 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 95 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1102 from cnoeabs.peaks (1.70, 1.51, 25.00 ppm; 2.48 A): 10 out of 29 assignments used, quality = 1.00: HD2 LYS 24 + HG3 LYS 24 OK 93 100 100 93 2.2-3.0 3.0=59, 4.9/1096=12...(50) * HD3 LYS 24 + HG3 LYS 24 OK 93 100 100 93 2.6-3.0 3.0=59, 4.9/1096=12...(50) HD2 LYS 13 + HG3 LYS 13 OK 87 96 100 90 2.4-3.0 3.0=59, 487/486=11...(47) HD3 LYS 13 + HG3 LYS 13 OK 86 96 100 90 2.4-3.0 3.0=59, 487/486=10...(47) HD3 LYS 47 + HG2 LYS 47 OK 77 82 100 94 2.3-3.0 3.0=58, 2195/1.8=10...(68) HD2 LYS 47 + HG2 LYS 47 OK 76 81 100 94 2.3-3.0 3.0=58, 2195/1.8=10...(67) HD3 LYS 33 + HG3 LYS 33 OK 68 73 100 94 2.2-2.6 3.0=59, 1483/1.8=15...(46) HD2 LYS 33 + HG3 LYS 33 OK 68 73 100 94 2.7-3.0 3.0=59, 1483/1.8=15...(46) HD2 LYS 73 + HG2 LYS 73 OK 61 65 100 93 2.3-3.0 3.0=59, 3298/1.8=15...(51) HD3 LYS 73 + HG2 LYS 73 OK 58 62 100 94 2.5-3.0 3.0=59, 3298/1.8=15...(59) HG2 PRO 86 - HG3 LYS 13 far 0 96 0 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 80 0 - 4.5-6.5 HG LEU 70 - HG2 LYS 73 far 0 90 0 - 5.7-7.5 HG3 LYS 20 - HG3 LYS 24 far 0 90 0 - 6.2-9.8 HD3 LYS 12 - HG3 LYS 13 far 0 96 0 - 7.1-9.6 HB ILE 15 - HG3 LYS 13 far 0 65 0 - 7.1-7.5 HD2 LYS 12 - HG3 LYS 13 far 0 96 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 90 0 - 7.3-11.3 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 91 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 90 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 93 0 - 8.2-11.1 HD3 LYS 90 - HG3 LYS 13 far 0 97 0 - 8.3-12.4 HB ILE 52 - HG2 LYS 47 far 0 69 0 - 9.0-12.4 HD3 LYS 90 - HG3 LYS 24 far 0 100 0 - 9.1-13.1 HG12 ILE 15 - HG3 LYS 33 far 0 95 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 95 0 - 9.7-13.2 HD2 LYS 20 - HG3 LYS 13 far 0 87 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 95 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1103 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.48 A): 9 out of 19 assignments used, quality = 1.00: * HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-3.9 3.7=82, 6.2/1096=17...(107) HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.9 3.7=82, 6.2/1096=17...(106) HE2 LYS 13 + HG3 LYS 13 OK 96 96 100 99 2.1-3.6 3.8=75, 474/1.8=22...(74) HE3 LYS 13 + HG3 LYS 13 OK 95 96 100 99 2.0-3.6 3.8=75, 565/1.8=21...(74) HE2 LYS 73 + HG2 LYS 73 OK 86 87 100 100 2.1-4.0 4.0=66, 3.0/3297=15...(112) HE2 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.4-4.0 3.8=78, 2206/1.8=17...(125) HE3 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.3-3.8 3.8=78, 2206/1.8=17...(125) HE3 LYS 73 + HG2 LYS 73 OK 82 83 100 100 2.2-3.7 4.0=66, 3.0/3297=15...(109) HB3 ASP 11 + HG3 LYS 13 OK 37 67 100 56 2.9-4.2 1.8/8363=17, 8365/3.0=9...(11) HB3 PHE 45 - HG2 LYS 47 far 0 88 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 75 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 90 0 - 6.7-8.8 HB2 SER 9 - HG3 LYS 13 far 0 72 0 - 7.0-9.4 HE3 LYS 90 - HG3 LYS 13 far 0 77 0 - 7.9-12.9 HB2 ASN 10 - HG3 LYS 13 far 0 63 0 - 8.0-9.5 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 8.6-10.0 HE3 LYS 12 - HG3 LYS 33 far 0 95 0 - 9.0-14.0 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 9.2-13.2 HB2 ASN 10 - HG3 LYS 33 far 0 62 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1104 from cnoeabs.peaks (2.96, 1.51, 25.00 ppm; 3.48 A): 9 out of 19 assignments used, quality = 1.00: HE2 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.0-3.9 3.7=82, 6.2/1096=17...(107) * HE3 LYS 24 + HG3 LYS 24 OK 100 100 100 100 2.2-3.9 3.7=82, 6.2/1096=17...(106) HE2 LYS 13 + HG3 LYS 13 OK 96 96 100 99 2.1-3.6 3.8=75, 474/1.8=22...(74) HE3 LYS 13 + HG3 LYS 13 OK 95 96 100 99 2.0-3.6 3.8=75, 565/1.8=21...(74) HE2 LYS 73 + HG2 LYS 73 OK 86 87 100 100 2.1-4.0 4.0=66, 3.0/3297=15...(112) HE2 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.4-4.0 3.8=78, 2206/1.8=17...(125) HE3 LYS 47 + HG2 LYS 47 OK 84 84 100 100 2.3-3.8 3.8=78, 2206/1.8=17...(125) HE3 LYS 73 + HG2 LYS 73 OK 82 83 100 100 2.2-3.7 4.0=66, 3.0/3297=15...(109) HB3 ASP 11 + HG3 LYS 13 OK 37 67 100 56 2.9-4.2 1.8/8363=17, 8365/3.0=9...(11) HB3 PHE 45 - HG2 LYS 47 far 0 88 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 75 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 90 0 - 6.7-8.8 HB2 SER 9 - HG3 LYS 13 far 0 72 0 - 7.0-9.4 HE3 LYS 90 - HG3 LYS 13 far 0 77 0 - 7.9-12.9 HB2 ASN 10 - HG3 LYS 13 far 0 63 0 - 8.0-9.5 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 8.6-10.0 HE3 LYS 12 - HG3 LYS 33 far 0 95 0 - 9.0-14.0 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 9.2-13.2 HB2 ASN 10 - HG3 LYS 33 far 0 62 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1105 from cnoeabs.peaks (7.71, 1.51, 25.00 ppm; 5.15 A): 4 out of 6 assignments used, quality = 1.00: * H ALA 25 + HG3 LYS 24 OK 100 100 100 100 2.7-5.2 6402=100, 3.6/1096=85...(18) H GLU 37 + HG3 LYS 33 OK 60 68 100 88 5.1-6.3 8770/6535=47...(11) H MET 74 + HG2 LYS 73 OK 53 53 100 99 4.2-4.9 4.7/7207=61, 3.6/3231=52...(14) H SER 49 + HG2 LYS 47 OK 34 82 55 76 6.1-7.7 6795/6784=62...(5) H MET 21 - HG3 LYS 24 far 8 84 10 - 6.3-8.0 H SER 85 - HG3 LYS 13 far 0 83 0 - 7.8-9.9 Violated in 0 structures by 0.00 A. Peak 1106 from cnoeabs.peaks (7.57, 1.70, 28.90 ppm; 4.46 A): 5 out of 22 assignments used, quality = 1.00: H LYS 24 + HD3 LYS 24 OK 100 100 100 100 4.2-5.7 6385/3.0=74, 1061/3.6=39...(27) * H LYS 24 + HD2 LYS 24 OK 100 100 100 100 4.1-5.7 6385/3.0=74, 1061/3.6=39...(27) H LEU 14 + HD2 LYS 13 OK 88 89 100 99 2.1-4.4 6191/3.0=52, 6192/3.0=36...(27) H LEU 14 + HD3 LYS 13 OK 87 88 100 99 2.2-4.2 6191/3.0=52, 6192/3.0=36...(27) H GLU 44 + HD3 LYS 47 OK 30 36 85 97 4.7-7.9 ~12088=34, 3.0/12090=34...(19) H GLU 44 - HD2 LYS 47 poor 11 35 30 - 4.5-7.8 H GLU 88 - HB3 ARG 91 far 8 55 15 - 4.3-6.2 H LEU 14 - HD2 LYS 12 far 8 79 10 - 5.8-7.6 HD22 ASN 10 - HD3 LYS 12 far 6 62 10 - 4.9-12.5 HD22 ASN 10 - HD2 LYS 12 far 6 62 10 - 5.9-11.2 HD22 ASN 10 - HD2 LYS 33 far 4 26 15 - 5.1-9.3 H LEU 14 - HD3 LYS 12 far 0 79 0 - 6.4-8.5 HD22 ASN 10 - HD3 LYS 33 far 0 26 0 - 6.4-10.8 H LYS 24 - HD3 LYS 20 far 0 56 0 - 7.4-8.8 H LYS 24 - HD2 LYS 20 far 0 62 0 - 7.5-8.7 H GLU 88 - HD3 LYS 13 far 0 99 0 - 7.6-12.1 H GLU 88 - HD2 LYS 13 far 0 99 0 - 7.7-12.6 H LEU 14 - HD2 LYS 20 far 0 50 0 - 8.2-10.2 H LEU 14 - HD3 LYS 20 far 0 46 0 - 8.2-11.0 HD22 ASN 10 - HD3 LYS 13 far 0 70 0 - 8.8-12.5 H ILE 76 - HD2 LYS 73 far 0 58 0 - 9.3-9.8 HD22 ASN 10 - HD2 LYS 13 far 0 72 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 1107 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 3.65 A): 4 out of 14 assignments used, quality = 1.00: HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-4.9 1096/3.0=59, 4.9=40...(76) * HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.3-4.7 1096/3.0=59, 4.9=40...(76) HA PRO 86 + HD2 LYS 13 OK 67 97 85 80 3.8-8.7 3810=14, ~10957=14...(23) HA PRO 86 + HD3 LYS 13 OK 62 96 80 80 3.8-8.7 3810=14, ~10957=14...(25) HA GLU 104 - HB3 ARG 91 far 0 41 0 - 5.8-17.1 HA ARG 46 - HD3 LYS 47 far 0 37 0 - 6.8-8.2 HA LYS 66 - HD2 LYS 73 far 0 49 0 - 7.0-9.6 HA ARG 46 - HD2 LYS 47 far 0 36 0 - 7.2-8.6 HA PRO 86 - HB3 ARG 91 far 0 52 0 - 7.5-9.3 HA PRO 86 - HD2 LYS 20 far 0 58 0 - 8.0-10.9 HA PRO 86 - HD3 LYS 20 far 0 53 0 - 8.2-11.4 HA LYS 24 - HD3 LYS 20 far 0 56 0 - 8.7-10.6 HA LYS 24 - HD2 LYS 20 far 0 62 0 - 9.0-10.6 HA PRO 86 - HD2 LYS 12 far 0 88 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 1108 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.87 A): 12 out of 52 assignments used, quality = 1.00: HB3 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.2-3.6 3.6=52, ~1096=11...(110) HB2 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.1-4.2 3.6=52, ~1096=11...(110) HB3 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.2-4.2 3.6=52, 3.0/1055=12...(110) * HB2 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.0-3.7 3.6=52, 3.0/1055=12...(110) HB2 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.9-3.3 3.6=51, 3.0/3233=8...(127) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.4-3.4 3.6=51, 3.0/3233=8...(124) HB2 LYS 47 + HD3 LYS 47 OK 51 52 100 98 2.2-3.7 3.9=38, 2134/6775=13...(101) HB2 LYS 47 + HD2 LYS 47 OK 50 51 100 98 2.6-3.9 3.9=38, 2134/6775=13...(101) HB3 LYS 20 + HD2 LYS 20 OK 41 43 100 95 3.3-4.1 3.5=54, ~848=9...(68) HB3 LYS 20 + HD3 LYS 20 OK 37 39 100 95 2.7-4.1 3.5=54, ~848=9...(68) HB3 LYS 47 + HD3 LYS 47 OK 25 26 100 98 2.1-3.8 3.9=38, 4.0/6775=11...(113) HB3 LYS 47 + HD2 LYS 47 OK 25 25 100 98 2.5-3.9 3.9=38, 4.0/6775=11...(113) HB2 GLU 17 - HD2 LYS 20 far 8 50 15 - 3.4-6.6 HB3 ARG 19 - HD2 LYS 20 poor 7 37 20 - 3.8-7.2 HB3 GLU 44 - HD3 LYS 47 poor 5 26 20 - 3.9-7.3 HB3 LYS 20 - HD3 LYS 24 far 4 81 5 - 4.4-8.9 HB3 GLU 44 - HD2 LYS 47 far 4 25 15 - 3.9-7.8 HB2 GLU 44 - HD3 LYS 47 far 3 26 10 - 3.5-8.4 HB2 GLU 37 - HD3 LYS 33 far 2 39 5 - 3.8-7.1 HB2 GLU 44 - HD2 LYS 47 far 1 25 5 - 4.3-8.2 HB2 GLU 17 - HD3 LYS 20 far 0 46 0 - 4.4-6.7 QE MET 74 - HD2 LYS 73 far 0 30 0 - 4.5-6.6 HB2 GLU 17 - HD3 LYS 13 far 0 88 0 - 4.6-10.5 HB2 GLU 17 - HD2 LYS 13 far 0 89 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 34 0 - 4.9-5.5 HB2 GLU 37 - HD2 LYS 33 far 0 39 0 - 5.0-7.7 HB VAL 32 - HD2 LYS 33 far 0 34 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 33 0 - 5.1-7.3 HB2 ARG 46 - HD2 LYS 47 far 0 48 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.5-8.2 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.7-9.0 HB3 ARG 19 - HD2 LYS 12 far 0 60 0 - 6.7-10.6 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.0-10.8 HB2 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.1-9.1 QE MET 74 - HD3 LYS 47 far 0 25 0 - 7.2-10.4 HB3 MET 74 - HD2 LYS 73 far 0 63 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.3-9.5 HB3 ARG 19 - HD3 LYS 12 far 0 60 0 - 7.4-12.4 HB3 MET 74 - HD2 LYS 47 far 0 52 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 53 0 - 8.3-11.4 HG3 GLU 88 - HD2 LYS 13 far 0 91 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 79 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 90 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 79 0 - 8.8-13.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 9.5-13.9 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1109 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.87 A): 12 out of 52 assignments used, quality = 1.00: HB3 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.2-3.6 3.6=52, ~1096=11...(110) HB2 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.1-4.2 3.6=52, ~1096=11...(110) * HB3 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.2-4.2 3.6=52, 3.0/1055=12...(110) HB2 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.0-3.7 3.6=52, 3.0/1055=12...(110) HB2 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.9-3.3 3.6=51, 3.0/3233=8...(127) HB3 LYS 73 + HD2 LYS 73 OK 61 62 100 98 2.4-3.4 3.6=51, 3.0/3233=8...(124) HB2 LYS 47 + HD3 LYS 47 OK 51 52 100 98 2.2-3.7 3.9=38, 2134/6775=13...(101) HB2 LYS 47 + HD2 LYS 47 OK 50 51 100 98 2.6-3.9 3.9=38, 2134/6775=13...(101) HB3 LYS 20 + HD2 LYS 20 OK 41 43 100 95 3.3-4.1 3.5=54, ~848=9...(68) HB3 LYS 20 + HD3 LYS 20 OK 37 39 100 95 2.7-4.1 3.5=54, ~848=9...(68) HB3 LYS 47 + HD3 LYS 47 OK 25 26 100 98 2.1-3.8 3.9=38, 4.0/6775=11...(113) HB3 LYS 47 + HD2 LYS 47 OK 25 25 100 98 2.5-3.9 3.9=38, 4.0/6775=11...(113) HB2 GLU 17 - HD2 LYS 20 far 8 50 15 - 3.4-6.6 HB3 ARG 19 - HD2 LYS 20 poor 7 37 20 - 3.8-7.2 HB3 GLU 44 - HD3 LYS 47 poor 5 26 20 - 3.9-7.3 HB3 LYS 20 - HD3 LYS 24 far 4 81 5 - 4.4-8.9 HB3 GLU 44 - HD2 LYS 47 far 4 25 15 - 3.9-7.8 HB2 GLU 44 - HD3 LYS 47 far 3 26 10 - 3.5-8.4 HB2 GLU 37 - HD3 LYS 33 far 2 39 5 - 3.8-7.1 HB2 GLU 44 - HD2 LYS 47 far 1 25 5 - 4.3-8.2 HB2 GLU 17 - HD3 LYS 20 far 0 46 0 - 4.4-6.7 QE MET 74 - HD2 LYS 73 far 0 30 0 - 4.5-6.6 HB2 GLU 17 - HD3 LYS 13 far 0 88 0 - 4.6-10.5 HB2 GLU 17 - HD2 LYS 13 far 0 89 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 34 0 - 4.9-5.5 HB2 GLU 37 - HD2 LYS 33 far 0 39 0 - 5.0-7.7 HB VAL 32 - HD2 LYS 33 far 0 34 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 33 0 - 5.1-7.3 HB2 ARG 46 - HD2 LYS 47 far 0 48 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.5-8.2 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 56 0 - 6.7-9.0 HB3 ARG 19 - HD2 LYS 12 far 0 60 0 - 6.7-10.6 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.0-10.8 HB2 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.1-9.1 QE MET 74 - HD3 LYS 47 far 0 25 0 - 7.2-10.4 HB3 MET 74 - HD2 LYS 73 far 0 63 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 62 0 - 7.3-9.5 HB3 ARG 19 - HD3 LYS 12 far 0 60 0 - 7.4-12.4 HB3 MET 74 - HD2 LYS 47 far 0 52 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 53 0 - 8.3-11.4 HG3 GLU 88 - HD2 LYS 13 far 0 91 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 79 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 90 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 79 0 - 8.8-13.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 9.5-13.9 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1110 from cnoeabs.peaks (1.59, 1.70, 28.90 ppm; 2.40 A): 7 out of 50 assignments used, quality = 1.00: HG2 LYS 24 + HD3 LYS 24 OK 90 100 100 90 2.2-2.9 3.0=54, 1091/1.8=9...(48) * HG2 LYS 24 + HD2 LYS 24 OK 90 100 100 90 2.2-3.0 3.0=54, 1091/1.8=9...(47) HG3 LYS 12 + HD2 LYS 12 OK 83 90 100 93 2.6-3.0 3.0=52, 464/3.0=22...(43) HG3 LYS 12 + HD3 LYS 12 OK 83 90 100 92 2.2-2.7 3.0=52, 464/3.0=22...(42) HG3 LYS 73 + HD2 LYS 73 OK 52 59 100 89 2.3-3.0 3.0=54, 3278/1.8=9...(52) HG3 LYS 47 + HD3 LYS 47 OK 25 28 100 90 2.3-3.0 3.0=53, 1.8/2164=7...(59) HG3 LYS 47 + HD2 LYS 47 OK 24 27 100 90 2.3-3.0 3.0=53, 1.8/2164=7...(58) HG2 LYS 33 - HD2 LYS 33 poor 18 21 100 86 2.3-2.9 3.0=53, 1.8/2926=10...(41) HG2 LYS 33 - HD3 LYS 33 poor 18 21 100 86 2.7-3.0 3.0=53, 1.8/2926=10...(41) HG2 ARG 19 - HD3 LYS 20 far 0 56 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 51 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 62 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 27 0 - 4.3-8.9 HG3 LYS 90 - HD3 LYS 20 far 0 56 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 55 0 - 5.2-8.3 HG3 LYS 90 - HD2 LYS 20 far 0 62 0 - 5.6-9.0 HD2 LYS 94 - HD2 LYS 24 far 0 61 0 - 5.6-10.7 HG3 LYS 12 - HD2 LYS 13 far 0 99 0 - 5.7-8.8 HD3 LYS 94 - HD3 LYS 24 far 0 98 0 - 5.8-12.1 HD2 LYS 94 - HD3 LYS 24 far 0 61 0 - 5.8-11.2 HD3 LYS 94 - HD2 LYS 24 far 0 98 0 - 5.9-11.7 HG3 LYS 12 - HD3 LYS 13 far 0 98 0 - 6.1-8.9 HB2 ARG 30 - HD3 LYS 33 far 0 38 0 - 6.3-8.9 HG LEU 27 - HD2 LYS 24 far 0 98 0 - 6.5-9.9 HG3 LYS 90 - HD3 LYS 13 far 0 99 0 - 6.7-14.1 HG LEU 27 - HD3 LYS 24 far 0 98 0 - 6.8-9.5 HG3 LYS 90 - HD2 LYS 13 far 0 99 0 - 6.9-13.4 HG3 LYS 90 - HD3 LYS 24 far 0 100 0 - 7.5-13.4 HB2 ARG 30 - HD2 LYS 33 far 0 38 0 - 7.5-10.3 HG2 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.6-10.5 HD2 LYS 66 - HD2 LYS 73 far 0 57 0 - 8.2-12.0 HG3 LYS 12 - HD2 LYS 20 far 0 60 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 55 0 - 8.4-18.4 HB3 LEU 29 - HD2 LYS 20 far 0 59 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 56 0 - 8.5-10.7 HG3 LYS 90 - HD2 LYS 24 far 0 100 0 - 8.6-13.7 HG2 LYS 24 - HD2 LYS 20 far 0 62 0 - 8.7-11.2 HG2 ARG 19 - HD3 LYS 12 far 0 92 0 - 8.9-11.9 HG3 LYS 12 - HD2 LYS 33 far 0 42 0 - 9.0-12.5 HB3 LEU 29 - HD3 LYS 20 far 0 54 0 - 9.2-10.9 HG2 LYS 33 - HD2 LYS 12 far 0 51 0 - 9.2-12.7 HG2 LYS 33 - HD3 LYS 12 far 0 51 0 - 9.2-14.2 HG LEU 103 - HB3 ARG 91 far 0 54 0 - 9.3-19.5 HD2 LYS 94 - HD3 LYS 20 far 0 28 0 - 9.4-13.3 HG3 LYS 12 - HD3 LYS 20 far 0 55 0 - 9.6-13.3 HD3 LYS 94 - HD3 LYS 20 far 0 53 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 31 0 - 9.8-13.6 HB3 LEU 29 - HD2 LYS 24 far 0 99 0 - 9.9-12.9 HG3 LYS 12 - HD3 LYS 33 far 0 42 0 - 9.9-13.3 HG2 ARG 19 - HD3 LYS 13 far 0 99 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1111 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.46 A): 12 out of 36 assignments used, quality = 1.00: HG3 LYS 24 + HD3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=58, 1096/4.9=12...(38) * HG3 LYS 24 + HD2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=58, 1096/4.9=12...(38) HG3 LYS 13 + HD2 LYS 13 OK 88 97 100 90 2.4-3.0 3.0=58, 486/487=11...(37) HG3 LYS 13 + HD3 LYS 13 OK 87 96 100 90 2.4-3.0 3.0=58, 1.8/524=10...(37) HG2 LYS 73 + HD2 LYS 73 OK 51 56 100 91 2.3-3.0 3.0=58, 3267/1.8=8...(51) HB2 ARG 91 + HB3 ARG 91 OK 44 44 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 43 46 100 93 2.3-3.0 3.0=57, 1.8/2175=12...(57) HG2 LYS 47 + HD2 LYS 47 OK 42 45 100 93 2.3-3.0 3.0=57, 1.8/2175=12...(57) HG3 LYS 33 + HD3 LYS 33 OK 39 43 100 89 2.2-2.6 3.0=58, 1506/3.0=12...(37) HG3 LYS 33 + HD2 LYS 33 OK 39 43 100 89 2.7-3.0 3.0=58, 1506/3.0=12...(37) HB2 LEU 14 + HD3 LYS 13 OK 37 95 85 47 2.9-6.2 245/3.0=7, 3.1/10406=5...(23) HB2 LEU 14 + HD2 LYS 13 OK 37 96 85 46 2.7-6.8 245/3.0=7, 3.1/10406=5...(22) HB3 LEU 103 - HB3 ARG 91 far 0 49 0 - 6.8-18.2 HG3 LYS 13 - HD3 LYS 12 far 0 88 0 - 7.1-9.6 HG3 LYS 13 - HD2 LYS 12 far 0 88 0 - 7.2-9.2 HG3 LYS 66 - HD2 LYS 73 far 0 57 0 - 7.3-12.3 HG3 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 53 0 - 7.3-9.3 HG LEU 6 - HD3 LYS 33 far 0 38 0 - 7.5-11.9 HG3 LYS 24 - HD2 LYS 20 far 0 62 0 - 8.2-11.1 HB ILE 7 - HD3 LYS 33 far 0 40 0 - 8.2-9.8 HB2 LEU 14 - HD2 LYS 12 far 0 86 0 - 8.4-10.2 HB ILE 7 - HD2 LYS 33 far 0 40 0 - 8.7-11.2 HG LEU 6 - HD2 LYS 33 far 0 38 0 - 8.8-13.4 HG2 LYS 66 - HD2 LYS 73 far 0 55 0 - 8.9-12.0 HB2 LEU 14 - HD3 LYS 20 far 0 51 0 - 9.0-11.5 HB2 LEU 14 - HD2 LYS 20 far 0 56 0 - 9.1-11.1 HG3 ARG 30 - HD3 LYS 33 far 0 34 0 - 9.1-11.4 HB2 LEU 14 - HD3 LYS 12 far 0 86 0 - 9.1-11.3 HB ILE 7 - HD2 LYS 12 far 0 86 0 - 9.4-10.7 HB2 LEU 14 - HB3 ARG 91 far 0 50 0 - 9.4-12.0 HG3 LYS 33 - HD2 LYS 12 far 0 91 0 - 9.7-13.2 HG3 LYS 66 - HD3 LYS 33 far 0 39 0 - 9.8-12.6 HB ILE 7 - HD2 LYS 20 far 0 56 0 - 9.9-11.5 HG3 LYS 13 - HD2 LYS 20 far 0 58 0 - 9.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 91 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1112 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: * HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD3 LYS 13 + HD3 LYS 13 OK 98 98 - 100 HD2 LYS 12 + HD2 LYS 12 OK 91 91 - 100 HD3 LYS 12 + HD3 LYS 12 OK 91 91 - 100 HD2 LYS 20 + HD2 LYS 20 OK 53 53 - 100 HB3 ARG 91 + HB3 ARG 91 OK 51 51 - 100 HD3 LYS 47 + HD3 LYS 47 OK 48 48 - 100 HD2 LYS 47 + HD2 LYS 47 OK 46 46 - 100 HD3 LYS 20 + HD3 LYS 20 OK 46 46 - 100 HD2 LYS 73 + HD2 LYS 73 OK 44 44 - 100 HD2 LYS 33 + HD2 LYS 33 OK 29 29 - 100 HD3 LYS 33 + HD3 LYS 33 OK 29 29 - 100 Peak 1113 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD3 LYS 13 + HD3 LYS 13 OK 98 98 - 100 HD2 LYS 12 + HD2 LYS 12 OK 91 91 - 100 HD3 LYS 12 + HD3 LYS 12 OK 91 91 - 100 HD2 LYS 20 + HD2 LYS 20 OK 52 52 - 100 HB3 ARG 91 + HB3 ARG 91 OK 50 50 - 100 HD3 LYS 47 + HD3 LYS 47 OK 48 48 - 100 HD2 LYS 47 + HD2 LYS 47 OK 46 46 - 100 HD3 LYS 20 + HD3 LYS 20 OK 45 45 - 100 HD2 LYS 73 + HD2 LYS 73 OK 42 42 - 100 HD2 LYS 33 + HD2 LYS 33 OK 30 30 - 100 HD3 LYS 33 + HD3 LYS 33 OK 30 30 - 100 Reference assignment not found: HD3 LYS 24 - HD2 LYS 24 Peak 1114 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 18 out of 67 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=7...(83) * HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=92, 1132/3.0=7...(83) HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=7...(83) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=92, 1132/3.0=7...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 99 100 99 2.2-3.0 2.9=94, 474/3.0=11...(69) HE3 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 565/3.0=11...(69) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-2.9 2.9=94, 474/3.0=11...(69) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 565/3.0=11...(69) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=91, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(48) HE2 LYS 73 + HD2 LYS 73 OK 59 59 100 99 2.7-3.0 3.0=90, 3309/3.0=7...(78) HE3 LYS 73 + HD2 LYS 73 OK 55 56 100 99 2.3-2.9 3.0=90, 3309/3.0=7...(76) HE2 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.2-2.7 3.0=92, 2206/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.9-3.0 3.0=92, 2206/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.9-3.0 3.0=92, 2206/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.3-2.8 3.0=92, 2206/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 25 70 100 35 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 24 72 95 35 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE3 LYS 90 - HD2 LYS 20 far 0 45 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 81 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 82 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 41 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 40 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 45 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 89 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 43 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 43 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 52 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 43 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 24 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 24 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 51 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 42 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 99 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 91 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 91 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 62 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 56 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 56 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 61 0 - 9.2-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 62 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 55 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 62 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 88 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 56 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1115 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 18 out of 67 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=7...(83) HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=92, 1132/3.0=7...(83) * HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=92, 1132/3.0=7...(83) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=92, 1132/3.0=7...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 99 100 99 2.2-3.0 2.9=94, 474/3.0=11...(69) HE3 LYS 13 + HD2 LYS 13 OK 98 99 100 99 2.3-3.0 2.9=94, 565/3.0=11...(69) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-2.9 2.9=94, 474/3.0=11...(69) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 565/3.0=11...(69) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=91, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=91, ~463=19, ~464=19...(48) HE2 LYS 73 + HD2 LYS 73 OK 59 59 100 99 2.7-3.0 3.0=90, 3309/3.0=7...(78) HE3 LYS 73 + HD2 LYS 73 OK 55 56 100 99 2.3-2.9 3.0=90, 3309/3.0=7...(76) HE2 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.2-2.7 3.0=92, 2206/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.9-3.0 3.0=92, 2206/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.9-3.0 3.0=92, 2206/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.3-2.8 3.0=92, 2206/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 25 70 100 35 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 24 72 95 35 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE3 LYS 90 - HD2 LYS 20 far 0 45 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 81 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 82 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 41 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 40 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 44 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 49 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 77 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 76 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 45 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 58 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 89 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 90 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 43 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 43 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 52 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 43 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 24 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 58 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 24 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 29 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 56 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 29 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 51 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 42 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 99 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 91 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 91 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 62 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 56 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 56 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 61 0 - 9.2-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 62 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 55 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 62 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 88 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 56 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1116 from cnoeabs.peaks (7.71, 1.70, 28.90 ppm; 4.88 A): 5 out of 17 assignments used, quality = 1.00: * H ALA 25 + HD2 LYS 24 OK 100 100 100 100 3.2-5.9 6402/3.0=65, 6403=50...(16) H ALA 25 + HD3 LYS 24 OK 100 100 100 100 3.2-5.8 6402/3.0=65, 6403=50...(16) H MET 21 + HD2 LYS 20 OK 44 45 100 98 3.7-5.6 869/3.5=44, 6325/3.5=43...(14) H MET 21 + HD3 LYS 20 OK 40 41 100 98 4.5-5.7 869/3.5=44, 6325/3.5=43...(14) H MET 74 + HD2 LYS 73 OK 30 34 100 88 5.4-5.9 7220/3.0=36, 7219/3.0=35...(11) H SER 85 - HD3 LYS 13 far 4 87 5 - 6.3-10.2 H MET 21 - HD3 LYS 24 far 4 84 5 - 5.8-9.1 H SER 85 - HD2 LYS 13 far 0 88 0 - 6.4-11.4 H SER 49 - HD3 LYS 47 far 0 48 0 - 6.6-8.9 H GLU 37 - HD3 LYS 33 far 0 27 0 - 6.9-8.4 H MET 21 - HD2 LYS 24 far 0 84 0 - 6.9-9.2 H SER 49 - HD2 LYS 47 far 0 46 0 - 7.5-9.1 H GLU 37 - HD2 LYS 33 far 0 27 0 - 7.5-8.9 H SER 85 - HB3 ARG 91 far 0 44 0 - 8.4-10.3 H ALA 25 - HD3 LYS 20 far 0 56 0 - 9.3-10.8 H ALA 25 - HD2 LYS 20 far 0 62 0 - 9.5-10.9 H MET 21 - HB3 ARG 91 far 0 40 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1117 from cnoeabs.peaks (7.57, 1.70, 28.90 ppm; 4.46 A): 5 out of 22 assignments used, quality = 1.00: * H LYS 24 + HD3 LYS 24 OK 100 100 100 100 4.2-5.7 6385/3.0=74, 1073/3.6=39...(27) H LYS 24 + HD2 LYS 24 OK 100 100 100 100 4.1-5.7 6385/3.0=74, 1061/3.6=39...(27) H LEU 14 + HD2 LYS 13 OK 89 90 100 99 2.1-4.4 6191/3.0=52, 6192/3.0=37...(27) H LEU 14 + HD3 LYS 13 OK 88 89 100 99 2.2-4.2 6191/3.0=52, 6192/3.0=37...(27) H GLU 44 + HD3 LYS 47 OK 29 35 85 97 4.7-7.9 ~12088=34, 3.0/12090=34...(19) H GLU 44 - HD2 LYS 47 poor 10 34 30 - 4.5-7.8 H GLU 88 - HB3 ARG 91 far 8 53 15 - 4.3-6.2 H LEU 14 - HD2 LYS 12 far 8 79 10 - 5.8-7.6 HD22 ASN 10 - HD3 LYS 12 far 6 62 10 - 4.9-12.5 HD22 ASN 10 - HD2 LYS 12 far 6 62 10 - 5.9-11.2 HD22 ASN 10 - HD2 LYS 33 far 4 28 15 - 5.1-9.3 H LEU 14 - HD3 LYS 12 far 0 79 0 - 6.4-8.5 HD22 ASN 10 - HD3 LYS 33 far 0 28 0 - 6.4-10.8 H LYS 24 - HD3 LYS 20 far 0 54 0 - 7.4-8.8 H LYS 24 - HD2 LYS 20 far 0 60 0 - 7.5-8.7 H GLU 88 - HD3 LYS 13 far 0 99 0 - 7.6-12.1 H GLU 88 - HD2 LYS 13 far 0 100 0 - 7.7-12.6 H LEU 14 - HD2 LYS 20 far 0 49 0 - 8.2-10.2 H LEU 14 - HD3 LYS 20 far 0 44 0 - 8.2-11.0 HD22 ASN 10 - HD3 LYS 13 far 0 71 0 - 8.8-12.5 H ILE 76 - HD2 LYS 73 far 0 56 0 - 9.3-9.8 HD22 ASN 10 - HD2 LYS 13 far 0 72 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 1118 from cnoeabs.peaks (4.10, 1.70, 28.90 ppm; 3.60 A): 4 out of 14 assignments used, quality = 1.00: * HA LYS 24 + HD3 LYS 24 OK 100 100 100 100 2.1-4.9 1096/3.0=57, 4.9=38...(76) HA LYS 24 + HD2 LYS 24 OK 100 100 100 100 3.3-4.7 1096/3.0=57, 4.9=38...(76) HA PRO 86 + HD2 LYS 13 OK 66 98 85 79 3.8-8.7 3810=14, ~10957=13...(23) HA PRO 86 + HD3 LYS 13 OK 58 97 75 79 3.8-8.7 3810=14, ~10957=13...(25) HA GLU 104 - HB3 ARG 91 far 0 40 0 - 5.8-17.1 HA ARG 46 - HD3 LYS 47 far 0 36 0 - 6.8-8.2 HA LYS 66 - HD2 LYS 73 far 0 47 0 - 7.0-9.6 HA ARG 46 - HD2 LYS 47 far 0 35 0 - 7.2-8.6 HA PRO 86 - HB3 ARG 91 far 0 51 0 - 7.5-9.3 HA PRO 86 - HD2 LYS 20 far 0 57 0 - 8.0-10.9 HA PRO 86 - HD3 LYS 20 far 0 51 0 - 8.2-11.4 HA LYS 24 - HD3 LYS 20 far 0 54 0 - 8.7-10.6 HA LYS 24 - HD2 LYS 20 far 0 60 0 - 9.0-10.6 HA PRO 86 - HD2 LYS 12 far 0 89 0 - 9.7-11.9 Violated in 1 structures by 0.00 A. Peak 1119 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.83 A): 12 out of 52 assignments used, quality = 1.00: HB3 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.2-3.6 3.6=50, ~1096=11...(110) * HB2 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.1-4.2 3.6=50, ~1096=11...(110) HB3 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.2-4.2 3.6=50, 3.0/1055=12...(110) HB2 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.0-3.7 3.6=50, 3.0/1055=12...(110) HB2 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.9-3.3 3.6=49, ~3232=8...(127) HB3 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.4-3.4 3.6=49, ~3232=8...(123) HB2 LYS 47 + HD3 LYS 47 OK 50 51 100 98 2.2-3.7 3.9=37, 2134/6775=12...(94) HB2 LYS 47 + HD2 LYS 47 OK 48 50 100 98 2.6-3.9 3.9=37, 2134/6775=12...(94) HB3 LYS 20 + HD2 LYS 20 OK 39 41 100 94 3.3-4.1 3.5=52, ~848=8...(67) HB3 LYS 20 + HD3 LYS 20 OK 35 37 100 95 2.7-4.1 3.5=52, ~848=8...(67) HB3 LYS 47 + HD3 LYS 47 OK 25 25 100 97 2.1-3.8 3.9=37, 4.0/6775=10...(109) HB3 LYS 47 + HD2 LYS 47 OK 24 25 100 97 2.5-3.9 3.9=37, 4.0/6775=10...(109) HB3 ARG 19 - HD2 LYS 20 far 5 36 15 - 3.8-7.2 HB3 GLU 44 - HD3 LYS 47 poor 5 25 20 - 3.9-7.3 HB2 GLU 17 - HD2 LYS 20 far 5 49 10 - 3.4-6.6 HB3 GLU 44 - HD2 LYS 47 far 4 25 15 - 3.9-7.8 HB2 GLU 44 - HD3 LYS 47 far 3 25 10 - 3.5-8.4 HB2 GLU 37 - HD3 LYS 33 far 2 41 5 - 3.8-7.1 HB2 GLU 44 - HD2 LYS 47 far 1 25 5 - 4.3-8.2 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 20 far 0 44 0 - 4.4-6.7 QE MET 74 - HD2 LYS 73 far 0 29 0 - 4.5-6.6 HB2 GLU 17 - HD3 LYS 13 far 0 89 0 - 4.6-10.5 HB2 GLU 17 - HD2 LYS 13 far 0 90 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 4.9-5.5 HB2 GLU 37 - HD2 LYS 33 far 0 41 0 - 5.0-7.7 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 32 0 - 5.1-7.3 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 48 0 - 5.5-8.2 HB3 ARG 46 - HD3 LYS 47 far 0 51 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 50 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.7-9.0 HB3 ARG 19 - HD2 LYS 12 far 0 61 0 - 6.7-10.6 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.0-10.8 HB2 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.1-9.1 QE MET 74 - HD3 LYS 47 far 0 24 0 - 7.2-10.4 HB3 MET 74 - HD2 LYS 73 far 0 60 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.3-9.5 HB3 ARG 19 - HD3 LYS 12 far 0 61 0 - 7.4-12.4 HB3 MET 74 - HD2 LYS 47 far 0 50 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 8.3-11.4 HG3 GLU 88 - HD2 LYS 13 far 0 92 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 79 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 91 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 43 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 79 0 - 8.8-13.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 9.5-13.9 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1120 from cnoeabs.peaks (1.96, 1.70, 28.90 ppm; 2.83 A): 12 out of 52 assignments used, quality = 1.00: * HB3 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.2-3.6 3.6=50, ~1096=11...(110) HB2 LYS 24 + HD3 LYS 24 OK 98 100 100 98 2.1-4.2 3.6=50, ~1096=11...(110) HB3 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.2-4.2 3.6=50, 3.0/1055=12...(110) HB2 LYS 24 + HD2 LYS 24 OK 98 100 100 98 2.0-3.7 3.6=50, 3.0/1055=12...(110) HB2 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.9-3.3 3.6=49, ~3232=8...(127) HB3 LYS 73 + HD2 LYS 73 OK 58 59 100 98 2.4-3.4 3.6=49, ~3232=8...(123) HB2 LYS 47 + HD3 LYS 47 OK 50 51 100 98 2.2-3.7 3.9=37, 2134/6775=12...(94) HB2 LYS 47 + HD2 LYS 47 OK 48 50 100 98 2.6-3.9 3.9=37, 2134/6775=12...(94) HB3 LYS 20 + HD2 LYS 20 OK 39 41 100 94 3.3-4.1 3.5=52, ~848=8...(67) HB3 LYS 20 + HD3 LYS 20 OK 35 37 100 95 2.7-4.1 3.5=52, ~848=8...(67) HB3 LYS 47 + HD3 LYS 47 OK 25 25 100 97 2.1-3.8 3.9=37, 4.0/6775=10...(109) HB3 LYS 47 + HD2 LYS 47 OK 24 25 100 97 2.5-3.9 3.9=37, 4.0/6775=10...(109) HB3 ARG 19 - HD2 LYS 20 far 5 36 15 - 3.8-7.2 HB3 GLU 44 - HD3 LYS 47 poor 5 25 20 - 3.9-7.3 HB2 GLU 17 - HD2 LYS 20 far 5 49 10 - 3.4-6.6 HB3 GLU 44 - HD2 LYS 47 far 4 25 15 - 3.9-7.8 HB2 GLU 44 - HD3 LYS 47 far 3 25 10 - 3.5-8.4 HB2 GLU 37 - HD3 LYS 33 far 2 41 5 - 3.8-7.1 HB2 GLU 44 - HD2 LYS 47 far 1 25 5 - 4.3-8.2 HB3 LYS 20 - HD3 LYS 24 far 0 81 0 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 20 far 0 44 0 - 4.4-6.7 QE MET 74 - HD2 LYS 73 far 0 29 0 - 4.5-6.6 HB2 GLU 17 - HD3 LYS 13 far 0 89 0 - 4.6-10.5 HB2 GLU 17 - HD2 LYS 13 far 0 90 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 36 0 - 4.9-5.5 HB2 GLU 37 - HD2 LYS 33 far 0 41 0 - 5.0-7.7 HB VAL 32 - HD2 LYS 33 far 0 36 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 81 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 32 0 - 5.1-7.3 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 48 0 - 5.5-8.2 HB3 ARG 46 - HD3 LYS 47 far 0 51 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 50 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 54 0 - 6.7-9.0 HB3 ARG 19 - HD2 LYS 12 far 0 61 0 - 6.7-10.6 QE MET 74 - HD2 LYS 47 far 0 24 0 - 7.0-10.8 HB2 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.1-9.1 QE MET 74 - HD3 LYS 47 far 0 24 0 - 7.2-10.4 HB3 MET 74 - HD2 LYS 73 far 0 60 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 60 0 - 7.3-9.5 HB3 ARG 19 - HD3 LYS 12 far 0 61 0 - 7.4-12.4 HB3 MET 74 - HD2 LYS 47 far 0 50 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 8.3-11.4 HG3 GLU 88 - HD2 LYS 13 far 0 92 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 79 0 - 8.5-12.3 HG3 GLU 88 - HD3 LYS 13 far 0 91 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 43 0 - 8.7-11.0 HB2 GLU 17 - HD3 LYS 12 far 0 79 0 - 8.8-13.7 HB3 ARG 19 - HD3 LYS 24 far 0 71 0 - 9.5-13.9 HB3 ARG 19 - HD2 LYS 24 far 0 71 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1121 from cnoeabs.peaks (1.59, 1.70, 28.90 ppm; 2.40 A): 7 out of 50 assignments used, quality = 1.00: * HG2 LYS 24 + HD3 LYS 24 OK 90 100 100 90 2.2-2.9 3.0=54, 1091/1.8=9...(48) HG2 LYS 24 + HD2 LYS 24 OK 90 100 100 90 2.2-3.0 3.0=54, 1091/1.8=9...(47) HG3 LYS 12 + HD2 LYS 12 OK 84 91 100 93 2.6-3.0 3.0=52, 464/3.0=22...(43) HG3 LYS 12 + HD3 LYS 12 OK 84 91 100 92 2.2-2.7 3.0=52, 464/3.0=22...(42) HG3 LYS 73 + HD2 LYS 73 OK 50 56 100 88 2.3-3.0 3.0=54, 3278/1.8=9...(52) HG3 LYS 47 + HD3 LYS 47 OK 24 27 100 90 2.3-3.0 3.0=53, 1.8/2164=7...(59) HG3 LYS 47 + HD2 LYS 47 OK 24 27 100 90 2.3-3.0 3.0=53, 1.8/2164=7...(58) HG2 LYS 33 - HD2 LYS 33 poor 19 22 100 86 2.3-2.9 3.0=53, 1.8/2926=10...(41) HG2 LYS 33 - HD3 LYS 33 poor 19 22 100 86 2.7-3.0 3.0=53, 1.8/2926=10...(41) HG2 ARG 19 - HD3 LYS 20 far 0 54 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 50 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 60 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 26 0 - 4.3-8.9 HG3 LYS 90 - HD3 LYS 20 far 0 54 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 53 0 - 5.2-8.3 HG3 LYS 90 - HD2 LYS 20 far 0 60 0 - 5.6-9.0 HD2 LYS 94 - HD2 LYS 24 far 0 61 0 - 5.6-10.7 HG3 LYS 12 - HD2 LYS 13 far 0 99 0 - 5.7-8.8 HD3 LYS 94 - HD3 LYS 24 far 0 98 0 - 5.8-12.1 HD2 LYS 94 - HD3 LYS 24 far 0 61 0 - 5.8-11.2 HD3 LYS 94 - HD2 LYS 24 far 0 98 0 - 5.9-11.7 HG3 LYS 12 - HD3 LYS 13 far 0 98 0 - 6.1-8.9 HB2 ARG 30 - HD3 LYS 33 far 0 40 0 - 6.3-8.9 HG LEU 27 - HD2 LYS 24 far 0 98 0 - 6.5-9.9 HG3 LYS 90 - HD3 LYS 13 far 0 99 0 - 6.7-14.1 HG LEU 27 - HD3 LYS 24 far 0 98 0 - 6.8-9.5 HG3 LYS 90 - HD2 LYS 13 far 0 100 0 - 6.9-13.4 HG3 LYS 90 - HD3 LYS 24 far 0 100 0 - 7.5-13.4 HB2 ARG 30 - HD2 LYS 33 far 0 40 0 - 7.5-10.3 HG2 ARG 19 - HD2 LYS 12 far 0 92 0 - 7.6-10.5 HD2 LYS 66 - HD2 LYS 73 far 0 54 0 - 8.2-12.0 HG3 LYS 12 - HD2 LYS 20 far 0 58 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 53 0 - 8.4-18.4 HB3 LEU 29 - HD2 LYS 20 far 0 57 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 54 0 - 8.5-10.7 HG3 LYS 90 - HD2 LYS 24 far 0 100 0 - 8.6-13.7 HG2 LYS 24 - HD2 LYS 20 far 0 60 0 - 8.7-11.2 HG2 ARG 19 - HD3 LYS 12 far 0 92 0 - 8.9-11.9 HG3 LYS 12 - HD2 LYS 33 far 0 44 0 - 9.0-12.5 HB3 LEU 29 - HD3 LYS 20 far 0 52 0 - 9.2-10.9 HG2 LYS 33 - HD2 LYS 12 far 0 52 0 - 9.2-12.7 HG2 LYS 33 - HD3 LYS 12 far 0 52 0 - 9.2-14.2 HG LEU 103 - HB3 ARG 91 far 0 53 0 - 9.3-19.5 HD2 LYS 94 - HD3 LYS 20 far 0 27 0 - 9.4-13.3 HG3 LYS 12 - HD3 LYS 20 far 0 53 0 - 9.6-13.3 HD3 LYS 94 - HD3 LYS 20 far 0 51 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 30 0 - 9.8-13.6 HB3 LEU 29 - HD2 LYS 24 far 0 99 0 - 9.9-12.9 HG3 LYS 12 - HD3 LYS 33 far 0 44 0 - 9.9-13.3 HG2 ARG 19 - HD3 LYS 13 far 0 99 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1122 from cnoeabs.peaks (1.51, 1.70, 28.90 ppm; 2.45 A): 12 out of 36 assignments used, quality = 1.00: * HG3 LYS 24 + HD3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=57, 1096/4.9=12...(38) HG3 LYS 24 + HD2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=57, 1096/4.9=12...(38) HG3 LYS 13 + HD2 LYS 13 OK 88 98 100 90 2.4-3.0 3.0=57, 486/487=11...(37) HG3 LYS 13 + HD3 LYS 13 OK 87 97 100 90 2.4-3.0 3.0=57, 1.8/524=10...(37) HG2 LYS 73 + HD2 LYS 73 OK 49 53 100 91 2.3-3.0 3.0=57, 3267/1.8=8...(51) HB2 ARG 91 + HB3 ARG 91 OK 43 43 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 42 45 100 92 2.3-3.0 3.0=56, 1.8/2175=11...(57) HG2 LYS 47 + HD2 LYS 47 OK 40 44 100 92 2.3-3.0 3.0=56, 1.8/2175=11...(57) HG3 LYS 33 + HD3 LYS 33 OK 40 46 100 89 2.2-2.6 3.0=57, 1506/3.0=12...(37) HG3 LYS 33 + HD2 LYS 33 OK 40 46 100 89 2.7-3.0 3.0=57, 1506/3.0=12...(37) HB2 LEU 14 + HD3 LYS 13 OK 37 95 85 46 2.9-6.2 245/3.0=7, 3.1/10406=5...(23) HB2 LEU 14 + HD2 LYS 13 OK 37 96 85 45 2.7-6.8 245/3.0=7, 3.1/10406=5...(22) HB3 LEU 103 - HB3 ARG 91 far 0 48 0 - 6.8-18.2 HG3 LYS 13 - HD3 LYS 12 far 0 89 0 - 7.1-9.6 HG3 LYS 13 - HD2 LYS 12 far 0 89 0 - 7.2-9.2 HG3 LYS 66 - HD2 LYS 73 far 0 54 0 - 7.3-12.3 HG3 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 52 0 - 7.3-9.3 HG LEU 6 - HD3 LYS 33 far 0 40 0 - 7.5-11.9 HG3 LYS 24 - HD2 LYS 20 far 0 60 0 - 8.2-11.1 HB ILE 7 - HD3 LYS 33 far 0 42 0 - 8.2-9.8 HB2 LEU 14 - HD2 LYS 12 far 0 87 0 - 8.4-10.2 HB ILE 7 - HD2 LYS 33 far 0 42 0 - 8.7-11.2 HG LEU 6 - HD2 LYS 33 far 0 40 0 - 8.8-13.4 HG2 LYS 66 - HD2 LYS 73 far 0 53 0 - 8.9-12.0 HB2 LEU 14 - HD3 LYS 20 far 0 49 0 - 9.0-11.5 HB2 LEU 14 - HD2 LYS 20 far 0 55 0 - 9.1-11.1 HG3 ARG 30 - HD3 LYS 33 far 0 36 0 - 9.1-11.4 HB2 LEU 14 - HD3 LYS 12 far 0 87 0 - 9.1-11.3 HB ILE 7 - HD2 LYS 12 far 0 87 0 - 9.4-10.7 HB2 LEU 14 - HB3 ARG 91 far 0 49 0 - 9.4-12.0 HG3 LYS 33 - HD2 LYS 12 far 0 92 0 - 9.7-13.2 HG3 LYS 66 - HD3 LYS 33 far 0 41 0 - 9.8-12.6 HB ILE 7 - HD2 LYS 20 far 0 55 0 - 9.9-11.5 HG3 LYS 13 - HD2 LYS 20 far 0 57 0 - 9.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 92 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1123 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 99 99 - 100 HD3 LYS 13 + HD3 LYS 13 OK 98 98 - 100 HD3 LYS 12 + HD3 LYS 12 OK 92 92 - 100 HD2 LYS 12 + HD2 LYS 12 OK 92 92 - 100 HD2 LYS 20 + HD2 LYS 20 OK 52 52 - 100 HB3 ARG 91 + HB3 ARG 91 OK 49 49 - 100 HD3 LYS 47 + HD3 LYS 47 OK 47 47 - 100 HD2 LYS 47 + HD2 LYS 47 OK 45 45 - 100 HD3 LYS 20 + HD3 LYS 20 OK 44 44 - 100 HD2 LYS 73 + HD2 LYS 73 OK 42 42 - 100 HD2 LYS 33 + HD2 LYS 33 OK 30 30 - 100 HD3 LYS 33 + HD3 LYS 33 OK 30 30 - 100 Reference assignment not found: HD2 LYS 24 - HD3 LYS 24 Peak 1124 from cnoeabs.peaks (1.70, 1.70, 28.90 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: * HD3 LYS 24 + HD3 LYS 24 OK 100 100 - 100 HD2 LYS 24 + HD2 LYS 24 OK 100 100 - 100 HD2 LYS 13 + HD2 LYS 13 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 99 99 - 100 HD3 LYS 12 + HD3 LYS 12 OK 92 92 - 100 HD2 LYS 12 + HD2 LYS 12 OK 92 92 - 100 HD2 LYS 20 + HD2 LYS 20 OK 51 51 - 100 HB3 ARG 91 + HB3 ARG 91 OK 49 49 - 100 HD3 LYS 47 + HD3 LYS 47 OK 46 46 - 100 HD2 LYS 47 + HD2 LYS 47 OK 45 45 - 100 HD3 LYS 20 + HD3 LYS 20 OK 43 43 - 100 HD2 LYS 73 + HD2 LYS 73 OK 40 40 - 100 HD2 LYS 33 + HD2 LYS 33 OK 31 31 - 100 HD3 LYS 33 + HD3 LYS 33 OK 31 31 - 100 Peak 1125 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 18 out of 67 assignments used, quality = 1.00: * HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 474/3.0=11...(68) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 565/3.0=11...(68) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-2.9 2.9=94, 474/3.0=11...(68) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 565/3.0=11...(68) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(48) HE2 LYS 73 + HD2 LYS 73 OK 56 57 100 98 2.7-3.0 3.0=89, 3309/3.0=7...(78) HE3 LYS 73 + HD2 LYS 73 OK 53 53 100 98 2.3-2.9 3.0=89, 3309/3.0=7...(76) HE2 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.2-2.7 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.3-2.8 3.0=91, 2206/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 25 71 100 35 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 24 72 95 35 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 82 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 83 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 39 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 39 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 43 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 48 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 78 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 77 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 46 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 42 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 46 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 26 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 26 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 30 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 30 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 50 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 41 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 92 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 92 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 60 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 54 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 54 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 59 0 - 9.2-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 60 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 60 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 54 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 60 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 88 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 54 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1126 from cnoeabs.peaks (2.96, 1.70, 28.90 ppm; 2.88 A): 18 out of 67 assignments used, quality = 1.00: HE2 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) * HE3 LYS 24 + HD3 LYS 24 OK 99 100 100 99 2.6-3.0 3.0=91, 1132/3.0=7...(83) HE3 LYS 24 + HD2 LYS 24 OK 99 100 100 99 2.2-3.0 3.0=91, 1132/3.0=7...(83) HE2 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.2-3.0 2.9=94, 474/3.0=11...(68) HE3 LYS 13 + HD2 LYS 13 OK 99 100 100 99 2.3-3.0 2.9=94, 565/3.0=11...(68) HE2 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-2.9 2.9=94, 474/3.0=11...(68) HE3 LYS 13 + HD3 LYS 13 OK 98 99 100 99 2.2-3.0 2.9=94, 565/3.0=11...(68) HE3 LYS 12 + HD2 LYS 12 OK 91 92 100 99 2.2-3.0 3.0=90, ~463=19, ~464=19...(48) HE3 LYS 12 + HD3 LYS 12 OK 91 92 100 99 2.3-3.0 3.0=90, ~463=19, ~464=19...(48) HE2 LYS 73 + HD2 LYS 73 OK 56 57 100 98 2.7-3.0 3.0=89, 3309/3.0=7...(78) HE3 LYS 73 + HD2 LYS 73 OK 53 53 100 98 2.3-2.9 3.0=89, 3309/3.0=7...(76) HE2 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.2-2.7 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD3 LYS 47 OK 48 48 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE2 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.9-3.0 3.0=91, 2206/3.0=9...(79) HE3 LYS 47 + HD2 LYS 47 OK 47 47 100 99 2.3-2.8 3.0=91, 2206/3.0=9...(79) HB3 ASP 11 + HD3 LYS 13 OK 25 71 100 35 2.3-3.8 ~8363=7, 8366/3.0=5...(12) HB3 ASP 11 + HD2 LYS 13 OK 24 72 95 35 2.4-4.7 ~8363=7, 8366/3.0=5...(11) HE3 LYS 90 - HD2 LYS 20 far 0 44 0 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 13 far 0 82 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 83 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 39 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 39 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 43 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 48 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 78 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 77 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 43 0 - 6.6-9.1 HB2 ASN 10 - HD3 LYS 12 far 0 59 0 - 6.7-11.7 HG2 MET 21 - HD3 LYS 24 far 0 90 0 - 6.7-10.4 HB2 ASN 10 - HD3 LYS 13 far 0 67 0 - 6.7-10.3 HG2 MET 21 - HD2 LYS 24 far 0 89 0 - 6.8-10.6 HE3 LYS 12 - HD2 LYS 33 far 0 46 0 - 6.9-12.4 HB2 PHE 45 - HD3 LYS 47 far 0 42 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 51 0 - 7.0-9.9 HE3 LYS 12 - HD3 LYS 33 far 0 46 0 - 7.2-12.0 HB3 ASP 11 - HD2 LYS 12 far 0 62 0 - 7.2-7.9 HB2 ASN 10 - HD2 LYS 33 far 0 26 0 - 7.4-10.0 HB2 ASN 10 - HD2 LYS 12 far 0 59 0 - 7.5-10.4 HB2 ASN 10 - HD3 LYS 33 far 0 26 0 - 7.5-11.6 HB2 SER 9 - HD2 LYS 33 far 0 30 0 - 7.5-9.8 HE2 LYS 24 - HD3 LYS 20 far 0 54 0 - 7.6-12.5 HB2 SER 9 - HD3 LYS 33 far 0 30 0 - 7.6-10.6 HB3 PHE 45 - HD2 LYS 47 far 0 50 0 - 7.7-10.4 HB2 ASN 10 - HD2 LYS 13 far 0 68 0 - 7.8-10.2 HB3 ASP 11 - HD3 LYS 12 far 0 62 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 67 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 41 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 100 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 99 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 92 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 92 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 84 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 67 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 92 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 92 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 60 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 54 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 54 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 59 0 - 9.2-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 60 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 60 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 84 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 54 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 60 0 - 9.7-12.4 HG2 MET 21 - HD2 LYS 13 far 0 88 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 54 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1127 from cnoeabs.peaks (7.71, 1.70, 28.90 ppm; 5.23 A): 5 out of 17 assignments used, quality = 1.00: * H ALA 25 + HD3 LYS 24 OK 100 100 100 100 3.2-5.8 6402/3.0=74, 6404=50...(16) H ALA 25 + HD2 LYS 24 OK 100 100 100 100 3.2-5.9 6402/3.0=74, 6404=50...(16) H MET 21 + HD2 LYS 20 OK 43 44 100 99 3.7-5.6 869/3.5=49, 6315/5.9=47...(14) H MET 21 + HD3 LYS 20 OK 39 39 100 99 4.5-5.7 869/3.5=49, 6315/5.9=47...(14) H MET 74 + HD2 LYS 73 OK 29 32 100 91 5.4-5.9 7220/3.0=41, 7219/3.0=40...(11) H SER 85 - HD3 LYS 13 far 13 87 15 - 6.3-10.2 H SER 85 - HD2 LYS 13 far 9 88 10 - 6.4-11.4 H MET 21 - HD3 LYS 24 far 4 84 5 - 5.8-9.1 H SER 49 - HD3 LYS 47 far 2 46 5 - 6.6-8.9 H GLU 37 - HD3 LYS 33 far 0 28 0 - 6.9-8.4 H MET 21 - HD2 LYS 24 far 0 84 0 - 6.9-9.2 H SER 49 - HD2 LYS 47 far 0 45 0 - 7.5-9.1 H GLU 37 - HD2 LYS 33 far 0 28 0 - 7.5-8.9 H SER 85 - HB3 ARG 91 far 0 43 0 - 8.4-10.3 H ALA 25 - HD3 LYS 20 far 0 54 0 - 9.3-10.8 H ALA 25 - HD2 LYS 20 far 0 60 0 - 9.5-10.9 H MET 21 - HB3 ARG 91 far 0 39 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1128 from cnoeabs.peaks (7.57, 2.96, 41.80 ppm; 6.05 A): 7 out of 14 assignments used, quality = 1.00: * H LYS 24 + HE2 LYS 24 OK 100 100 100 100 5.0-6.6 6385/3.7=93, 7.4=55...(19) H LYS 24 + HE3 LYS 24 OK 100 100 100 100 5.0-6.9 6385/3.7=93, 7.4=55...(17) H LEU 14 + HE2 LYS 13 OK 90 91 100 100 4.4-4.9 6191/3.8=72, 6182/7.3=48...(22) H LEU 14 + HE3 LYS 13 OK 90 90 100 100 4.1-5.5 6191/3.8=72, 6182/7.3=48...(20) H GLU 44 + HE2 LYS 47 OK 57 73 80 97 5.7-8.2 3.0/8977=50, ~8977=36...(14) H GLU 88 + HE3 LYS 90 OK 52 68 95 81 5.3-8.1 7398/7.0=46, 3.6/9906=33...(9) H GLU 44 + HE3 LYS 47 OK 21 73 30 97 5.3-8.6 3.0/8977=45, ~12106=41...(11) H LEU 14 - HE3 LYS 90 poor 14 56 45 55 5.9-11.2 ~3991=25, ~3969=15...(9) H GLU 88 - HE2 LYS 13 far 5 100 5 - 7.5-10.7 HD22 ASN 10 - HE3 LYS 12 lone 1 73 40 2 4.4-12.3 H LEU 14 - HE3 LYS 12 far 0 90 0 - 8.1-9.5 H GLU 88 - HE3 LYS 13 far 0 100 0 - 8.3-12.1 H ILE 76 - HE2 LYS 73 far 0 92 0 - 8.9-11.5 H ILE 76 - HE3 LYS 73 far 0 85 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 1130 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 13 out of 41 assignments used, quality = 1.00: HB2 LYS 24 + HE3 LYS 24 OK 98 100 100 98 3.0-4.7 4.9=31, ~12306=12...(100) HB3 LYS 73 + HE2 LYS 73 OK 95 96 100 99 3.6-4.1 4.9=32, 4.1/7211=9...(117) HB2 LYS 47 + HE2 LYS 47 OK 94 95 100 99 2.2-4.6 4.9=33, 1.8/2154=14...(110) HB2 LYS 47 + HE3 LYS 47 OK 94 95 100 99 2.0-4.3 4.9=33, 1.8/2154=14...(110) * HB2 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.5-5.1 4.9=31, 3.0/12306=13...(101) HB3 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.6-5.2 4.9=31, 3.0/12306=13...(101) HB2 LYS 73 + HE3 LYS 73 OK 89 90 100 99 2.2-4.7 4.9=32, 4.1/7211=9...(117) HB3 LYS 73 + HE3 LYS 73 OK 88 89 100 99 2.5-4.5 4.9=32, 4.1/7211=9...(117) HB2 LYS 73 + HE2 LYS 73 OK 85 96 90 99 2.7-4.9 4.9=32, 4.1/7211=9...(117) HB3 LYS 24 + HE3 LYS 24 OK 83 100 85 98 2.7-5.2 4.9=31, ~12306=12...(100) HB3 LYS 47 + HE2 LYS 47 OK 54 55 100 99 2.0-3.5 4.9=33, 3.0/2176=11...(117) HB3 LYS 47 + HE3 LYS 47 OK 54 55 100 99 2.1-4.4 4.9=33, 3.0/2176=11...(117) HB2 GLU 17 + HE3 LYS 90 OK 36 56 85 75 2.1-6.1 12027/3.8=22...(22) HB3 GLU 44 - HE2 LYS 47 far 8 55 15 - 4.3-7.2 QE MET 74 - HE3 LYS 73 far 5 48 10 - 4.4-8.3 HB2 ARG 46 - HE3 LYS 47 far 5 92 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 5 92 5 - 4.4-9.5 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.8-8.2 QE MET 74 - HE2 LYS 73 far 3 54 5 - 4.6-8.2 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 5.5-9.2 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.6-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 5.6-9.1 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 5.7-8.2 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 7.1-10.5 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 93 0 - 8.2-11.9 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.4-12.3 QE MET 74 - HE3 LYS 47 far 0 53 0 - 8.8-12.4 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 92 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 96 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 96 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 1131 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 13 out of 41 assignments used, quality = 1.00: HB2 LYS 24 + HE3 LYS 24 OK 98 100 100 98 3.0-4.7 4.9=31, ~12306=12...(100) HB3 LYS 73 + HE2 LYS 73 OK 95 96 100 99 3.6-4.1 4.9=32, 4.1/7211=9...(117) HB2 LYS 47 + HE2 LYS 47 OK 94 95 100 99 2.2-4.6 4.9=33, 1.8/2154=14...(110) HB2 LYS 47 + HE3 LYS 47 OK 94 95 100 99 2.0-4.3 4.9=33, 1.8/2154=14...(110) HB2 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.5-5.1 4.9=31, 3.0/12306=13...(101) * HB3 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.6-5.2 4.9=31, 3.0/12306=13...(101) HB2 LYS 73 + HE3 LYS 73 OK 89 90 100 99 2.2-4.7 4.9=32, 4.1/7211=9...(117) HB3 LYS 73 + HE3 LYS 73 OK 88 89 100 99 2.5-4.5 4.9=32, 4.1/7211=9...(117) HB2 LYS 73 + HE2 LYS 73 OK 85 96 90 99 2.7-4.9 4.9=32, 4.1/7211=9...(117) HB3 LYS 24 + HE3 LYS 24 OK 83 100 85 98 2.7-5.2 4.9=31, ~12306=12...(100) HB3 LYS 47 + HE2 LYS 47 OK 54 55 100 99 2.0-3.5 4.9=33, 3.0/2176=11...(117) HB3 LYS 47 + HE3 LYS 47 OK 54 55 100 99 2.1-4.4 4.9=33, 3.0/2176=11...(117) HB2 GLU 17 + HE3 LYS 90 OK 36 56 85 75 2.1-6.1 12027/3.8=22...(22) HB3 GLU 44 - HE2 LYS 47 far 8 55 15 - 4.3-7.2 QE MET 74 - HE3 LYS 73 far 5 48 10 - 4.4-8.3 HB2 ARG 46 - HE3 LYS 47 far 5 92 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 5 92 5 - 4.4-9.5 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.8-8.2 QE MET 74 - HE2 LYS 73 far 3 54 5 - 4.6-8.2 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 5.5-9.2 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.6-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 5.6-9.1 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 5.7-8.2 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 7.1-10.5 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 93 0 - 8.2-11.9 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.4-12.3 QE MET 74 - HE3 LYS 47 far 0 53 0 - 8.8-12.4 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 92 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 96 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 96 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 1132 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.82 A): 8 out of 28 assignments used, quality = 1.00: * HG2 LYS 24 + HE2 LYS 24 OK 93 100 100 93 2.0-4.1 3.7=43, 1121/3.0=9...(71) HG2 LYS 24 + HE3 LYS 24 OK 93 100 100 93 2.0-4.2 3.7=43, 1121/3.0=9...(71) HG3 LYS 12 + HE3 LYS 12 OK 88 99 100 88 2.2-4.1 4.0=36, ~463=28...(36) HG3 LYS 73 + HE2 LYS 73 OK 86 93 100 92 2.1-3.8 4.0=35, 3298/3.0=17...(66) HG3 LYS 73 + HE3 LYS 73 OK 80 86 100 93 2.0-3.2 4.0=35, 3298/3.0=17...(66) HG3 LYS 47 + HE2 LYS 47 OK 55 58 100 94 2.4-4.0 3.8=42, 1.8/2216=8...(67) HG3 LYS 47 + HE3 LYS 47 OK 55 58 100 94 2.4-3.8 3.8=42, 1.8/2216=8...(67) HG3 LYS 90 + HE3 LYS 90 OK 54 68 100 79 2.0-3.1 3.8=41, 1.8/4005=19...(15) HD3 LYS 94 - HE3 LYS 24 far 5 98 5 - 4.0-11.5 HD2 LYS 94 - HE3 LYS 24 far 0 61 0 - 4.9-10.8 HD3 LYS 94 - HE3 LYS 90 far 0 64 0 - 5.0-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 98 0 - 5.0-12.0 HD2 LYS 94 - HE3 LYS 90 far 0 35 0 - 5.5-11.9 HD2 LYS 94 - HE2 LYS 24 far 0 61 0 - 5.6-11.2 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 98 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 98 0 - 7.8-10.8 HG3 LYS 12 - HE2 LYS 13 far 0 99 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 84 0 - 8.3-12.7 HG2 LYS 33 - HE3 LYS 12 far 0 61 0 - 8.3-13.3 HG2 ARG 19 - HE3 LYS 90 far 0 68 0 - 8.4-14.0 HG3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 100 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 91 0 - 9.1-14.3 HG2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 1133 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.16 A): 9 out of 23 assignments used, quality = 1.00: * HG3 LYS 24 + HE2 LYS 24 OK 98 100 100 98 2.0-3.9 3.7=61, 1096/6.2=13...(98) HG3 LYS 24 + HE3 LYS 24 OK 98 100 100 98 2.2-3.9 3.7=61, 1096/6.2=13...(97) HG3 LYS 13 + HE2 LYS 13 OK 93 98 100 95 2.1-3.6 3.8=56, 486/6.0=14...(70) HG3 LYS 13 + HE3 LYS 13 OK 93 98 100 95 2.0-3.6 3.8=56, 486/6.0=14...(70) HG2 LYS 73 + HE2 LYS 73 OK 88 90 100 98 2.1-4.0 4.0=49, 3297/3.0=12...(105) HG2 LYS 47 + HE2 LYS 47 OK 87 88 100 99 2.4-4.0 3.8=59, 1.8/2206=14...(113) HG2 LYS 47 + HE3 LYS 47 OK 87 88 100 99 2.3-3.8 3.8=59, 1.8/2206=14...(113) HG2 LYS 73 + HE3 LYS 73 OK 81 83 100 98 2.2-3.7 4.0=49, 3297/3.0=12...(106) HB2 LEU 14 + HE2 LYS 13 OK 34 97 60 59 4.4-6.0 245/3.8=9, 594/6196=8...(27) HB2 LEU 14 - HE3 LYS 13 far 0 96 0 - 4.7-7.1 HB2 LEU 14 - HE3 LYS 90 far 0 63 0 - 4.9-9.9 HB2 ARG 91 - HE3 LYS 90 far 0 55 0 - 5.4-8.6 HG3 LYS 13 - HE3 LYS 90 far 0 65 0 - 7.9-12.9 HG3 LYS 66 - HE3 LYS 73 far 0 84 0 - 8.1-13.3 HG3 LYS 13 - HE3 LYS 12 far 0 98 0 - 8.6-10.0 HG3 LYS 33 - HE3 LYS 12 far 0 100 0 - 9.0-14.0 HG LEU 57 - HE3 LYS 90 far 0 67 0 - 9.1-10.7 HG3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.2-13.2 HG2 LYS 66 - HE3 LYS 73 far 0 82 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 97 0 - 9.4-13.6 HG LEU 2 - HE2 LYS 47 far 0 94 0 - 9.6-13.8 HG3 LYS 66 - HE2 LYS 73 far 0 91 0 - 9.7-14.7 HB ILE 7 - HE3 LYS 90 far 0 63 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 1134 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 70 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE3 LYS 13 OK 91 99 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) * HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-2.7 3.0=69, 3.0/2176=7...(51) HD3 LYS 47 + HE3 LYS 47 OK 81 90 100 90 2.9-3.0 3.0=69, 3.0/2176=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE3 LYS 47 OK 80 90 100 90 2.3-2.8 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 66 74 100 88 2.7-3.0 3.0=68, 3298/4.0=7...(46) HD3 LYS 73 + HE2 LYS 73 OK 63 71 100 89 2.2-2.6 3.0=68, 3298/4.0=7...(50) HD2 LYS 73 + HE3 LYS 73 OK 60 67 100 89 2.3-2.9 3.0=68, 3298/4.0=7...(46) HD3 LYS 90 + HE3 LYS 90 OK 58 68 100 85 2.6-3.0 3.0=70, 2.9/4005=12...(14) HD3 LYS 73 + HE3 LYS 73 OK 57 64 100 89 2.7-3.0 3.0=68, 3298/4.0=7...(50) HG2 PRO 86 - HE2 LYS 13 lone 15 100 85 18 2.0-5.3 ~3842=2, 2.3/12335=2...(10) HG2 PRO 86 - HE3 LYS 13 lone 9 100 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 9 86 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 90 far 3 68 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 59 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 69 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 67 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 91 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 91 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 78 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 78 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 89 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 91 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 69 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 78 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 69 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 100 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 91 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 94 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 98 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 78 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 94 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1135 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 70 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/474=9...(53) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE3 LYS 13 OK 92 99 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) * HD3 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-2.7 3.0=69, 3.0/2176=7...(51) HD3 LYS 47 + HE3 LYS 47 OK 81 90 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 80 89 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE3 LYS 47 OK 80 89 100 90 2.3-2.8 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 64 72 100 88 2.7-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE2 LYS 73 OK 61 69 100 89 2.2-2.6 3.0=68, 3298/4.0=6...(50) HD2 LYS 73 + HE3 LYS 73 OK 58 65 100 89 2.3-2.9 3.0=68, 3298/4.0=6...(46) HD3 LYS 90 + HE3 LYS 90 OK 58 68 100 85 2.6-3.0 3.0=70, 2.9/4005=12...(14) HD3 LYS 73 + HE3 LYS 73 OK 55 62 100 89 2.7-3.0 3.0=68, 3298/4.0=6...(50) HG2 PRO 86 - HE2 LYS 13 lone 15 100 85 18 2.0-5.3 ~3842=2, 2.3/12335=2...(10) HG2 PRO 86 - HE3 LYS 13 lone 9 100 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 9 87 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 90 far 3 68 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 80 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 71 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 68 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 90 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 90 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 80 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 80 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 90 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 90 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 71 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 41 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 71 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 100 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 90 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 93 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 97 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 89 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1136 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 94 94 - 100 HE3 LYS 47 + HE3 LYS 47 OK 92 92 - 100 HE2 LYS 47 + HE2 LYS 47 OK 92 92 - 100 HE3 LYS 73 + HE3 LYS 73 OK 83 83 - 100 HE3 LYS 90 + HE3 LYS 90 OK 50 50 - 100 Peak 1137 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 94 94 - 100 HE3 LYS 47 + HE3 LYS 47 OK 92 92 - 100 HE2 LYS 47 + HE2 LYS 47 OK 92 92 - 100 HE3 LYS 73 + HE3 LYS 73 OK 83 83 - 100 HE3 LYS 90 + HE3 LYS 90 OK 50 50 - 100 Reference assignment not found: HE3 LYS 24 - HE2 LYS 24 Peak 1139 from cnoeabs.peaks (7.57, 2.96, 41.80 ppm; 6.05 A): 7 out of 14 assignments used, quality = 1.00: H LYS 24 + HE2 LYS 24 OK 100 100 100 100 5.0-6.6 6385/3.7=93, 7.4=55...(19) * H LYS 24 + HE3 LYS 24 OK 100 100 100 100 5.0-6.9 6385/3.7=93, 7.4=55...(17) H LEU 14 + HE2 LYS 13 OK 90 91 100 100 4.4-4.9 6191/3.8=72, 6182/7.3=48...(22) H LEU 14 + HE3 LYS 13 OK 90 90 100 100 4.1-5.5 6191/3.8=72, 6182/7.3=48...(20) H GLU 44 + HE2 LYS 47 OK 57 73 80 97 5.7-8.2 3.0/8977=50, ~8977=36...(14) H GLU 88 + HE3 LYS 90 OK 52 68 95 81 5.3-8.1 7398/7.0=46, 3.6/9906=33...(9) H GLU 44 + HE3 LYS 47 OK 21 73 30 97 5.3-8.6 3.0/8977=45, ~12106=41...(11) H LEU 14 - HE3 LYS 90 poor 14 56 45 55 5.9-11.2 ~3991=25, ~3969=15...(9) H GLU 88 - HE2 LYS 13 far 5 100 5 - 7.5-10.7 HD22 ASN 10 - HE3 LYS 12 lone 1 73 40 2 4.4-12.3 H LEU 14 - HE3 LYS 12 far 0 90 0 - 8.1-9.5 H GLU 88 - HE3 LYS 13 far 0 100 0 - 8.3-12.1 H ILE 76 - HE2 LYS 73 far 0 92 0 - 8.9-11.5 H ILE 76 - HE3 LYS 73 far 0 85 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 1141 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 13 out of 41 assignments used, quality = 1.00: * HB2 LYS 24 + HE3 LYS 24 OK 98 100 100 98 3.0-4.7 4.9=31, ~12306=12...(100) HB3 LYS 73 + HE2 LYS 73 OK 95 96 100 99 3.6-4.1 4.9=32, 4.1/7211=9...(117) HB2 LYS 47 + HE2 LYS 47 OK 94 95 100 99 2.2-4.6 4.9=33, 1.8/2154=14...(110) HB2 LYS 47 + HE3 LYS 47 OK 94 95 100 99 2.0-4.3 4.9=33, 1.8/2154=14...(110) HB2 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.5-5.1 4.9=31, 3.0/12306=13...(101) HB3 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.6-5.2 4.9=31, 3.0/12306=13...(101) HB2 LYS 73 + HE3 LYS 73 OK 89 90 100 99 2.2-4.7 4.9=32, 4.1/7211=9...(117) HB3 LYS 73 + HE3 LYS 73 OK 88 89 100 99 2.5-4.5 4.9=32, 4.1/7211=9...(117) HB2 LYS 73 + HE2 LYS 73 OK 85 96 90 99 2.7-4.9 4.9=32, 4.1/7211=9...(117) HB3 LYS 24 + HE3 LYS 24 OK 83 100 85 98 2.7-5.2 4.9=31, ~12306=12...(100) HB3 LYS 47 + HE2 LYS 47 OK 54 55 100 99 2.0-3.5 4.9=33, 3.0/2176=11...(117) HB3 LYS 47 + HE3 LYS 47 OK 54 55 100 99 2.1-4.4 4.9=33, 3.0/2176=11...(117) HB2 GLU 17 + HE3 LYS 90 OK 36 56 85 75 2.1-6.1 12027/3.8=22...(22) HB3 GLU 44 - HE2 LYS 47 far 8 55 15 - 4.3-7.2 QE MET 74 - HE3 LYS 73 far 5 48 10 - 4.4-8.3 HB2 ARG 46 - HE3 LYS 47 far 5 92 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 5 92 5 - 4.4-9.5 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.8-8.2 QE MET 74 - HE2 LYS 73 far 3 54 5 - 4.6-8.2 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 5.5-9.2 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.6-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 5.6-9.1 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 5.7-8.2 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 7.1-10.5 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 93 0 - 8.2-11.9 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.4-12.3 QE MET 74 - HE3 LYS 47 far 0 53 0 - 8.8-12.4 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 92 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 96 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 96 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 1142 from cnoeabs.peaks (1.96, 2.96, 41.80 ppm; 3.35 A): 13 out of 41 assignments used, quality = 1.00: HB2 LYS 24 + HE3 LYS 24 OK 98 100 100 98 3.0-4.7 4.9=31, ~12306=12...(100) HB3 LYS 73 + HE2 LYS 73 OK 95 96 100 99 3.6-4.1 4.9=32, 4.1/7211=9...(117) HB2 LYS 47 + HE2 LYS 47 OK 94 95 100 99 2.2-4.6 4.9=33, 1.8/2154=14...(110) HB2 LYS 47 + HE3 LYS 47 OK 94 95 100 99 2.0-4.3 4.9=33, 1.8/2154=14...(110) HB2 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.5-5.1 4.9=31, 3.0/12306=13...(101) HB3 LYS 24 + HE2 LYS 24 OK 93 100 95 98 2.6-5.2 4.9=31, 3.0/12306=13...(101) HB2 LYS 73 + HE3 LYS 73 OK 89 90 100 99 2.2-4.7 4.9=32, 4.1/7211=9...(117) HB3 LYS 73 + HE3 LYS 73 OK 88 89 100 99 2.5-4.5 4.9=32, 4.1/7211=9...(117) HB2 LYS 73 + HE2 LYS 73 OK 85 96 90 99 2.7-4.9 4.9=32, 4.1/7211=9...(117) * HB3 LYS 24 + HE3 LYS 24 OK 83 100 85 98 2.7-5.2 4.9=31, ~12306=12...(100) HB3 LYS 47 + HE2 LYS 47 OK 54 55 100 99 2.0-3.5 4.9=33, 3.0/2176=11...(117) HB3 LYS 47 + HE3 LYS 47 OK 54 55 100 99 2.1-4.4 4.9=33, 3.0/2176=11...(117) HB2 GLU 17 + HE3 LYS 90 OK 36 56 85 75 2.1-6.1 12027/3.8=22...(22) HB3 GLU 44 - HE2 LYS 47 far 8 55 15 - 4.3-7.2 QE MET 74 - HE3 LYS 73 far 5 48 10 - 4.4-8.3 HB2 ARG 46 - HE3 LYS 47 far 5 92 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 5 92 5 - 4.4-9.5 HB3 GLU 44 - HE3 LYS 47 far 3 55 5 - 4.8-8.2 QE MET 74 - HE2 LYS 73 far 3 54 5 - 4.6-8.2 HB3 ARG 46 - HE3 LYS 47 far 0 95 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 81 0 - 5.5-9.2 HB2 GLU 44 - HE3 LYS 47 far 0 55 0 - 5.6-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 95 0 - 5.6-9.1 HB2 GLU 44 - HE2 LYS 47 far 0 55 0 - 5.7-8.2 HB2 GLU 17 - HE2 LYS 13 far 0 91 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 81 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 90 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 48 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 97 0 - 7.1-10.5 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 93 0 - 8.2-11.9 QE MET 74 - HE2 LYS 47 far 0 53 0 - 8.4-12.3 QE MET 74 - HE3 LYS 47 far 0 53 0 - 8.8-12.4 HB3 ARG 19 - HE3 LYS 12 far 0 71 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 41 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 92 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 96 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 96 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 1143 from cnoeabs.peaks (1.59, 2.96, 41.80 ppm; 2.82 A): 8 out of 28 assignments used, quality = 1.00: HG2 LYS 24 + HE2 LYS 24 OK 93 100 100 93 2.0-4.1 3.7=43, 1121/3.0=9...(71) * HG2 LYS 24 + HE3 LYS 24 OK 93 100 100 93 2.0-4.2 3.7=43, 1121/3.0=9...(71) HG3 LYS 12 + HE3 LYS 12 OK 88 99 100 88 2.2-4.1 4.0=36, ~463=28...(36) HG3 LYS 73 + HE2 LYS 73 OK 86 93 100 92 2.1-3.8 4.0=35, 3298/3.0=17...(66) HG3 LYS 73 + HE3 LYS 73 OK 80 86 100 93 2.0-3.2 4.0=35, 3298/3.0=17...(66) HG3 LYS 47 + HE2 LYS 47 OK 55 58 100 94 2.4-4.0 3.8=42, 1.8/2216=8...(67) HG3 LYS 47 + HE3 LYS 47 OK 55 58 100 94 2.4-3.8 3.8=42, 1.8/2216=8...(67) HG3 LYS 90 + HE3 LYS 90 OK 54 68 100 79 2.0-3.1 3.8=41, 1.8/4005=19...(15) HD3 LYS 94 - HE3 LYS 24 far 5 98 5 - 4.0-11.5 HD2 LYS 94 - HE3 LYS 24 far 0 61 0 - 4.9-10.8 HD3 LYS 94 - HE3 LYS 90 far 0 64 0 - 5.0-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 98 0 - 5.0-12.0 HD2 LYS 94 - HE3 LYS 90 far 0 35 0 - 5.5-11.9 HD2 LYS 94 - HE2 LYS 24 far 0 61 0 - 5.6-11.2 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 100 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 98 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 98 0 - 7.8-10.8 HG3 LYS 12 - HE2 LYS 13 far 0 99 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 84 0 - 8.3-12.7 HG2 LYS 33 - HE3 LYS 12 far 0 61 0 - 8.3-13.3 HG2 ARG 19 - HE3 LYS 90 far 0 68 0 - 8.4-14.0 HG3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 100 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 91 0 - 9.1-14.3 HG2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 1144 from cnoeabs.peaks (1.51, 2.96, 41.80 ppm; 3.16 A): 9 out of 23 assignments used, quality = 1.00: HG3 LYS 24 + HE2 LYS 24 OK 98 100 100 98 2.0-3.9 3.7=61, 1096/6.2=13...(98) * HG3 LYS 24 + HE3 LYS 24 OK 98 100 100 98 2.2-3.9 3.7=61, 1096/6.2=13...(97) HG3 LYS 13 + HE2 LYS 13 OK 93 98 100 95 2.1-3.6 3.8=56, 486/6.0=14...(70) HG3 LYS 13 + HE3 LYS 13 OK 93 98 100 95 2.0-3.6 3.8=56, 486/6.0=14...(70) HG2 LYS 73 + HE2 LYS 73 OK 88 90 100 98 2.1-4.0 4.0=49, 3297/3.0=12...(105) HG2 LYS 47 + HE2 LYS 47 OK 87 88 100 99 2.4-4.0 3.8=59, 1.8/2206=14...(113) HG2 LYS 47 + HE3 LYS 47 OK 87 88 100 99 2.3-3.8 3.8=59, 1.8/2206=14...(113) HG2 LYS 73 + HE3 LYS 73 OK 81 83 100 98 2.2-3.7 4.0=49, 3297/3.0=12...(106) HB2 LEU 14 + HE2 LYS 13 OK 34 97 60 59 4.4-6.0 245/3.8=9, 594/6196=8...(27) HB2 LEU 14 - HE3 LYS 13 far 0 96 0 - 4.7-7.1 HB2 LEU 14 - HE3 LYS 90 far 0 63 0 - 4.9-9.9 HB2 ARG 91 - HE3 LYS 90 far 0 55 0 - 5.4-8.6 HG3 LYS 13 - HE3 LYS 90 far 0 65 0 - 7.9-12.9 HG3 LYS 66 - HE3 LYS 73 far 0 84 0 - 8.1-13.3 HG3 LYS 13 - HE3 LYS 12 far 0 98 0 - 8.6-10.0 HG3 LYS 33 - HE3 LYS 12 far 0 100 0 - 9.0-14.0 HG LEU 57 - HE3 LYS 90 far 0 67 0 - 9.1-10.7 HG3 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.2-13.2 HG2 LYS 66 - HE3 LYS 73 far 0 82 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 97 0 - 9.4-13.6 HG LEU 2 - HE2 LYS 47 far 0 94 0 - 9.6-13.8 HG3 LYS 66 - HE2 LYS 73 far 0 91 0 - 9.7-14.7 HB ILE 7 - HE3 LYS 90 far 0 63 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 1145 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 70 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE3 LYS 13 OK 91 99 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) * HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-2.7 3.0=69, 3.0/2176=7...(51) HD3 LYS 47 + HE3 LYS 47 OK 81 90 100 90 2.9-3.0 3.0=69, 3.0/2176=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE3 LYS 47 OK 80 90 100 90 2.3-2.8 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 66 74 100 88 2.7-3.0 3.0=68, 3298/4.0=7...(46) HD3 LYS 73 + HE2 LYS 73 OK 63 71 100 89 2.2-2.6 3.0=68, 3298/4.0=7...(50) HD2 LYS 73 + HE3 LYS 73 OK 60 67 100 89 2.3-2.9 3.0=68, 3298/4.0=7...(46) HD3 LYS 90 + HE3 LYS 90 OK 58 68 100 85 2.6-3.0 3.0=70, 2.9/4005=12...(14) HD3 LYS 73 + HE3 LYS 73 OK 57 64 100 89 2.7-3.0 3.0=68, 3298/4.0=7...(50) HG2 PRO 86 - HE2 LYS 13 lone 15 100 85 18 2.0-5.3 ~3842=2, 2.3/12335=2...(10) HG2 PRO 86 - HE3 LYS 13 lone 9 100 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 9 86 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 90 far 3 68 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 59 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 78 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 69 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 67 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 56 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 91 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 91 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 78 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 78 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 89 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 91 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 99 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 69 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 40 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 78 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 69 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 100 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 91 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 94 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 98 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 78 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 94 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1146 from cnoeabs.peaks (1.70, 2.96, 41.80 ppm; 2.63 A): 19 out of 70 assignments used, quality = 1.00: HD2 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE2 LYS 13 OK 92 100 100 92 2.2-2.9 2.9=72, 3.0/474=9...(53) HD2 LYS 13 + HE3 LYS 13 OK 92 100 100 92 2.3-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 13 + HE3 LYS 13 OK 92 99 100 92 2.2-3.0 2.9=72, 3.0/474=9...(53) HD3 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE2 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.2-3.0 3.0=69, 1121/3.7=6...(57) * HD3 LYS 24 + HE3 LYS 24 OK 91 100 100 91 2.6-3.0 3.0=69, 1121/3.7=6...(57) HD2 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.2-3.0 3.0=69, ~463=15...(31) HD3 LYS 12 + HE3 LYS 12 OK 89 100 100 89 2.3-3.0 3.0=69, ~463=15...(31) HD3 LYS 47 + HE2 LYS 47 OK 81 90 100 90 2.2-2.7 3.0=69, 3.0/2176=7...(51) HD3 LYS 47 + HE3 LYS 47 OK 81 90 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE2 LYS 47 OK 80 89 100 90 2.9-3.0 3.0=69, 3.0/2177=7...(51) HD2 LYS 47 + HE3 LYS 47 OK 80 89 100 90 2.3-2.8 3.0=69, 3.0/2177=7...(50) HD2 LYS 73 + HE2 LYS 73 OK 64 72 100 88 2.7-3.0 3.0=68, 3298/4.0=6...(46) HD3 LYS 73 + HE2 LYS 73 OK 61 69 100 89 2.2-2.6 3.0=68, 3298/4.0=6...(50) HD2 LYS 73 + HE3 LYS 73 OK 58 65 100 89 2.3-2.9 3.0=68, 3298/4.0=6...(46) HD3 LYS 90 + HE3 LYS 90 OK 58 68 100 85 2.6-3.0 3.0=70, 2.9/4005=12...(14) HD3 LYS 73 + HE3 LYS 73 OK 55 62 100 89 2.7-3.0 3.0=68, 3298/4.0=6...(50) HG2 PRO 86 - HE2 LYS 13 lone 15 100 85 18 2.0-5.3 ~3842=2, 2.3/12335=2...(10) HG2 PRO 86 - HE3 LYS 13 lone 9 100 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(9) HB3 LEU 70 - HE2 LYS 73 far 9 87 10 - 3.3-8.1 HG2 PRO 86 - HE3 LYS 90 far 3 68 5 - 4.0-8.1 HD2 LYS 20 - HE3 LYS 90 far 0 58 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 96 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 80 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 71 0 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 67 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 68 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 63 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 90 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 100 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 90 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 100 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 90 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 80 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 80 0 - 7.2-12.0 HD3 LYS 66 - HE3 LYS 73 far 0 90 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 100 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 90 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 96 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 100 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.3-12.3 HD3 LYS 24 - HE3 LYS 90 far 0 68 0 - 8.4-14.7 HB ILE 15 - HE3 LYS 13 far 0 71 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 41 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 100 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 100 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 68 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 100 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 100 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 8.8-12.4 HB ILE 15 - HE2 LYS 13 far 0 71 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 100 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 100 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 90 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 93 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 68 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 97 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 9.7-13.0 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 89 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 1147 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 94 94 - 100 HE3 LYS 47 + HE3 LYS 47 OK 92 92 - 100 HE2 LYS 47 + HE2 LYS 47 OK 92 92 - 100 HE3 LYS 73 + HE3 LYS 73 OK 83 83 - 100 HE3 LYS 90 + HE3 LYS 90 OK 50 50 - 100 Reference assignment not found: HE2 LYS 24 - HE3 LYS 24 Peak 1148 from cnoeabs.peaks (2.96, 2.96, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 24 + HE2 LYS 24 OK 100 100 - 100 * HE3 LYS 24 + HE3 LYS 24 OK 100 100 - 100 HE2 LYS 13 + HE2 LYS 13 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 94 94 - 100 HE3 LYS 47 + HE3 LYS 47 OK 92 92 - 100 HE2 LYS 47 + HE2 LYS 47 OK 92 92 - 100 HE3 LYS 73 + HE3 LYS 73 OK 83 83 - 100 HE3 LYS 90 + HE3 LYS 90 OK 50 50 - 100 Peak 1150 from cnoeabs.peaks (7.71, 4.41, 51.21 ppm; 3.42 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 25 + HA ALA 25 OK 100 100 100 100 2.8-2.9 3.0=100 H MET 21 - HA ALA 25 far 0 84 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 1151 from cnoeabs.peaks (4.41, 4.41, 51.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 25 + HA ALA 25 OK 100 100 - 100 Peak 1152 from cnoeabs.peaks (1.34, 4.41, 51.21 ppm; 2.82 A): 1 out of 3 assignments used, quality = 1.00: * QB ALA 25 + HA ALA 25 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 94 - HA ALA 25 far 0 100 0 - 6.0-9.6 HB3 LEU 27 - HA ALA 25 far 0 100 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 1153 from cnoeabs.peaks (7.84, 4.41, 51.21 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HA ALA 25 OK 100 100 100 100 3.2-3.6 3.6=100 H LEU 3 - HA ALA 25 far 0 100 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 1154 from cnoeabs.peaks (3.83, 1.34, 18.52 ppm; 3.32 A): 3 out of 7 assignments used, quality = 0.99: * HA ALA 22 + QB ALA 25 OK 96 100 100 96 2.3-3.3 6394/6408=44, 1006=29...(22) HA SER 97 + QB ALA 25 OK 78 99 85 92 3.9-5.2 3.0/10073=45...(12) HA LYS 94 + QB ALA 25 OK 43 59 100 73 2.8-3.9 3.0/7515=19, 4174=17...(13) HA2 GLY 100 - QB ALA 25 far 0 59 0 - 7.2-9.6 HA ARG 19 - QB ALA 25 far 0 95 0 - 7.2-8.1 HA2 GLY 101 - QB ALA 25 far 0 59 0 - 9.4-12.3 HB3 SER 102 - QB ALA 25 far 0 96 0 - 9.5-14.3 Violated in 0 structures by 0.00 A. Peak 1155 from cnoeabs.peaks (7.71, 1.34, 18.52 ppm; 3.03 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 25 + QB ALA 25 OK 100 100 100 100 2.1-2.3 2.9=100 H MET 21 - QB ALA 25 far 0 84 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 1156 from cnoeabs.peaks (4.41, 1.34, 18.52 ppm; 2.80 A): 1 out of 3 assignments used, quality = 1.00: * HA ALA 25 + QB ALA 25 OK 100 100 100 100 2.1-2.1 2.1=100 HA MET 21 - QB ALA 25 far 5 100 5 - 4.0-4.8 HA SER 102 - QB ALA 25 far 0 71 0 - 9.5-14.0 Violated in 0 structures by 0.00 A. Peak 1157 from cnoeabs.peaks (1.34, 1.34, 18.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 25 + QB ALA 25 OK 100 100 - 100 Peak 1158 from cnoeabs.peaks (7.84, 1.34, 18.52 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + QB ALA 25 OK 100 100 100 100 2.1-3.5 3.6=100 H LEU 3 - QB ALA 25 far 0 100 0 - 6.5-7.8 Violated in 0 structures by 0.00 A. Peak 1159 from cnoeabs.peaks (7.84, 4.36, 54.31 ppm; 3.08 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HA ASN 26 OK 100 100 100 100 2.3-2.7 3.0=100 H LEU 3 - HA ASN 26 far 0 100 0 - 6.9-8.8 Violated in 0 structures by 0.00 A. Peak 1160 from cnoeabs.peaks (4.36, 4.36, 54.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 26 + HA ASN 26 OK 100 100 - 100 Peak 1161 from cnoeabs.peaks (2.74, 4.36, 54.31 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + HA ASN 26 OK 100 100 100 100 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1162 from cnoeabs.peaks (3.07, 4.36, 54.31 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 26 + HA ASN 26 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1165 from cnoeabs.peaks (8.24, 4.36, 54.31 ppm; 3.53 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 27 + HA ASN 26 OK 100 100 100 100 2.7-3.0 6434=100, 6419/6414=67...(11) H GLU 23 - HA ASN 26 far 0 68 0 - 6.3-6.9 H SER 97 - HA ASN 26 far 0 85 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 1166 from cnoeabs.peaks (7.84, 2.74, 36.97 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HB2 ASN 26 OK 100 100 100 100 3.2-3.3 3.8=100 H LEU 3 - HB2 ASN 26 far 0 100 0 - 6.9-9.2 Violated in 0 structures by 0.00 A. Peak 1167 from cnoeabs.peaks (4.36, 2.74, 36.97 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 26 + HB2 ASN 26 OK 100 100 100 100 2.6-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1168 from cnoeabs.peaks (2.74, 2.74, 36.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + HB2 ASN 26 OK 100 100 - 100 Peak 1169 from cnoeabs.peaks (3.07, 2.74, 36.97 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASN 26 + HB2 ASN 26 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 96 - HB2 ASN 26 far 0 73 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 1170 from cnoeabs.peaks (6.75, 2.74, 36.97 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HB2 ASN 26 OK 100 100 100 100 3.6-3.7 3.5=100 Violated in 0 structures by 0.00 A. Peak 1171 from cnoeabs.peaks (7.47, 2.74, 36.97 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 26 + HB2 ASN 26 OK 100 100 100 100 2.6-2.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 1172 from cnoeabs.peaks (8.24, 2.74, 36.97 ppm; 4.66 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 27 + HB2 ASN 26 OK 100 100 100 100 4.4-4.6 4.7=100 H SER 97 - HB2 ASN 26 far 0 85 0 - 7.8-9.8 H GLU 23 - HB2 ASN 26 far 0 68 0 - 8.1-8.4 H LYS 94 - HB2 ASN 26 far 0 88 0 - 9.8-11.9 H PHE 96 - HB2 ASN 26 far 0 79 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 1173 from cnoeabs.peaks (7.84, 3.07, 36.97 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 26 + HB3 ASN 26 OK 100 100 100 100 3.8-3.9 3.8=100 H LEU 3 - HB3 ASN 26 far 5 100 5 - 5.3-7.5 Violated in 8 structures by 0.01 A. Peak 1174 from cnoeabs.peaks (4.36, 3.07, 36.97 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 26 + HB3 ASN 26 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1175 from cnoeabs.peaks (2.74, 3.07, 36.97 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 26 + HB3 ASN 26 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1176 from cnoeabs.peaks (3.07, 3.07, 36.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 26 + HB3 ASN 26 OK 100 100 - 100 Peak 1177 from cnoeabs.peaks (6.75, 3.07, 36.97 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 26 + HB3 ASN 26 OK 100 100 100 100 4.1-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 1178 from cnoeabs.peaks (7.47, 3.07, 36.97 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 26 + HB3 ASN 26 OK 100 100 100 100 3.5-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 1179 from cnoeabs.peaks (8.24, 3.07, 36.97 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 27 + HB3 ASN 26 OK 100 100 100 100 4.0-4.3 6436=100, 6434/3.0=86...(8) H SER 97 - HB3 ASN 26 far 0 85 0 - 7.9-9.2 H GLU 23 - HB3 ASN 26 far 0 68 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 1180 from cnoeabs.peaks (8.24, 4.65, 52.92 ppm; 4.10 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 27 + HA LEU 27 OK 100 100 100 100 2.9-2.9 3.0=100 H GLU 23 - HA LEU 27 far 0 68 0 - 6.4-7.1 H SER 97 - HA LEU 27 far 0 85 0 - 8.1-9.1 H PHE 96 - HA LEU 27 far 0 79 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 1181 from cnoeabs.peaks (4.65, 4.65, 52.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 27 + HA LEU 27 OK 100 100 - 100 Peak 1182 from cnoeabs.peaks (1.46, 4.65, 52.92 ppm; 4.30 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 27 + HA LEU 27 OK 100 100 100 100 2.9-3.0 3.0=100 QB ALA 22 + HA LEU 27 OK 89 90 100 99 4.1-4.8 ~8638=41, ~8636=39...(18) HG13 ILE 52 - HA LEU 27 far 0 100 0 - 7.5-12.3 HG3 LYS 53 - HA LEU 27 far 0 99 0 - 8.9-10.7 HG2 LYS 53 - HA LEU 27 far 0 100 0 - 9.0-10.9 HG LEU 29 - HA LEU 27 far 0 90 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1183 from cnoeabs.peaks (1.34, 4.65, 52.92 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 27 + HA LEU 27 OK 100 100 100 100 2.2-2.4 3.0=100 QB ALA 25 - HA LEU 27 far 15 100 15 - 4.8-5.4 HB3 LEU 2 - HA LEU 27 far 5 99 5 - 5.0-7.0 HB3 ARG 30 - HA LEU 27 far 0 82 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1184 from cnoeabs.peaks (1.60, 4.65, 52.92 ppm; 4.03 A): 1 out of 7 assignments used, quality = 1.00: * HG LEU 27 + HA LEU 27 OK 100 100 100 100 3.0-3.5 4.3=84, 2.1/1213=84...(16) HB3 GLU 28 - HA LEU 27 far 3 68 5 - 5.5-5.7 HB3 LEU 29 - HA LEU 27 far 0 100 0 - 6.8-7.8 HD2 LYS 94 - HA LEU 27 far 0 84 0 - 9.4-13.0 HG2 ARG 19 - HA LEU 27 far 0 98 0 - 9.4-12.8 HG2 LYS 24 - HA LEU 27 far 0 98 0 - 9.6-10.8 HD3 LYS 94 - HA LEU 27 far 0 100 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 1185 from cnoeabs.peaks (0.73, 4.65, 52.92 ppm; 3.19 A): 2 out of 8 assignments used, quality = 1.00: * QD2 LEU 27 + HA LEU 27 OK 99 100 100 99 2.1-2.6 1213=81, 2.1/1184=44...(19) QD1 LEU 27 + HA LEU 27 OK 58 59 100 98 3.9-4.1 2.1/1213=59, 4.0=50...(18) QG2 ILE 93 - HA LEU 27 far 0 91 0 - 5.8-6.9 QG1 VAL 5 - HA LEU 27 far 0 100 0 - 6.8-7.6 QG1 VAL 54 - HA LEU 27 far 0 73 0 - 7.1-8.6 QD1 ILE 52 - HA LEU 27 far 0 68 0 - 7.2-10.0 HG13 ILE 93 - HA LEU 27 far 0 97 0 - 8.1-10.5 QD1 ILE 56 - HA LEU 27 far 0 90 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 1186 from cnoeabs.peaks (0.77, 4.65, 52.92 ppm; 3.81 A): 2 out of 9 assignments used, quality = 1.00: * QD1 LEU 27 + HA LEU 27 OK 100 100 100 100 3.9-4.1 4.0=85, 2.1/1213=79...(20) QD2 LEU 27 + HA LEU 27 OK 59 59 100 100 2.1-2.6 4.0=85, 2.1/1184=64...(19) QG2 ILE 93 - HA LEU 27 far 0 94 0 - 5.8-6.9 QG1 VAL 54 - HA LEU 27 far 0 100 0 - 7.1-8.6 QG2 ILE 52 - HA LEU 27 far 0 99 0 - 7.5-10.0 QD1 ILE 93 - HA LEU 27 far 0 100 0 - 7.7-9.1 QD1 LEU 6 - HA LEU 27 far 0 100 0 - 7.9-10.8 HG13 ILE 93 - HA LEU 27 far 0 85 0 - 8.1-10.5 QD2 LEU 57 - HA LEU 27 far 0 82 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 1187 from cnoeabs.peaks (7.80, 4.65, 52.92 ppm; 3.04 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 28 + HA LEU 27 OK 99 100 100 99 2.6-2.7 6448=85, 6445/3.0=40...(11) HE ARG 30 - HA LEU 27 far 0 99 0 - 8.8-13.1 Violated in 0 structures by 0.00 A. Peak 1188 from cnoeabs.peaks (8.24, 1.46, 44.09 ppm; 3.87 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.6-3.3 4.0=90, 6442/3.0=68...(18) H GLU 23 + HB2 LEU 27 OK 54 68 100 80 4.1-5.2 3.6/8636=45...(11) H SER 97 - HB2 LEU 27 far 0 85 0 - 6.6-7.7 H LYS 94 - HB2 LEU 27 far 0 88 0 - 7.6-9.1 H PHE 96 - HB2 LEU 27 far 0 79 0 - 7.9-9.5 Violated in 0 structures by 0.00 A. Peak 1189 from cnoeabs.peaks (4.65, 1.46, 44.09 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.9-3.0 3.0=100 HA LEU 55 - HB2 LEU 27 far 0 94 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 1190 from cnoeabs.peaks (1.46, 1.46, 44.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 27 + HB2 LEU 27 OK 100 100 - 100 Peak 1191 from cnoeabs.peaks (1.34, 1.46, 44.09 ppm; 2.85 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 27 + HB2 LEU 27 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 25 + HB2 LEU 27 OK 75 100 95 79 3.4-4.8 8622/3.0=22, 1223/3.1=19...(16) HB3 LEU 2 - HB2 LEU 27 far 0 99 0 - 7.5-9.5 HG3 LYS 94 - HB2 LEU 27 far 0 63 0 - 8.6-11.5 HB3 ARG 30 - HB2 LEU 27 far 0 82 0 - 8.7-10.9 QB ALA 89 - HB2 LEU 27 far 0 100 0 - 9.1-10.0 HG2 LYS 94 - HB2 LEU 27 far 0 100 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1192 from cnoeabs.peaks (1.60, 1.46, 44.09 ppm; 3.60 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LEU 29 + HB2 LEU 27 OK 60 100 80 75 4.2-5.8 1.8/10482=18, 1283=18...(16) HB3 GLU 28 - HB2 LEU 27 far 0 68 0 - 5.8-6.4 HG2 ARG 19 - HB2 LEU 27 far 0 98 0 - 7.5-10.5 HD3 LYS 94 - HB2 LEU 27 far 0 100 0 - 7.7-11.8 HD2 LYS 94 - HB2 LEU 27 far 0 84 0 - 8.0-10.6 HG2 LYS 24 - HB2 LEU 27 far 0 98 0 - 8.0-9.7 HB2 ARG 30 - HB2 LEU 27 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 1193 from cnoeabs.peaks (0.73, 1.46, 44.09 ppm; 3.60 A): 4 out of 9 assignments used, quality = 1.00: * QD2 LEU 27 + HB2 LEU 27 OK 100 100 100 100 3.1-3.2 3.1=100 QG2 ILE 93 + HB2 LEU 27 OK 80 91 100 89 3.5-4.5 10322/8633=31, 10326=29...(26) QD1 LEU 27 + HB2 LEU 27 OK 59 59 100 100 2.0-2.3 3.1=100 QG1 VAL 5 + HB2 LEU 27 OK 27 100 30 92 4.7-5.6 2.1/8633=51, ~8634=37...(17) HG13 ILE 93 - HB2 LEU 27 far 0 97 0 - 5.2-7.8 QG1 VAL 54 - HB2 LEU 27 far 0 73 0 - 6.6-8.1 QD1 ILE 56 - HB2 LEU 27 far 0 90 0 - 8.4-11.0 QD1 ILE 52 - HB2 LEU 27 far 0 68 0 - 8.4-11.6 QD2 LEU 42 - HB2 LEU 27 far 0 63 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1194 from cnoeabs.peaks (0.77, 1.46, 44.09 ppm; 3.51 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 27 + HB2 LEU 27 OK 100 100 100 100 2.0-2.3 3.1=100 QG2 ILE 93 + HB2 LEU 27 OK 83 94 100 88 3.5-4.5 10322/8633=30, 10326=28...(26) QD2 LEU 27 + HB2 LEU 27 OK 59 59 100 100 3.1-3.2 3.1=100 QD1 ILE 93 - HB2 LEU 27 far 0 100 0 - 5.2-6.6 HG13 ILE 93 - HB2 LEU 27 far 0 85 0 - 5.2-7.8 QG1 VAL 54 - HB2 LEU 27 far 0 100 0 - 6.6-8.1 QD2 LEU 57 - HB2 LEU 27 far 0 82 0 - 7.1-8.6 QD1 LEU 6 - HB2 LEU 27 far 0 100 0 - 7.1-9.8 QG2 ILE 52 - HB2 LEU 27 far 0 99 0 - 9.3-11.6 QG2 ILE 7 - HB2 LEU 27 far 0 77 0 - 9.6-10.6 QD2 LEU 42 - HB2 LEU 27 far 0 100 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1195 from cnoeabs.peaks (7.80, 1.46, 44.09 ppm; 4.10 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + HB2 LEU 27 OK 100 100 100 100 2.4-3.1 4.4=82, 6450/1.8=81...(16) HE ARG 30 - HB2 LEU 27 far 0 99 0 - 8.5-12.4 H LYS 20 - HB2 LEU 27 far 0 100 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 1196 from cnoeabs.peaks (8.24, 1.34, 44.09 ppm; 4.19 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 27 + HB3 LEU 27 OK 100 100 100 100 3.7-3.9 4.0=100 H GLU 23 - HB3 LEU 27 far 0 68 0 - 5.8-6.9 H SER 97 - HB3 LEU 27 far 0 85 0 - 6.8-7.6 H PHE 96 - HB3 LEU 27 far 0 79 0 - 8.0-9.6 H LYS 94 - HB3 LEU 27 far 0 88 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 1197 from cnoeabs.peaks (4.65, 1.34, 44.09 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + HB3 LEU 27 OK 100 100 100 100 2.2-2.4 3.0=100 HA LEU 55 - HB3 LEU 27 far 0 94 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 1198 from cnoeabs.peaks (1.46, 1.34, 44.09 ppm; 2.85 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 27 + HB3 LEU 27 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 22 + HB3 LEU 27 OK 79 90 100 88 2.9-3.7 ~8636=21, 1206/3.0=17...(24) HG13 ILE 52 - HB3 LEU 27 far 0 100 0 - 7.3-12.5 HG LEU 29 - HB3 LEU 27 far 0 90 0 - 7.5-9.0 HG3 LYS 53 - HB3 LEU 27 far 0 99 0 - 7.7-10.2 HG2 LYS 53 - HB3 LEU 27 far 0 100 0 - 8.0-10.7 HD2 LYS 53 - HB3 LEU 27 far 0 100 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 1199 from cnoeabs.peaks (1.34, 1.34, 44.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 27 + HB3 LEU 27 OK 100 100 - 100 Peak 1200 from cnoeabs.peaks (1.60, 1.34, 44.09 ppm; 3.76 A): 1 out of 8 assignments used, quality = 1.00: * HG LEU 27 + HB3 LEU 27 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 29 - HB3 LEU 27 poor 20 100 20 - 5.2-7.2 HB3 GLU 28 - HB3 LEU 27 far 0 68 0 - 5.6-6.3 HG2 ARG 19 - HB3 LEU 27 far 0 98 0 - 8.1-11.7 HD3 LYS 94 - HB3 LEU 27 far 0 100 0 - 8.6-12.6 HD2 LYS 94 - HB3 LEU 27 far 0 84 0 - 8.7-11.7 HB2 ARG 30 - HB3 LEU 27 far 0 100 0 - 8.7-11.0 HG2 LYS 24 - HB3 LEU 27 far 0 98 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 1201 from cnoeabs.peaks (0.73, 1.34, 44.09 ppm; 3.56 A): 3 out of 11 assignments used, quality = 1.00: * QD2 LEU 27 + HB3 LEU 27 OK 100 100 100 100 2.1-2.4 3.1=100 QG2 ILE 93 + HB3 LEU 27 OK 65 91 85 84 4.2-5.3 10322/8634=31...(21) QD1 LEU 27 + HB3 LEU 27 OK 59 59 100 100 2.3-2.6 3.1=100 QG1 VAL 5 - HB3 LEU 27 far 10 100 10 - 5.0-6.0 QG1 VAL 54 - HB3 LEU 27 far 0 73 0 - 5.9-7.2 HG13 ILE 93 - HB3 LEU 27 far 0 97 0 - 6.0-8.5 QD1 ILE 52 - HB3 LEU 27 far 0 68 0 - 7.2-10.1 QD1 ILE 56 - HB3 LEU 27 far 0 90 0 - 8.0-10.3 QD2 LEU 42 - HB3 LEU 27 far 0 63 0 - 9.3-10.8 QG1 VAL 78 - HB3 LEU 27 far 0 96 0 - 9.6-10.7 HG13 ILE 56 - HB3 LEU 27 far 0 96 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 1202 from cnoeabs.peaks (0.77, 1.34, 44.09 ppm; 3.51 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 27 + HB3 LEU 27 OK 100 100 100 100 2.3-2.6 3.1=100 QG2 ILE 93 + HB3 LEU 27 OK 64 94 80 85 4.2-5.3 10322/8634=32...(21) QD2 LEU 27 + HB3 LEU 27 OK 59 59 100 100 2.1-2.4 3.1=100 QG1 VAL 54 - HB3 LEU 27 far 0 100 0 - 5.9-7.2 HG13 ILE 93 - HB3 LEU 27 far 0 85 0 - 6.0-8.5 QD1 ILE 93 - HB3 LEU 27 far 0 100 0 - 6.0-7.4 QD1 LEU 6 - HB3 LEU 27 far 0 100 0 - 6.7-9.6 QD2 LEU 57 - HB3 LEU 27 far 0 82 0 - 7.5-8.6 QG2 ILE 52 - HB3 LEU 27 far 0 99 0 - 7.9-10.3 QD2 LEU 42 - HB3 LEU 27 far 0 100 0 - 9.3-10.8 QG1 VAL 78 - HB3 LEU 27 far 0 88 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1203 from cnoeabs.peaks (7.80, 1.34, 44.09 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 28 + HB3 LEU 27 OK 100 100 100 100 2.0-2.6 6450=100, 1187/3.0=77...(15) HE ARG 30 - HB3 LEU 27 far 0 99 0 - 8.4-12.5 H GLU 99 - HB3 LEU 27 far 0 100 0 - 9.8-11.3 H LYS 20 - HB3 LEU 27 far 0 100 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 1204 from cnoeabs.peaks (8.24, 1.60, 26.52 ppm; 4.05 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 27 + HG LEU 27 OK 100 100 100 100 2.2-2.7 6442=100, 3.0/1184=61...(17) H GLU 23 - HG LEU 27 poor 17 68 25 - 5.1-6.5 H SER 97 - HG LEU 27 far 9 85 10 - 5.5-6.5 H LYS 94 - HG LEU 27 far 0 88 0 - 6.9-8.6 H PHE 96 - HG LEU 27 far 0 79 0 - 7.3-8.7 Violated in 0 structures by 0.00 A. Peak 1205 from cnoeabs.peaks (4.65, 1.60, 26.52 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 27 + HG LEU 27 OK 100 100 100 100 3.0-3.5 4.3=100 Violated in 0 structures by 0.00 A. Peak 1206 from cnoeabs.peaks (1.46, 1.60, 26.52 ppm; 3.38 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 27 + HG LEU 27 OK 100 100 100 100 2.4-2.6 3.0=100 QB ALA 22 + HG LEU 27 OK 87 90 100 97 3.3-4.2 1222/2.1=30, 1198/3.0=27...(25) HG LEU 29 - HG LEU 27 far 0 90 0 - 8.1-10.2 HG3 LYS 53 - HG LEU 27 far 0 99 0 - 9.3-10.7 HG2 LYS 53 - HG LEU 27 far 0 100 0 - 9.9-11.3 HG13 ILE 52 - HG LEU 27 far 0 100 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 1207 from cnoeabs.peaks (1.34, 1.60, 26.52 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 27 + HG LEU 27 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 25 + HG LEU 27 OK 99 100 100 99 2.0-2.6 8622=55, 1223/2.1=41...(20) HB3 LEU 2 - HG LEU 27 far 0 99 0 - 6.9-9.2 HG3 LYS 94 - HG LEU 27 far 0 63 0 - 7.5-10.3 HG2 LYS 94 - HG LEU 27 far 0 100 0 - 8.3-10.7 QB ALA 89 - HG LEU 27 far 0 100 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 1208 from cnoeabs.peaks (1.60, 1.60, 26.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 27 + HG LEU 27 OK 100 100 - 100 Peak 1209 from cnoeabs.peaks (0.73, 1.60, 26.52 ppm; 3.55 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 27 + HG LEU 27 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 93 + HG LEU 27 OK 74 91 95 85 3.5-5.1 10326/3.0=18...(30) QD1 LEU 27 + HG LEU 27 OK 59 59 100 100 2.1-2.1 2.1=100 QG1 VAL 5 - HG LEU 27 far 0 100 0 - 6.1-6.9 HG13 ILE 93 - HG LEU 27 far 0 97 0 - 6.5-8.4 QG1 VAL 54 - HG LEU 27 far 0 73 0 - 8.4-9.5 QD1 ILE 52 - HG LEU 27 far 0 68 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 1210 from cnoeabs.peaks (0.77, 1.60, 26.52 ppm; 3.02 A): 3 out of 9 assignments used, quality = 1.00: * QD1 LEU 27 + HG LEU 27 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 27 + HG LEU 27 OK 59 59 100 100 2.1-2.1 2.1=100 QG2 ILE 93 + HG LEU 27 OK 59 94 85 74 3.5-5.1 1194/3.0=14, 1202/3.0=11...(29) QD1 ILE 93 - HG LEU 27 far 0 100 0 - 6.1-7.8 HG13 ILE 93 - HG LEU 27 far 0 85 0 - 6.5-8.4 QD2 LEU 57 - HG LEU 27 far 0 82 0 - 8.2-9.7 QG1 VAL 54 - HG LEU 27 far 0 100 0 - 8.4-9.5 QD1 LEU 6 - HG LEU 27 far 0 100 0 - 9.0-11.6 QG2 ILE 52 - HG LEU 27 far 0 99 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 1211 from cnoeabs.peaks (7.80, 1.60, 26.52 ppm; 6.50 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + HG LEU 27 OK 100 100 100 100 4.6-4.8 1219/2.1=100...(11) H GLU 99 - HG LEU 27 far 0 100 0 - 8.9-10.2 H LYS 20 - HG LEU 27 far 0 100 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 1212 from cnoeabs.peaks (8.24, 0.73, 25.25 ppm; 4.24 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 27 + QD2 LEU 27 OK 100 100 100 100 3.1-3.8 6442/2.1=91, 3.0/1213=76...(20) H SER 97 + QD2 LEU 27 OK 83 85 100 98 4.1-5.1 4.5/8647=46...(19) H PHE 96 - QD2 LEU 27 far 0 79 0 - 5.8-7.0 H GLU 23 - QD2 LEU 27 far 0 68 0 - 6.3-7.1 H LYS 94 - QD2 LEU 27 far 0 88 0 - 6.6-7.9 Violated in 0 structures by 0.00 A. Peak 1213 from cnoeabs.peaks (4.65, 0.73, 25.25 ppm; 3.43 A): 1 out of 2 assignments used, quality = 0.99: * HA LEU 27 + QD2 LEU 27 OK 99 100 100 99 2.1-2.6 1185=63, 1184/2.1=52...(20) HA LEU 55 - QD2 LEU 27 far 0 94 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 1214 from cnoeabs.peaks (1.46, 0.73, 25.25 ppm; 3.77 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 27 + QD2 LEU 27 OK 100 100 100 100 3.1-3.2 3.1=100 QB ALA 22 + QD2 LEU 27 OK 88 90 100 99 4.1-4.6 1222/2.1=36, 1206/2.1=36...(29) HG3 LYS 53 - QD2 LEU 27 far 0 99 0 - 5.8-7.0 HG2 LYS 53 - QD2 LEU 27 far 0 100 0 - 6.2-7.4 HG13 ILE 52 - QD2 LEU 27 far 0 100 0 - 6.4-10.2 HD2 LYS 53 - QD2 LEU 27 far 0 100 0 - 7.4-8.6 HG LEU 29 - QD2 LEU 27 far 0 90 0 - 8.2-9.4 Violated in 0 structures by 0.00 A. Peak 1215 from cnoeabs.peaks (1.34, 0.73, 25.25 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 27 + QD2 LEU 27 OK 100 100 100 100 2.1-2.4 3.1=100 QB ALA 25 + QD2 LEU 27 OK 96 100 100 97 2.4-3.6 8622/2.1=39, 1223/2.1=35...(23) HB3 LEU 2 - QD2 LEU 27 far 15 99 15 - 3.9-6.1 HG3 LYS 94 - QD2 LEU 27 far 0 63 0 - 6.8-9.5 HG2 LYS 94 - QD2 LEU 27 far 0 100 0 - 7.4-9.6 QB ALA 89 - QD2 LEU 27 far 0 100 0 - 9.2-10.3 HB3 ARG 30 - QD2 LEU 27 far 0 82 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 1216 from cnoeabs.peaks (1.60, 0.73, 25.25 ppm; 3.37 A): 1 out of 11 assignments used, quality = 1.00: * HG LEU 27 + QD2 LEU 27 OK 100 100 100 100 2.1-2.1 2.1=100 HD2 LYS 94 - QD2 LEU 27 far 0 84 0 - 5.9-9.6 HD3 LYS 94 - QD2 LEU 27 far 0 100 0 - 6.4-9.9 HB3 LEU 29 - QD2 LEU 27 far 0 100 0 - 6.4-7.8 HB3 GLU 28 - QD2 LEU 27 far 0 68 0 - 6.4-7.3 HG2 LYS 24 - QD2 LEU 27 far 0 98 0 - 7.0-9.2 HG LEU 103 - QD2 LEU 27 far 0 96 0 - 8.4-14.7 HB2 ARG 79 - QD2 LEU 27 far 0 100 0 - 8.6-11.6 HG2 ARG 19 - QD2 LEU 27 far 0 98 0 - 9.0-11.8 HB2 ARG 30 - QD2 LEU 27 far 0 100 0 - 9.2-11.5 HB2 LEU 103 - QD2 LEU 27 far 0 98 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 1217 from cnoeabs.peaks (0.73, 0.73, 25.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 27 + QD2 LEU 27 OK 100 100 - 100 Peak 1218 from cnoeabs.peaks (0.77, 0.73, 25.25 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: QD2 LEU 27 + QD2 LEU 27 OK 59 59 - 100 Reference assignment not found: QD1 LEU 27 - QD2 LEU 27 Peak 1219 from cnoeabs.peaks (7.80, 0.73, 25.25 ppm; 4.15 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 28 + QD2 LEU 27 OK 100 100 100 100 3.5-4.3 1187/1213=73, 4.7=71...(14) H GLU 99 - QD2 LEU 27 far 0 100 0 - 6.4-7.7 HE ARG 30 - QD2 LEU 27 far 0 99 0 - 8.7-12.7 H LYS 20 - QD2 LEU 27 far 0 100 0 - 9.9-10.7 Violated in 3 structures by 0.01 A. Peak 1220 from cnoeabs.peaks (8.24, 0.77, 26.59 ppm; 3.88 A): 5 out of 6 assignments used, quality = 1.00: * H LEU 27 + QD1 LEU 27 OK 100 100 100 100 3.5-4.0 6442/2.1=83, 4.7=58...(22) H SER 97 + QD1 LEU 27 OK 84 85 100 98 3.2-4.0 4.5/8645=40, 3.0/8641=33...(22) H PHE 96 + QD1 LEU 27 OK 65 79 95 86 4.4-5.7 4.5/8645=40, 6.5/8644=20...(18) H GLU 23 + QD1 LEU 27 OK 51 68 95 80 4.7-6.1 3.6/8641=28, 3.6/1222=26...(14) H LYS 94 + QD1 LEU 27 OK 47 88 80 67 4.6-5.7 3.6/10140=21...(14) H GLU 104 - QD1 LEU 27 far 0 85 0 - 9.5-13.9 Violated in 0 structures by 0.00 A. Peak 1221 from cnoeabs.peaks (4.65, 0.77, 26.59 ppm; 4.53 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 27 + QD1 LEU 27 OK 100 100 100 100 3.9-4.1 4.0=100 HA LEU 55 - QD1 LEU 27 far 0 94 0 - 6.8-7.7 Violated in 0 structures by 0.00 A. Peak 1222 from cnoeabs.peaks (1.46, 0.77, 26.59 ppm; 3.42 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LEU 27 + QD1 LEU 27 OK 100 100 100 100 2.0-2.3 3.1=100 QB ALA 22 + QD1 LEU 27 OK 88 90 100 98 1.9-3.3 2.1/8641=32, 1206/2.1=31...(36) HG LEU 29 - QD1 LEU 27 far 0 90 0 - 5.9-7.5 HG3 LYS 53 - QD1 LEU 27 far 0 99 0 - 6.6-8.2 HG2 LYS 53 - QD1 LEU 27 far 0 100 0 - 7.4-9.0 HG13 ILE 52 - QD1 LEU 27 far 0 100 0 - 7.9-11.9 HD2 LYS 53 - QD1 LEU 27 far 0 100 0 - 7.9-9.5 HG2 LYS 20 - QD1 LEU 27 far 0 100 0 - 8.2-9.8 HB2 ARG 91 - QD1 LEU 27 far 0 79 0 - 9.4-10.4 HG12 ILE 7 - QD1 LEU 27 far 0 71 0 - 9.6-10.5 HG3 ARG 91 - QD1 LEU 27 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 1223 from cnoeabs.peaks (1.34, 0.77, 26.59 ppm; 3.14 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LEU 27 + QD1 LEU 27 OK 100 100 100 100 2.3-2.6 3.1=100 QB ALA 25 + QD1 LEU 27 OK 96 100 100 97 1.9-3.0 8622/2.1=35, 8621=34...(31) HG3 LYS 94 - QD1 LEU 27 far 0 63 0 - 5.6-7.8 HB3 LEU 2 - QD1 LEU 27 far 0 99 0 - 6.0-8.2 HG2 LYS 94 - QD1 LEU 27 far 0 100 0 - 6.2-7.6 QB ALA 89 - QD1 LEU 27 far 0 100 0 - 7.2-8.2 HB3 ARG 30 - QD1 LEU 27 far 0 82 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 1224 from cnoeabs.peaks (1.60, 0.77, 26.59 ppm; 3.08 A): 1 out of 12 assignments used, quality = 1.00: * HG LEU 27 + QD1 LEU 27 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 29 - QD1 LEU 27 poor 19 100 35 55 4.3-6.2 1192/3.1=14...(14) HD3 LYS 94 - QD1 LEU 27 far 5 100 5 - 4.5-7.8 HD2 LYS 94 - QD1 LEU 27 far 0 84 0 - 4.6-7.4 HG2 LYS 24 - QD1 LEU 27 far 0 98 0 - 6.5-7.8 HB3 GLU 28 - QD1 LEU 27 far 0 68 0 - 6.9-7.2 HG LEU 103 - QD1 LEU 27 far 0 96 0 - 7.4-14.3 HG2 ARG 19 - QD1 LEU 27 far 0 98 0 - 7.6-9.9 HB2 ARG 79 - QD1 LEU 27 far 0 100 0 - 7.9-11.0 HG3 LYS 90 - QD1 LEU 27 far 0 97 0 - 8.1-10.8 HB2 LEU 103 - QD1 LEU 27 far 0 98 0 - 8.4-13.5 HB2 ARG 30 - QD1 LEU 27 far 0 100 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 1225 from cnoeabs.peaks (0.73, 0.77, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: QD1 LEU 27 + QD1 LEU 27 OK 59 59 - 100 Reference assignment not found: QD2 LEU 27 - QD1 LEU 27 Peak 1226 from cnoeabs.peaks (0.77, 0.77, 26.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 27 + QD1 LEU 27 OK 100 100 - 100 Peak 1227 from cnoeabs.peaks (7.80, 0.77, 26.59 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 28 + QD1 LEU 27 OK 100 100 100 100 4.1-4.2 4.7=93, 1219/2.1=83...(14) H GLU 99 - QD1 LEU 27 far 0 100 0 - 6.2-7.4 H LYS 20 - QD1 LEU 27 far 0 100 0 - 7.6-9.3 HE ARG 30 - QD1 LEU 27 far 0 99 0 - 8.9-12.1 Violated in 0 structures by 0.00 A. Peak 1228 from cnoeabs.peaks (7.80, 4.31, 55.46 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 28 + HA GLU 28 OK 100 100 100 100 2.9-2.9 3.0=100 HE ARG 30 - HA GLU 28 far 5 99 5 - 5.1-8.8 H LYS 20 - HA GLU 28 far 0 100 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 1229 from cnoeabs.peaks (4.31, 4.31, 55.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HA GLU 28 OK 100 100 - 100 Peak 1230 from cnoeabs.peaks (1.74, 4.31, 55.46 ppm; 3.68 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 28 + HA GLU 28 OK 100 100 100 100 2.9-3.0 3.0=100 HG3 ARG 19 - HA GLU 28 far 0 94 0 - 5.4-8.7 Violated in 0 structures by 0.00 A. Peak 1231 from cnoeabs.peaks (1.56, 4.31, 55.46 ppm; 3.28 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 28 + HA GLU 28 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 LEU 29 - HA GLU 28 poor 18 71 25 - 4.4-5.1 HG3 ARG 30 - HA GLU 28 far 0 71 0 - 4.8-5.8 HG2 ARG 19 - HA GLU 28 far 0 90 0 - 5.6-9.5 HG LEU 27 - HA GLU 28 far 0 68 0 - 5.8-6.5 HB2 LEU 3 - HA GLU 28 far 0 99 0 - 7.5-8.8 HG LEU 6 - HA GLU 28 far 0 61 0 - 8.4-10.2 Violated in 0 structures by 0.00 A. Peak 1232 from cnoeabs.peaks (2.06, 4.31, 55.46 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 28 + HA GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 HG3 GLU 28 + HA GLU 28 OK 100 100 100 100 2.1-3.2 3.7=100 HB2 GLU 23 - HA GLU 28 far 9 88 10 - 5.0-6.8 HG12 ILE 93 - HA GLU 28 far 0 84 0 - 7.8-10.7 QE MET 21 - HA GLU 28 far 0 68 0 - 8.0-9.4 HB2 MET 21 - HA GLU 28 far 0 98 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 1233 from cnoeabs.peaks (2.06, 4.31, 55.46 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 28 + HA GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 * HG3 GLU 28 + HA GLU 28 OK 100 100 100 100 2.1-3.2 3.7=100 HB2 GLU 23 - HA GLU 28 far 9 88 10 - 5.0-6.8 HG12 ILE 93 - HA GLU 28 far 0 84 0 - 7.8-10.7 QE MET 21 - HA GLU 28 far 0 68 0 - 8.0-9.4 HB2 MET 21 - HA GLU 28 far 0 98 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 1234 from cnoeabs.peaks (8.45, 4.31, 55.46 ppm; 2.98 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HA GLU 28 OK 100 100 100 100 2.1-2.3 6462=100, 6463/3.0=31...(12) H ILE 7 - HA GLU 28 far 0 100 0 - 9.1-10.6 H LYS 53 - HA GLU 28 far 0 96 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1235 from cnoeabs.peaks (7.80, 1.74, 30.51 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.5-2.7 6455=94, 1242/1.8=75...(10) HE ARG 30 - HB2 GLU 28 far 15 99 15 - 4.4-9.2 Violated in 0 structures by 0.00 A. Peak 1236 from cnoeabs.peaks (4.31, 1.74, 30.51 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1237 from cnoeabs.peaks (1.74, 1.74, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 28 + HB2 GLU 28 OK 100 100 - 100 Peak 1238 from cnoeabs.peaks (1.56, 1.74, 30.51 ppm; 2.98 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 28 + HB2 GLU 28 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 30 - HB2 GLU 28 far 0 71 0 - 5.1-6.1 HB3 LEU 29 - HB2 GLU 28 far 0 71 0 - 6.3-6.9 HB2 LEU 3 - HB2 GLU 28 far 0 99 0 - 6.6-7.8 HG LEU 27 - HB2 GLU 28 far 0 68 0 - 6.9-7.3 HG LEU 6 - HB2 GLU 28 far 0 61 0 - 7.2-9.5 HG2 ARG 19 - HB2 GLU 28 far 0 90 0 - 7.9-12.2 Violated in 0 structures by 0.00 A. Peak 1239 from cnoeabs.peaks (2.06, 1.74, 30.51 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: HG3 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 * HG2 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 23 - HB2 GLU 28 far 0 88 0 - 7.2-9.6 HB3 GLU 48 - HB2 GLU 28 far 0 96 0 - 8.6-13.8 HG12 ILE 93 - HB2 GLU 28 far 0 84 0 - 9.0-11.5 QE MET 21 - HB2 GLU 28 far 0 68 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 1240 from cnoeabs.peaks (2.06, 1.74, 30.51 ppm; 3.41 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 28 + HB2 GLU 28 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 GLU 23 - HB2 GLU 28 far 0 88 0 - 7.2-9.6 HB3 GLU 48 - HB2 GLU 28 far 0 96 0 - 8.6-13.8 HG12 ILE 93 - HB2 GLU 28 far 0 84 0 - 9.0-11.5 QE MET 21 - HB2 GLU 28 far 0 68 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 1241 from cnoeabs.peaks (8.45, 1.74, 30.51 ppm; 4.82 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 29 + HB2 GLU 28 OK 100 100 100 100 4.3-4.6 4.6=100 H LYS 53 - HB2 GLU 28 far 0 96 0 - 7.5-9.3 H VAL 54 - HB2 GLU 28 far 0 59 0 - 8.8-10.7 H ILE 7 - HB2 GLU 28 far 0 100 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1242 from cnoeabs.peaks (7.80, 1.56, 30.51 ppm; 3.75 A): 1 out of 2 assignments used, quality = 0.99: * H GLU 28 + HB3 GLU 28 OK 99 100 100 99 3.5-3.7 4.0=81, 1235/1.8=73...(11) HE ARG 30 - HB3 GLU 28 poor 20 99 20 - 3.4-7.7 Violated in 0 structures by 0.00 A. Peak 1243 from cnoeabs.peaks (4.31, 1.56, 30.51 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.5-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1244 from cnoeabs.peaks (1.74, 1.56, 30.51 ppm; 2.95 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 28 + HB3 GLU 28 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 19 - HB3 GLU 28 far 0 94 0 - 7.1-10.0 Violated in 0 structures by 0.00 A. Peak 1245 from cnoeabs.peaks (1.56, 1.56, 30.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 28 + HB3 GLU 28 OK 100 100 - 100 Peak 1246 from cnoeabs.peaks (2.06, 1.56, 30.51 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.2-2.7 3.0=100 HG3 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 23 - HB3 GLU 28 far 0 88 0 - 7.0-9.4 HG12 ILE 93 - HB3 GLU 28 far 0 84 0 - 9.3-11.8 HB3 GLU 48 - HB3 GLU 28 far 0 96 0 - 9.6-14.7 QE MET 21 - HB3 GLU 28 far 0 68 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1247 from cnoeabs.peaks (2.06, 1.56, 30.51 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: HG2 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.2-2.7 3.0=100 * HG3 GLU 28 + HB3 GLU 28 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 GLU 23 - HB3 GLU 28 far 0 88 0 - 7.0-9.4 HG12 ILE 93 - HB3 GLU 28 far 0 84 0 - 9.3-11.8 HB3 GLU 48 - HB3 GLU 28 far 0 96 0 - 9.6-14.7 QE MET 21 - HB3 GLU 28 far 0 68 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1248 from cnoeabs.peaks (8.45, 1.56, 30.51 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB3 GLU 28 OK 100 100 100 100 3.4-4.1 4.6=100 H ILE 7 - HB3 GLU 28 far 0 100 0 - 8.9-10.4 H LYS 53 - HB3 GLU 28 far 0 96 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 1249 from cnoeabs.peaks (7.80, 2.06, 35.83 ppm; 4.24 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 28 + HG2 GLU 28 OK 99 100 100 99 4.1-4.9 1242/3.0=70, 1235/3.0=69...(10) H GLU 28 + HG3 GLU 28 OK 99 100 100 99 3.5-4.3 1242/3.0=70, 1235/3.0=69...(10) HE ARG 30 - HG2 GLU 28 far 10 99 10 - 4.9-9.4 HE ARG 30 - HG3 GLU 28 far 0 99 0 - 6.0-9.9 H LYS 20 - HG2 GLU 28 far 0 100 0 - 9.1-12.4 H LYS 20 - HG3 GLU 28 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1250 from cnoeabs.peaks (4.31, 2.06, 35.83 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 HA GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.1-3.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 1251 from cnoeabs.peaks (1.74, 2.06, 35.83 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: HB2 GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 19 - HG2 GLU 28 far 0 94 0 - 6.3-11.0 HG3 ARG 19 - HG3 GLU 28 far 0 94 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 1252 from cnoeabs.peaks (1.56, 2.06, 35.83 ppm; 3.74 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.2-2.7 3.0=100 HB3 GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 30 - HG2 GLU 28 far 0 71 0 - 5.3-6.6 HG3 ARG 30 - HG3 GLU 28 far 0 71 0 - 6.0-7.0 HB3 LEU 29 - HG2 GLU 28 far 0 71 0 - 6.2-8.1 HG LEU 27 - HG3 GLU 28 far 0 68 0 - 6.6-7.7 HB3 LEU 29 - HG3 GLU 28 far 0 71 0 - 6.7-8.0 HG2 ARG 19 - HG2 GLU 28 far 0 90 0 - 6.9-11.9 HG LEU 27 - HG2 GLU 28 far 0 68 0 - 7.2-8.8 HB2 LEU 3 - HG3 GLU 28 far 0 99 0 - 7.2-9.4 HG2 ARG 19 - HG3 GLU 28 far 0 90 0 - 7.3-12.4 HB2 LEU 3 - HG2 GLU 28 far 0 99 0 - 8.3-10.2 HG LEU 6 - HG3 GLU 28 far 0 61 0 - 9.5-11.7 HG LEU 6 - HG2 GLU 28 far 0 61 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1253 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 * HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 1254 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Reference assignment not found: HG3 GLU 28 - HG2 GLU 28 Peak 1255 from cnoeabs.peaks (8.45, 2.06, 35.83 ppm; 4.87 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 29 + HG2 GLU 28 OK 100 100 100 100 4.1-5.4 5.0=93, 6462/3.7=87...(10) H LEU 29 + HG3 GLU 28 OK 100 100 100 100 4.3-5.4 5.0=93, 6462/3.7=87...(10) H LYS 53 - HG3 GLU 28 far 0 96 0 - 8.4-11.5 H LYS 53 - HG2 GLU 28 far 0 96 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 1256 from cnoeabs.peaks (7.80, 2.06, 35.83 ppm; 4.24 A): 2 out of 6 assignments used, quality = 1.00: H GLU 28 + HG2 GLU 28 OK 99 100 100 99 4.1-4.9 1242/3.0=70, 1235/3.0=69...(10) * H GLU 28 + HG3 GLU 28 OK 99 100 100 99 3.5-4.3 1242/3.0=70, 1235/3.0=69...(10) HE ARG 30 - HG2 GLU 28 far 10 99 10 - 4.9-9.4 HE ARG 30 - HG3 GLU 28 far 0 99 0 - 6.0-9.9 H LYS 20 - HG2 GLU 28 far 0 100 0 - 9.1-12.4 H LYS 20 - HG3 GLU 28 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1257 from cnoeabs.peaks (4.31, 2.06, 35.83 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.0-3.6 3.7=100 * HA GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.1-3.2 3.7=100 Violated in 0 structures by 0.00 A. Peak 1258 from cnoeabs.peaks (1.74, 2.06, 35.83 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HB2 GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 19 - HG2 GLU 28 far 0 94 0 - 6.3-11.0 HG3 ARG 19 - HG3 GLU 28 far 0 94 0 - 8.1-11.5 Violated in 0 structures by 0.00 A. Peak 1259 from cnoeabs.peaks (1.56, 2.06, 35.83 ppm; 3.74 A): 2 out of 14 assignments used, quality = 1.00: HB3 GLU 28 + HG2 GLU 28 OK 100 100 100 100 2.2-2.7 3.0=100 * HB3 GLU 28 + HG3 GLU 28 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 ARG 30 - HG2 GLU 28 far 0 71 0 - 5.3-6.6 HG3 ARG 30 - HG3 GLU 28 far 0 71 0 - 6.0-7.0 HB3 LEU 29 - HG2 GLU 28 far 0 71 0 - 6.2-8.1 HG LEU 27 - HG3 GLU 28 far 0 68 0 - 6.6-7.7 HB3 LEU 29 - HG3 GLU 28 far 0 71 0 - 6.7-8.0 HG2 ARG 19 - HG2 GLU 28 far 0 90 0 - 6.9-11.9 HG LEU 27 - HG2 GLU 28 far 0 68 0 - 7.2-8.8 HB2 LEU 3 - HG3 GLU 28 far 0 99 0 - 7.2-9.4 HG2 ARG 19 - HG3 GLU 28 far 0 90 0 - 7.3-12.4 HB2 LEU 3 - HG2 GLU 28 far 0 99 0 - 8.3-10.2 HG LEU 6 - HG3 GLU 28 far 0 61 0 - 9.5-11.7 HG LEU 6 - HG2 GLU 28 far 0 61 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1260 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Reference assignment not found: HG2 GLU 28 - HG3 GLU 28 Peak 1261 from cnoeabs.peaks (2.06, 2.06, 35.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 28 + HG3 GLU 28 OK 100 100 - 100 HG2 GLU 28 + HG2 GLU 28 OK 100 100 - 100 Peak 1262 from cnoeabs.peaks (8.45, 2.06, 35.83 ppm; 4.87 A): 2 out of 4 assignments used, quality = 1.00: H LEU 29 + HG2 GLU 28 OK 100 100 100 100 4.1-5.4 5.0=93, 6462/3.7=87...(10) * H LEU 29 + HG3 GLU 28 OK 100 100 100 100 4.3-5.4 5.0=93, 6462/3.7=87...(10) H LYS 53 - HG3 GLU 28 far 0 96 0 - 8.4-11.5 H LYS 53 - HG2 GLU 28 far 0 96 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 1263 from cnoeabs.peaks (8.45, 5.66, 53.19 ppm; 4.35 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 29 + HA LEU 29 OK 100 100 100 100 2.9-2.9 2.9=100 H ILE 7 + HA LEU 29 OK 55 100 60 92 4.8-6.4 8238/6476=62...(10) H VAL 32 - HA LEU 29 far 0 79 0 - 8.2-9.1 H VAL 54 - HA LEU 29 far 0 59 0 - 9.3-10.4 H LYS 53 - HA LEU 29 far 0 96 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1264 from cnoeabs.peaks (5.66, 5.66, 53.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HA LEU 29 OK 100 100 - 100 Peak 1265 from cnoeabs.peaks (1.16, 5.66, 53.19 ppm; 3.92 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + HA LEU 29 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 LEU 6 - HA LEU 29 far 0 92 0 - 5.6-6.6 QG2 THR 31 - HA LEU 29 far 0 93 0 - 6.0-6.7 HB3 LEU 3 - HA LEU 29 far 0 99 0 - 7.9-9.5 HB2 LEU 57 - HA LEU 29 far 0 65 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1266 from cnoeabs.peaks (1.60, 5.66, 53.19 ppm; 4.03 A): 3 out of 5 assignments used, quality = 1.00: * HB3 LEU 29 + HA LEU 29 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 GLU 28 + HA LEU 29 OK 69 71 100 97 4.7-4.9 3.0/10491=41, ~6463=39...(14) HG2 ARG 19 + HA LEU 29 OK 43 99 50 87 4.4-8.7 1274/2.9=31...(12) HB2 ARG 30 - HA LEU 29 far 10 100 10 - 4.2-5.6 HG LEU 27 - HA LEU 29 far 0 100 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 1267 from cnoeabs.peaks (1.44, 5.66, 53.19 ppm; 3.75 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 29 + HA LEU 29 OK 100 100 100 100 2.6-3.8 3.6=100 QB ALA 22 + HA LEU 29 OK 99 100 100 99 3.2-3.7 8577/2.9=56, 8586/2.9=41...(23) HB2 LEU 27 + HA LEU 29 OK 48 90 65 82 4.8-5.6 8633/8175=27...(16) HG12 ILE 7 - HA LEU 29 far 0 99 0 - 7.9-8.8 HG2 LYS 20 - HA LEU 29 far 0 90 0 - 9.4-10.2 HG LEU 38 - HA LEU 29 far 0 87 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1268 from cnoeabs.peaks (0.64, 5.66, 53.19 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HA LEU 29 OK 100 100 100 100 1.9-4.0 1296=87, 2.1/1304=65...(20) QD1 LEU 29 + HA LEU 29 OK 98 99 100 100 1.9-3.6 1304=85, 2.1/1296=65...(23) QD1 ILE 7 - HA LEU 29 far 0 90 0 - 5.3-6.2 QG2 VAL 54 - HA LEU 29 far 0 98 0 - 6.7-7.9 QD1 LEU 14 - HA LEU 29 far 0 68 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 1269 from cnoeabs.peaks (0.65, 5.66, 53.19 ppm; 3.78 A): 3 out of 7 assignments used, quality = 1.00: * QD1 LEU 29 + HA LEU 29 OK 100 100 100 100 1.9-3.6 1304=87, 2.1/1296=65...(23) QD2 LEU 29 + HA LEU 29 OK 98 99 100 100 1.9-4.0 1296=86, 2.1/1304=65...(20) QD2 LEU 6 + HA LEU 29 OK 43 71 95 63 3.1-5.7 10232/6476=31...(8) QD1 ILE 7 - HA LEU 29 far 0 71 0 - 5.3-6.2 QG2 VAL 54 - HA LEU 29 far 0 100 0 - 6.7-7.9 QD1 LEU 14 - HA LEU 29 far 0 87 0 - 9.5-10.6 QD1 LEU 42 - HA LEU 29 far 0 68 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 1270 from cnoeabs.peaks (9.09, 5.66, 53.19 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HA LEU 29 OK 100 100 100 100 2.2-2.3 6476=100, 1294/3.6=34...(17) Violated in 0 structures by 0.00 A. Peak 1271 from cnoeabs.peaks (8.45, 1.16, 44.91 ppm; 4.41 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.2-2.9 4.0=100 H ILE 7 - HB2 LEU 29 far 5 100 5 - 5.7-7.6 H VAL 32 - HB2 LEU 29 far 0 79 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 1272 from cnoeabs.peaks (5.66, 1.16, 44.91 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1273 from cnoeabs.peaks (1.16, 1.16, 44.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 29 + HB2 LEU 29 OK 100 100 - 100 Peak 1274 from cnoeabs.peaks (1.60, 1.16, 44.91 ppm; 3.36 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LEU 29 + HB2 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 19 + HB2 LEU 29 OK 73 99 80 93 2.0-6.3 ~8673=26, 8518/3.1=23...(24) HB3 GLU 28 - HB2 LEU 29 far 0 71 0 - 5.8-6.3 HB2 ARG 30 - HB2 LEU 29 far 0 100 0 - 6.0-7.5 HG LEU 27 - HB2 LEU 29 far 0 100 0 - 6.1-8.5 HG3 LYS 90 - HB2 LEU 29 far 0 98 0 - 8.3-11.4 HD3 LYS 94 - HB2 LEU 29 far 0 100 0 - 9.5-13.1 HG2 LYS 24 - HB2 LEU 29 far 0 99 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 1275 from cnoeabs.peaks (1.44, 1.16, 44.91 ppm; 3.66 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 22 + HB2 LEU 29 OK 100 100 100 100 1.8-2.9 8577=80, 8586/6468=34...(28) HB2 LEU 27 + HB2 LEU 29 OK 21 90 30 80 4.2-6.2 1192/1.8=24...(15) HG2 LYS 20 - HB2 LEU 29 far 0 90 0 - 6.6-7.8 HG12 ILE 7 - HB2 LEU 29 far 0 99 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 1276 from cnoeabs.peaks (0.64, 1.16, 44.91 ppm; 3.64 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 29 + HB2 LEU 29 OK 99 99 100 100 2.1-3.2 3.1=100 QD1 ILE 7 + HB2 LEU 29 OK 21 90 30 77 4.3-5.9 277/3.0=24, 1284/1.8=12...(22) QD1 LEU 14 - HB2 LEU 29 far 0 68 0 - 8.4-10.1 QG2 VAL 54 - HB2 LEU 29 far 0 98 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 1277 from cnoeabs.peaks (0.65, 1.16, 44.91 ppm; 3.64 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 29 + HB2 LEU 29 OK 100 100 100 100 2.1-3.2 3.1=100 QD2 LEU 29 + HB2 LEU 29 OK 99 99 100 100 2.0-3.2 3.1=100 QD1 ILE 7 - HB2 LEU 29 poor 16 71 30 73 4.3-5.9 277/3.0=17, 1284/1.8=11...(22) QD2 LEU 6 - HB2 LEU 29 far 7 71 10 - 5.0-8.0 QD1 LEU 14 - HB2 LEU 29 far 0 87 0 - 8.4-10.1 QG2 VAL 54 - HB2 LEU 29 far 0 100 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 1278 from cnoeabs.peaks (9.09, 1.16, 44.91 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HB2 LEU 29 OK 100 100 100 100 3.7-4.1 4.3=100 Violated in 0 structures by 0.00 A. Peak 1279 from cnoeabs.peaks (8.45, 1.60, 44.91 ppm; 4.30 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.2-3.0 4.0=100 H ILE 7 - HB3 LEU 29 far 0 100 0 - 6.1-7.6 H VAL 32 - HB3 LEU 29 far 0 79 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 1280 from cnoeabs.peaks (5.66, 1.60, 44.91 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 1281 from cnoeabs.peaks (1.16, 1.60, 44.91 ppm; 3.41 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 THR 31 - HB3 LEU 29 far 0 93 0 - 5.6-6.7 HB2 LEU 6 - HB3 LEU 29 far 0 92 0 - 7.0-8.9 HB2 LEU 57 - HB3 LEU 29 far 0 65 0 - 7.9-10.8 HB3 LEU 3 - HB3 LEU 29 far 0 99 0 - 8.1-11.0 Violated in 0 structures by 0.00 A. Peak 1282 from cnoeabs.peaks (1.60, 1.60, 44.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 29 + HB3 LEU 29 OK 100 100 - 100 Peak 1283 from cnoeabs.peaks (1.44, 1.60, 44.91 ppm; 3.74 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.3-3.0 3.0=100 QB ALA 22 + HB3 LEU 29 OK 100 100 100 100 1.7-3.2 8577/1.8=71, 8581=38...(31) HB2 LEU 27 + HB3 LEU 29 OK 61 90 85 81 4.2-5.8 1192=32, 10482/1.8=17...(16) HG2 LYS 20 - HB3 LEU 29 far 0 90 0 - 6.7-8.1 HG12 ILE 7 - HB3 LEU 29 far 0 99 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 1284 from cnoeabs.peaks (0.64, 1.60, 44.91 ppm; 3.65 A): 3 out of 5 assignments used, quality = 1.00: * QD2 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.3-3.2 3.1=100 QD1 LEU 29 + HB3 LEU 29 OK 99 99 100 100 2.0-3.2 3.1=100 QD1 ILE 7 + HB3 LEU 29 OK 38 90 55 78 4.3-6.2 277/3.0=24, 8279/1.8=17...(20) QD1 LEU 14 - HB3 LEU 29 far 0 68 0 - 8.2-9.8 QG2 VAL 54 - HB3 LEU 29 far 0 98 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 1285 from cnoeabs.peaks (0.65, 1.60, 44.91 ppm; 3.65 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 29 + HB3 LEU 29 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 29 + HB3 LEU 29 OK 99 99 100 100 2.3-3.2 3.1=100 QD1 ILE 7 + HB3 LEU 29 OK 29 71 55 73 4.3-6.2 277/3.0=18, 8279/1.8=12...(20) QD2 LEU 6 - HB3 LEU 29 poor 11 71 35 43 4.9-7.7 10232/4.3=21...(10) QD1 LEU 14 - HB3 LEU 29 far 0 87 0 - 8.2-9.8 QG2 VAL 54 - HB3 LEU 29 far 0 100 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 1286 from cnoeabs.peaks (9.09, 1.60, 44.91 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HB3 LEU 29 OK 100 100 100 100 3.7-4.1 4.3=100 Violated in 0 structures by 0.00 A. Peak 1287 from cnoeabs.peaks (8.45, 1.44, 27.00 ppm; 4.53 A): 4 out of 11 assignments used, quality = 1.00: * H LEU 29 + HG LEU 29 OK 100 100 100 100 4.2-4.8 6468/3.0=78, 5.0=73...(20) H ILE 7 + HG LEU 29 OK 67 100 70 97 4.1-6.6 8238/1294=52...(13) H LYS 53 + HG13 ILE 52 OK 60 60 100 100 2.3-4.9 6871/1.8=73, 6868/3.8=71...(20) H ALA 67 + HG LEU 38 OK 38 51 95 80 2.8-6.9 ~9526=16, ~1659=13...(20) H VAL 54 - HG13 ILE 52 poor 17 33 70 73 4.6-7.8 2365/1.8=27, 2381/2.1=23...(12) H ILE 7 - HG LEU 38 far 4 72 5 - 5.6-9.5 H VAL 32 - HG LEU 38 far 3 51 5 - 6.0-8.2 H VAL 32 - HG LEU 29 far 0 79 0 - 6.8-9.0 H VAL 54 - HG13 ILE 76 far 0 44 0 - 8.0-9.5 H LYS 53 - HG13 ILE 76 far 0 77 0 - 8.2-10.1 H THR 80 - HG LEU 38 far 0 42 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 1288 from cnoeabs.peaks (5.66, 1.44, 27.00 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 29 + HG LEU 29 OK 100 100 100 100 2.6-3.8 3.6=100 HA LEU 29 - HG LEU 38 far 0 73 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1289 from cnoeabs.peaks (1.16, 1.44, 27.00 ppm; 3.68 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.3-3.0 3.0=100 QG2 THR 31 + HG LEU 29 OK 59 93 75 85 3.6-5.6 1297/2.1=34, 1305/2.1=28...(15) HB2 LEU 6 - HG LEU 29 far 5 92 5 - 5.1-8.1 HB2 LEU 6 - HG LEU 38 far 3 62 5 - 4.1-8.1 HB3 LEU 3 - HG13 ILE 52 far 0 65 0 - 5.7-10.1 QG2 THR 34 - HG LEU 38 far 0 67 0 - 6.1-8.6 HB2 LEU 57 - HG LEU 29 far 0 65 0 - 7.3-8.9 QG2 THR 31 - HG LEU 38 far 0 63 0 - 7.9-10.4 HG2 LYS 40 - HG LEU 38 far 0 73 0 - 8.5-11.4 HB2 LEU 57 - HG3 ARG 91 far 0 43 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 1290 from cnoeabs.peaks (1.60, 1.44, 27.00 ppm; 3.52 A): 3 out of 20 assignments used, quality = 1.00: * HB3 LEU 29 + HG LEU 29 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 19 + HG LEU 29 OK 87 99 90 98 2.2-7.2 ~8673=40, 8518/2.1=32...(27) HG3 LYS 90 + HG3 ARG 91 OK 29 72 55 75 2.8-6.3 7436/4.8=19...(19) HD3 LYS 94 - HG3 ARG 91 far 4 76 5 - 5.0-9.1 HD2 LYS 94 - HG3 ARG 91 far 3 54 5 - 4.7-10.2 HB2 ARG 30 - HG LEU 29 far 0 100 0 - 5.3-7.6 HG3 LYS 47 - HG13 ILE 76 far 0 65 0 - 6.4-9.6 HB2 ARG 30 - HG LEU 38 far 0 72 0 - 6.7-11.1 HD2 LYS 66 - HG LEU 38 far 0 73 0 - 6.7-11.0 HB3 GLU 28 - HG LEU 29 far 0 71 0 - 6.8-8.2 HG3 LYS 90 - HG LEU 29 far 0 98 0 - 7.6-11.9 HG3 LYS 47 - HG13 ILE 52 far 0 50 0 - 7.8-12.3 HG LEU 27 - HG LEU 29 far 0 100 0 - 8.1-10.2 HG3 LYS 73 - HG LEU 38 far 0 73 0 - 8.3-12.4 HB3 GLU 28 - HG13 ILE 52 far 0 41 0 - 8.7-12.7 HG3 LYS 73 - HG13 ILE 76 far 0 85 0 - 9.3-11.0 HD3 LYS 94 - HG LEU 29 far 0 100 0 - 9.5-14.7 HB2 ARG 79 - HG13 ILE 52 far 0 67 0 - 9.7-13.7 HD2 LYS 94 - HG LEU 29 far 0 81 0 - 9.7-13.5 HG LEU 27 - HG13 ILE 52 far 0 67 0 - 9.9-14.4 Violated in 0 structures by 0.00 A. Peak 1291 from cnoeabs.peaks (1.44, 1.44, 27.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG LEU 29 + HG LEU 29 OK 100 100 - 100 HG13 ILE 76 + HG13 ILE 76 OK 85 85 - 100 HG3 ARG 91 + HG3 ARG 91 OK 68 68 - 100 HG LEU 38 + HG LEU 38 OK 57 57 - 100 HG13 ILE 52 + HG13 ILE 52 OK 54 54 - 100 Peak 1292 from cnoeabs.peaks (0.64, 1.44, 27.00 ppm; 3.08 A): 4 out of 16 assignments used, quality = 1.00: * QD2 LEU 29 + HG LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 29 + HG LEU 29 OK 99 99 100 100 2.1-2.1 2.1=100 QD1 ILE 7 + HG LEU 29 OK 74 90 100 83 3.3-4.3 277=29, 3.0/253=16...(22) QG2 VAL 54 + HG13 ILE 52 OK 33 63 75 69 2.6-5.6 9240/1.8=37, 10208=11...(16) QG2 VAL 54 - HG13 ILE 76 far 0 81 0 - 4.7-6.0 QD1 LEU 14 - HG3 ARG 91 far 0 44 0 - 6.6-7.1 QG2 VAL 58 - HG LEU 38 far 0 45 0 - 6.6-9.6 QD1 LEU 14 - HG LEU 29 far 0 68 0 - 7.3-8.7 QD2 LEU 29 - HG LEU 38 far 0 73 0 - 7.7-12.9 QG2 VAL 54 - HG LEU 38 far 0 69 0 - 7.7-10.6 QD1 ILE 7 - HG3 ARG 91 far 0 62 0 - 7.8-8.7 QG2 VAL 54 - HG LEU 29 far 0 98 0 - 8.2-10.7 QD1 ILE 7 - HG LEU 38 far 0 60 0 - 8.7-11.9 QD1 LEU 29 - HG LEU 38 far 0 70 0 - 8.8-11.4 QD2 LEU 29 - HG3 ARG 91 far 0 76 0 - 8.9-11.3 QD1 LEU 29 - HG3 ARG 91 far 0 73 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 1293 from cnoeabs.peaks (0.65, 1.44, 27.00 ppm; 3.08 A): 5 out of 23 assignments used, quality = 1.00: * QD1 LEU 29 + HG LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 29 + HG LEU 29 OK 99 99 100 100 2.1-2.1 2.1=100 QD1 ILE 7 + HG LEU 29 OK 56 71 100 79 3.3-4.3 277=21, 3.0/253=16...(22) QG2 VAL 54 + HG13 ILE 52 OK 35 67 75 70 2.6-5.6 9240/1.8=38, 10208=11...(16) QD1 LEU 42 + HG LEU 38 OK 21 42 70 71 2.4-5.0 ~12068=14, ~8921=12...(19) QD2 LEU 6 - HG LEU 29 poor 14 71 20 - 3.6-7.8 QD2 LEU 6 - HG LEU 38 far 2 45 5 - 4.3-8.2 QG2 VAL 54 - HG13 ILE 76 far 0 85 0 - 4.7-6.0 QD1 LEU 42 - HG13 ILE 76 far 0 51 0 - 5.2-6.2 QD1 LEU 14 - HG3 ARG 91 far 0 60 0 - 6.6-7.1 QG2 VAL 58 - HG LEU 38 far 0 60 0 - 6.6-9.6 QD1 LEU 14 - HG LEU 29 far 0 87 0 - 7.3-8.7 QD2 LEU 6 - HG13 ILE 52 far 0 41 0 - 7.4-10.6 QD2 LEU 29 - HG LEU 38 far 0 70 0 - 7.7-12.9 QG2 VAL 54 - HG LEU 38 far 0 73 0 - 7.7-10.6 QD1 ILE 7 - HG3 ARG 91 far 0 47 0 - 7.8-8.7 QD1 LEU 42 - HG13 ILE 52 far 0 38 0 - 8.0-11.1 QG2 VAL 54 - HG LEU 29 far 0 100 0 - 8.2-10.7 QD1 ILE 7 - HG LEU 38 far 0 45 0 - 8.7-11.9 QD1 LEU 29 - HG LEU 38 far 0 73 0 - 8.8-11.4 QD2 LEU 6 - HG13 ILE 76 far 0 54 0 - 8.8-10.1 QD2 LEU 29 - HG3 ARG 91 far 0 73 0 - 8.9-11.3 QD1 LEU 29 - HG3 ARG 91 far 0 76 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 1294 from cnoeabs.peaks (9.09, 1.44, 27.00 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + HG LEU 29 OK 100 100 100 100 1.8-4.2 6479=79, 1302/2.1=74...(21) H ARG 30 - HG LEU 38 far 0 73 0 - 8.1-11.8 Violated in 7 structures by 0.01 A. Peak 1295 from cnoeabs.peaks (8.45, 0.64, 24.70 ppm; 3.95 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 29 + QD2 LEU 29 OK 100 100 100 100 3.8-4.2 6468/3.1=61, 2.9/1296=59...(19) H ILE 7 + QD2 LEU 29 OK 97 100 100 97 2.1-5.2 8238/1302=41...(22) H VAL 32 - QD2 LEU 29 far 0 79 0 - 5.7-7.2 H VAL 54 - QD2 LEU 29 far 0 59 0 - 8.4-11.7 H LYS 53 - QD2 LEU 29 far 0 96 0 - 9.6-13.0 Violated in 2 structures by 0.00 A. Peak 1296 from cnoeabs.peaks (5.66, 0.64, 24.70 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + QD2 LEU 29 OK 100 100 100 100 1.9-4.0 4.1=92, 1304/2.1=71...(22) Violated in 7 structures by 0.01 A. Peak 1297 from cnoeabs.peaks (1.16, 0.64, 24.70 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 THR 31 + QD2 LEU 29 OK 86 93 100 93 2.7-4.1 6501/12050=32, 8731=32...(22) HB2 LEU 6 - QD2 LEU 29 poor 15 92 25 64 4.1-6.7 3.0/8684=21, ~8687=14...(15) HB2 LEU 57 - QD2 LEU 29 far 0 65 0 - 5.3-7.5 HB3 LEU 3 - QD2 LEU 29 far 0 99 0 - 7.8-10.9 Violated in 0 structures by 0.00 A. Peak 1298 from cnoeabs.peaks (1.60, 0.64, 24.70 ppm; 3.12 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.3-3.2 3.1=98, 2.9/1296=37...(20) HG2 ARG 19 + QD2 LEU 29 OK 87 99 90 99 1.9-5.6 1.8/8673=52, 8518/2.1=25...(36) HB2 ARG 30 + QD2 LEU 29 OK 24 100 30 81 4.1-6.6 6493/12050=31...(14) HG3 LYS 90 - QD2 LEU 29 far 0 98 0 - 5.5-9.5 HB3 GLU 28 - QD2 LEU 29 far 0 71 0 - 5.9-7.3 HG LEU 27 - QD2 LEU 29 far 0 100 0 - 7.0-8.6 HD3 LYS 94 - QD2 LEU 29 far 0 100 0 - 8.3-11.0 HD2 LYS 94 - QD2 LEU 29 far 0 81 0 - 8.5-11.4 HB2 ARG 79 - QD2 LEU 29 far 0 100 0 - 8.5-13.8 HG3 LYS 12 - QD2 LEU 29 far 0 100 0 - 8.7-12.1 HG LEU 103 - QD2 LEU 29 far 0 97 0 - 9.5-19.1 HG2 LYS 24 - QD2 LEU 29 far 0 99 0 - 9.5-11.3 Violated in 1 structures by 0.00 A. Peak 1299 from cnoeabs.peaks (1.44, 0.64, 24.70 ppm; 2.95 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 29 + QD2 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 22 + QD2 LEU 29 OK 95 100 100 95 2.5-3.8 8580=36, 8577/3.1=32...(28) HG12 ILE 7 - QD2 LEU 29 far 15 99 15 - 3.5-5.8 HG2 LYS 20 - QD2 LEU 29 far 0 90 0 - 4.9-7.4 HB2 LEU 27 - QD2 LEU 29 far 0 90 0 - 5.3-6.6 HG LEU 38 - QD2 LEU 29 far 0 87 0 - 7.7-12.9 HG2 LYS 13 - QD2 LEU 29 far 0 100 0 - 8.8-10.8 HG3 ARG 91 - QD2 LEU 29 far 0 95 0 - 8.9-11.3 HG2 LYS 12 - QD2 LEU 29 far 0 99 0 - 9.1-11.0 QB ALA 71 - QD2 LEU 29 far 0 85 0 - 9.2-11.9 HB2 LEU 38 - QD2 LEU 29 far 0 92 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1300 from cnoeabs.peaks (0.64, 0.64, 24.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 29 + QD2 LEU 29 OK 100 100 - 100 Peak 1301 from cnoeabs.peaks (0.65, 0.64, 24.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 29 + QD2 LEU 29 OK 99 99 - 100 Reference assignment not found: QD1 LEU 29 - QD2 LEU 29 Peak 1302 from cnoeabs.peaks (9.09, 0.64, 24.70 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + QD2 LEU 29 OK 100 100 100 100 1.8-4.0 4.6=68, 1294/2.1=68...(23) H VAL 83 - QD2 LEU 29 far 0 94 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 1303 from cnoeabs.peaks (8.45, 0.65, 26.64 ppm; 4.56 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 29 + QD1 LEU 29 OK 100 100 100 100 3.8-4.3 4.8=85, 6468/3.1=77...(20) H ILE 7 + QD1 LEU 29 OK 98 100 100 99 2.3-4.7 8238/1310=51...(22) H VAL 32 + QD1 LEU 29 OK 40 79 80 64 5.2-7.2 4.0/1305=26, 4.7/8725=19...(11) H VAL 54 - QD1 LEU 29 far 0 59 0 - 8.8-11.7 H THR 80 - QD1 LEU 29 far 0 68 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 1304 from cnoeabs.peaks (5.66, 0.65, 26.64 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 29 + QD1 LEU 29 OK 100 100 100 100 1.9-3.6 4.1=93, 1296/2.1=71...(23) Violated in 0 structures by 0.00 A. Peak 1305 from cnoeabs.peaks (1.16, 0.65, 26.64 ppm; 3.43 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.1-3.2 3.1=100 QG2 THR 31 + QD1 LEU 29 OK 84 93 100 91 2.7-4.3 1297/2.1=31, 8731=27...(18) HB2 LEU 6 + QD1 LEU 29 OK 37 92 60 67 3.8-6.2 3.0/8687=24, ~8684=18...(18) HB2 LEU 57 - QD1 LEU 29 far 3 65 5 - 4.9-8.1 HB3 LEU 3 - QD1 LEU 29 far 0 99 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 1306 from cnoeabs.peaks (1.60, 0.65, 26.64 ppm; 3.59 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 ARG 19 + QD1 LEU 29 OK 98 99 100 100 1.9-4.9 8518=46, ~8673=42...(38) HB2 ARG 30 + QD1 LEU 29 OK 71 100 85 83 4.4-6.6 4.0/1310=34...(16) HG3 LYS 90 - QD1 LEU 29 far 0 98 0 - 5.9-9.6 HB3 GLU 28 - QD1 LEU 29 far 0 71 0 - 6.1-7.3 HG LEU 27 - QD1 LEU 29 far 0 100 0 - 6.9-9.1 HD3 LYS 94 - QD1 LEU 29 far 0 100 0 - 7.9-11.6 HD2 LYS 94 - QD1 LEU 29 far 0 81 0 - 8.5-11.2 HG LEU 103 - QD1 LEU 29 far 0 97 0 - 8.7-17.0 HB2 ARG 79 - QD1 LEU 29 far 0 100 0 - 8.8-12.0 HG2 LYS 24 - QD1 LEU 29 far 0 99 0 - 8.8-12.0 HB2 LEU 103 - QD1 LEU 29 far 0 99 0 - 9.7-15.5 Violated in 0 structures by 0.00 A. Peak 1307 from cnoeabs.peaks (1.44, 0.65, 26.64 ppm; 2.93 A): 3 out of 11 assignments used, quality = 1.00: * HG LEU 29 + QD1 LEU 29 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 22 + QD1 LEU 29 OK 95 100 100 95 2.3-4.0 8580=33, 8577/3.1=32...(28) HG12 ILE 7 + QD1 LEU 29 OK 36 99 45 81 3.9-5.7 263/2.1=15, ~277=12...(26) HB2 LEU 27 - QD1 LEU 29 far 0 90 0 - 5.4-7.2 HG2 LYS 20 - QD1 LEU 29 far 0 90 0 - 5.7-7.8 HB2 LEU 38 - QD1 LEU 29 far 0 92 0 - 8.5-12.3 HG LEU 38 - QD1 LEU 29 far 0 87 0 - 8.8-11.4 QB ALA 71 - QD1 LEU 29 far 0 85 0 - 9.0-11.8 HG2 LYS 12 - QD1 LEU 29 far 0 99 0 - 9.1-11.6 HG3 ARG 91 - QD1 LEU 29 far 0 95 0 - 9.2-11.8 HG2 LYS 13 - QD1 LEU 29 far 0 100 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 1308 from cnoeabs.peaks (0.64, 0.65, 26.64 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 29 + QD1 LEU 29 OK 99 99 - 100 Reference assignment not found: QD2 LEU 29 - QD1 LEU 29 Peak 1309 from cnoeabs.peaks (0.65, 0.65, 26.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 29 + QD1 LEU 29 OK 100 100 - 100 Peak 1310 from cnoeabs.peaks (9.09, 0.65, 26.64 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 30 + QD1 LEU 29 OK 100 100 100 100 1.8-3.6 4.6=84, 1302/2.1=79...(27) H VAL 83 - QD1 LEU 29 far 0 94 0 - 8.7-11.3 Violated in 0 structures by 0.00 A. Peak 1311 from cnoeabs.peaks (9.09, 4.91, 53.42 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HA ARG 30 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1312 from cnoeabs.peaks (4.91, 4.91, 53.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HA ARG 30 OK 100 100 - 100 Peak 1313 from cnoeabs.peaks (1.60, 4.91, 53.42 ppm; 6.30 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HA ARG 30 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 29 + HA ARG 30 OK 100 100 100 100 4.6-5.7 ~6476=80, ~1270=76...(17) HG2 ARG 19 + HA ARG 30 OK 42 94 90 50 3.7-8.2 1298/8683=24...(4) Violated in 0 structures by 0.00 A. Peak 1314 from cnoeabs.peaks (1.37, 4.91, 53.42 ppm; 4.08 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.6-3.0 3.0=100 HG12 ILE 8 - HA ARG 30 far 0 99 0 - 8.0-9.4 QB ALA 89 - HA ARG 30 far 0 73 0 - 9.0-9.6 HB3 LEU 27 - HA ARG 30 far 0 82 0 - 9.2-10.1 QB ALA 67 - HA ARG 30 far 0 70 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1315 from cnoeabs.peaks (1.29, 4.91, 53.42 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + HA ARG 30 OK 100 100 100 100 3.5-3.8 3.9=100 Violated in 0 structures by 0.00 A. Peak 1316 from cnoeabs.peaks (1.53, 4.91, 53.42 ppm; 4.91 A): 3 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.3-2.8 3.9=100 HB ILE 7 + HA ARG 30 OK 94 99 100 95 5.3-6.1 8254/4.8=32, 2.1/8255=30...(17) HB3 GLU 28 + HA ARG 30 OK 25 71 100 35 5.9-6.3 1343/3.9=18...(4) HG LEU 6 - HA ARG 30 far 5 100 5 - 5.0-7.2 HG3 LYS 33 - HA ARG 30 far 0 84 0 - 8.4-10.0 HG12 ILE 56 - HA ARG 30 far 0 100 0 - 9.1-11.8 HG2 LYS 33 - HA ARG 30 far 0 94 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 1317 from cnoeabs.peaks (2.67, 4.91, 53.42 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.99: * HD2 ARG 30 + HA ARG 30 OK 99 100 100 99 2.9-4.2 1357=82, 1.8/1366=75...(9) HB3 TYR 41 - HA ARG 30 far 0 68 0 - 6.1-7.3 Violated in 15 structures by 0.10 A. Peak 1318 from cnoeabs.peaks (3.08, 4.91, 53.42 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HA ARG 30 OK 100 100 100 100 2.9-4.1 1366=100, 1.8/1317=78...(10) Violated in 1 structures by 0.00 A. Peak 1319 from cnoeabs.peaks (8.50, 4.91, 53.42 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.99: * H THR 31 + HA ARG 30 OK 99 100 100 99 2.5-2.6 3.6=70, 6493/3.0=42...(17) H ILE 7 - HA ARG 30 far 0 61 0 - 4.8-5.7 H VAL 32 - HA ARG 30 far 0 96 0 - 6.1-6.6 Violated in 0 structures by 0.00 A. Peak 1320 from cnoeabs.peaks (9.09, 1.60, 32.55 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.7-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 1321 from cnoeabs.peaks (4.91, 1.60, 32.55 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HA ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.4-3.0 3.0=100 HA THR 31 + HB2 ARG 30 OK 89 90 100 99 4.3-5.1 3.0/6493=68, ~6494=40...(23) HA ILE 56 - HB2 ARG 30 far 0 75 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 1322 from cnoeabs.peaks (1.60, 1.60, 32.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HB2 ARG 30 OK 100 100 - 100 Peak 1323 from cnoeabs.peaks (1.37, 1.60, 32.55 ppm; 3.35 A): 1 out of 6 assignments used, quality = 1.00: * HB3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 8 - HB2 ARG 30 far 0 99 0 - 7.3-8.9 QB ALA 67 - HB2 ARG 30 far 0 70 0 - 8.2-9.7 HG3 LYS 40 - HB2 ARG 30 far 0 98 0 - 8.6-11.0 HB3 LEU 27 - HB2 ARG 30 far 0 82 0 - 8.7-11.0 QB ALA 89 - HB2 ARG 30 far 0 73 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1324 from cnoeabs.peaks (1.29, 1.60, 32.55 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LEU 42 - HB2 ARG 30 far 0 99 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 1325 from cnoeabs.peaks (1.53, 1.60, 32.55 ppm; 3.84 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.7-3.0 2.9=100 HG LEU 6 - HB2 ARG 30 far 15 100 15 - 3.1-6.5 HB3 GLU 28 - HB2 ARG 30 far 0 71 0 - 5.4-6.8 HB ILE 7 - HB2 ARG 30 far 0 99 0 - 6.4-7.3 HG3 LYS 33 - HB2 ARG 30 far 0 84 0 - 7.3-10.0 HG12 ILE 56 - HB2 ARG 30 far 0 100 0 - 7.7-11.0 HG2 LYS 33 - HB2 ARG 30 far 0 94 0 - 8.3-11.4 Violated in 0 structures by 0.00 A. Peak 1326 from cnoeabs.peaks (2.67, 1.60, 32.55 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + HB2 ARG 30 OK 100 100 100 100 2.0-4.1 3.6=100 HB3 TYR 41 + HB2 ARG 30 OK 66 68 100 98 3.9-5.3 4.4/8906=39...(16) Violated in 0 structures by 0.00 A. Peak 1327 from cnoeabs.peaks (3.08, 1.60, 32.55 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HB2 ARG 30 OK 100 100 100 100 1.9-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1328 from cnoeabs.peaks (8.50, 1.60, 32.55 ppm; 4.27 A): 3 out of 3 assignments used, quality = 1.00: * H THR 31 + HB2 ARG 30 OK 100 100 100 100 2.1-3.7 6493=100, 6494/1.8=82...(18) H ILE 7 + HB2 ARG 30 OK 46 61 95 79 4.8-5.8 3.6/8696=36, 8238/4.0=25...(11) H VAL 32 + HB2 ARG 30 OK 31 96 40 82 5.2-6.6 4.6/6493=49, 3.6/1321=27...(8) Violated in 0 structures by 0.00 A. Peak 1329 from cnoeabs.peaks (9.09, 1.37, 32.55 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.7-3.8 4.0=100 H VAL 83 + HB2 LYS 82 OK 54 54 100 100 4.2-4.5 4.6=88, 7343/3.0=80...(19) Violated in 0 structures by 0.00 A. Peak 1330 from cnoeabs.peaks (4.91, 1.37, 32.55 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.6-3.0 3.0=100 HA THR 31 + HB3 ARG 30 OK 89 90 100 99 4.3-4.9 3.0/6494=65, ~6493=47...(22) HA ILE 56 - HB3 ARG 30 far 0 75 0 - 6.5-8.2 HA ILE 56 - HB2 LYS 82 far 0 40 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 1331 from cnoeabs.peaks (1.60, 1.37, 32.55 ppm; 3.30 A): 2 out of 7 assignments used, quality = 1.00: * HB2 ARG 30 + HB3 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 82 + HB2 LYS 82 OK 32 32 100 99 3.5-3.9 3.5=80, ~3668=24...(20) HB3 LEU 29 - HB3 ARG 30 far 0 100 0 - 6.1-7.5 HG2 ARG 19 - HB3 ARG 30 far 0 94 0 - 6.5-10.8 HG2 LYS 68 - HB2 LYS 82 far 0 30 0 - 7.3-10.5 HG LEU 103 - HB2 LYS 82 far 0 51 0 - 8.3-21.9 HB2 LEU 103 - HB2 LYS 82 far 0 54 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 1332 from cnoeabs.peaks (1.37, 1.37, 32.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + HB3 ARG 30 OK 100 100 - 100 HB2 LYS 82 + HB2 LYS 82 OK 43 43 - 100 Peak 1333 from cnoeabs.peaks (1.29, 1.37, 32.55 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HG2 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.2-2.7 2.9=100 HB3 LEU 42 - HB3 ARG 30 far 0 99 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 1334 from cnoeabs.peaks (1.53, 1.37, 32.55 ppm; 3.70 A): 3 out of 15 assignments used, quality = 1.00: * HG3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.7-2.9 2.9=100 HG LEU 6 + HB3 ARG 30 OK 83 100 95 87 3.4-5.9 2.1/8718=32, ~8717=27...(18) HD3 LYS 82 + HB2 LYS 82 OK 34 34 100 100 3.5-3.9 3.5=100 HB3 GLU 28 - HB3 ARG 30 far 0 71 0 - 5.4-6.7 HB ILE 7 - HB3 ARG 30 far 0 99 0 - 5.8-6.9 HG12 ILE 56 - HB3 ARG 30 far 0 100 0 - 6.7-10.2 HG3 LYS 33 - HB3 ARG 30 far 0 84 0 - 7.7-9.5 HG12 ILE 56 - HB2 LYS 82 far 0 62 0 - 8.8-11.3 HG2 ARG 79 - HB2 LYS 82 far 0 62 0 - 8.9-12.6 HG2 LYS 33 - HB3 ARG 30 far 0 94 0 - 9.0-11.1 HB3 LEU 103 - HB2 LYS 82 far 0 61 0 - 9.0-19.7 HG2 LYS 66 - HB2 LYS 82 far 0 30 0 - 9.3-12.9 HG LEU 57 - HB2 LYS 82 far 0 42 0 - 9.4-9.7 HG3 ARG 79 - HB2 LYS 82 far 0 61 0 - 9.5-12.5 HG3 LYS 66 - HB2 LYS 82 far 0 32 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1335 from cnoeabs.peaks (2.67, 1.37, 32.55 ppm; 4.76 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.9-4.2 3.6=100 HB3 TYR 41 + HB3 ARG 30 OK 65 68 100 97 3.5-4.6 2.5/8700=35, 1326/1.8=33...(15) HB3 ASP 65 - HB2 LYS 82 far 0 38 0 - 7.3-9.7 Violated in 0 structures by 0.00 A. Peak 1336 from cnoeabs.peaks (3.08, 1.37, 32.55 ppm; 5.00 A): 1 out of 5 assignments used, quality = 1.00: * HD3 ARG 30 + HB3 ARG 30 OK 100 100 100 100 2.0-4.2 3.6=100 HB3 ASN 60 - HB2 LYS 82 far 0 47 0 - 7.0-8.0 HB3 HIS 106 - HB2 LYS 82 far 0 41 0 - 7.2-22.2 HB3 HIS 105 - HB2 LYS 82 far 0 53 0 - 7.6-19.8 HD3 ARG 79 - HB2 LYS 82 far 0 59 0 - 8.8-12.9 Violated in 0 structures by 0.00 A. Peak 1337 from cnoeabs.peaks (8.50, 1.37, 32.55 ppm; 4.62 A): 3 out of 4 assignments used, quality = 1.00: * H THR 31 + HB3 ARG 30 OK 100 100 100 100 2.2-3.6 6494=100, 6493/1.8=96...(19) H VAL 32 + HB3 ARG 30 OK 62 96 75 86 5.1-6.6 4.6/6494=53, 3.6/1330=30...(9) H ILE 7 + HB3 ARG 30 OK 54 61 100 87 3.9-5.0 3.6/8699=44...(14) H ALA 67 - HB2 LYS 82 far 0 55 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 1338 from cnoeabs.peaks (9.09, 1.29, 26.44 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HG2 ARG 30 OK 100 100 100 100 3.4-4.4 4.9=100 Violated in 0 structures by 0.00 A. Peak 1339 from cnoeabs.peaks (4.91, 1.29, 26.44 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 30 + HG2 ARG 30 OK 100 100 100 100 3.5-3.8 3.9=100 HA THR 31 - HG2 ARG 30 far 0 90 0 - 6.5-6.8 HA ILE 56 - HG2 ARG 30 far 0 75 0 - 7.6-9.7 Violated in 0 structures by 0.00 A. Peak 1340 from cnoeabs.peaks (1.60, 1.29, 26.44 ppm; 3.80 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 LEU 29 - HG2 ARG 30 far 0 100 0 - 6.2-7.2 HG2 ARG 19 - HG2 ARG 30 far 0 94 0 - 6.5-11.6 Violated in 0 structures by 0.00 A. Peak 1341 from cnoeabs.peaks (1.37, 1.29, 26.44 ppm; 4.01 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.2-2.7 2.9=100 HB3 LEU 27 - HG2 ARG 30 far 0 82 0 - 8.0-9.4 QB ALA 67 - HG2 ARG 30 far 0 70 0 - 8.5-10.6 HG3 LYS 40 - HG2 ARG 30 far 0 98 0 - 8.8-10.3 HG12 ILE 8 - HG2 ARG 30 far 0 99 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 1342 from cnoeabs.peaks (1.29, 1.29, 26.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + HG2 ARG 30 OK 100 100 - 100 Peak 1343 from cnoeabs.peaks (1.53, 1.29, 26.44 ppm; 3.22 A): 2 out of 6 assignments used, quality = 1.00: * HG3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 28 + HG2 ARG 30 OK 29 71 85 47 3.8-4.9 4.6/8665=14...(11) HG LEU 6 - HG2 ARG 30 far 5 100 5 - 4.7-6.2 HG12 ILE 56 - HG2 ARG 30 far 0 100 0 - 7.2-11.3 HB ILE 7 - HG2 ARG 30 far 0 99 0 - 7.5-8.6 HG3 LYS 33 - HG2 ARG 30 far 0 84 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 1344 from cnoeabs.peaks (2.67, 1.29, 26.44 ppm; 4.29 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.2-2.9 3.0=100 HB3 TYR 41 + HG2 ARG 30 OK 65 68 100 97 3.3-5.1 2.5/8703=26, 1353/1.8=24...(21) Violated in 0 structures by 0.00 A. Peak 1345 from cnoeabs.peaks (3.08, 1.29, 26.44 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HG2 ARG 30 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1346 from cnoeabs.peaks (8.50, 1.29, 26.44 ppm; 5.77 A): 2 out of 4 assignments used, quality = 1.00: * H THR 31 + HG2 ARG 30 OK 100 100 100 100 4.6-4.9 6495=100, 6493/2.9=98...(16) H ILE 7 + HG2 ARG 30 OK 45 61 100 74 5.9-7.0 8238/6485=39...(8) H VAL 32 - HG2 ARG 30 far 0 96 0 - 7.3-8.6 H VAL 54 - HG2 ARG 30 far 0 100 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 1347 from cnoeabs.peaks (9.09, 1.53, 26.44 ppm; 4.94 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 30 + HG3 ARG 30 OK 100 100 100 100 3.0-3.9 4.9=100 H VAL 83 - HG LEU 57 far 5 46 10 - 6.3-7.2 H ARG 30 - HG LEU 57 far 0 53 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 1348 from cnoeabs.peaks (4.91, 1.53, 26.44 ppm; 4.38 A): 2 out of 7 assignments used, quality = 1.00: * HA ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.3-2.8 3.9=100 HA ILE 56 + HG LEU 57 OK 27 34 100 80 5.5-5.8 6930/4.9=41, ~10667=21...(10) HA ILE 56 - HG2 ARG 79 far 0 47 0 - 6.1-9.5 HA THR 31 - HG3 ARG 30 far 0 90 0 - 6.3-6.5 HA ILE 56 - HG3 ARG 79 far 0 47 0 - 6.5-9.2 HA ILE 56 - HG3 ARG 30 far 0 75 0 - 8.4-10.2 HA THR 31 - HG LEU 57 far 0 43 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1349 from cnoeabs.peaks (1.60, 1.53, 26.44 ppm; 2.65 A): 3 out of 20 assignments used, quality = 0.98: * HB2 ARG 30 + HG3 ARG 30 OK 87 100 100 87 2.7-3.0 2.9=73, 6493/6496=15...(11) HB2 ARG 79 + HG2 ARG 79 OK 66 72 100 91 2.2-3.0 3.0=70, 7289/4.7=15...(16) HB2 ARG 79 + HG3 ARG 79 OK 65 72 100 91 2.2-2.8 3.0=70, 7289/4.7=15...(16) HB2 LEU 103 - HG2 ARG 79 poor 19 63 30 - 2.0-10.2 HG LEU 103 - HG2 ARG 79 poor 13 60 40 53 2.2-12.3 4493=12, 2.1/4501=10...(19) HG LEU 103 - HG3 ARG 79 poor 13 60 40 53 2.4-13.7 4493=11, 4493/1.8=9...(19) HB2 LEU 103 - HG3 ARG 79 poor 10 63 35 43 2.5-11.6 4477=8, 3.0/4493=7...(16) HG2 ARG 19 - HG3 ARG 30 far 0 94 0 - 4.8-10.0 HB3 LEU 29 - HG3 ARG 30 far 0 100 0 - 5.1-6.2 HG2 LYS 68 - HG2 ARG 79 far 0 36 0 - 6.2-11.6 HB3 LEU 29 - HG LEU 57 far 0 52 0 - 6.4-9.5 HG2 LYS 68 - HG3 ARG 79 far 0 36 0 - 6.6-12.4 HG3 LYS 90 - HG LEU 57 far 0 45 0 - 6.7-9.3 HG LEU 103 - HG LEU 57 far 0 43 0 - 6.9-17.6 HB2 ARG 79 - HG LEU 57 far 0 53 0 - 7.5-11.7 HB2 LEU 103 - HG LEU 57 far 0 46 0 - 7.8-16.4 HD3 LYS 94 - HG LEU 57 far 0 53 0 - 8.4-11.5 HD2 LYS 94 - HG LEU 57 far 0 43 0 - 8.7-11.9 HG2 ARG 19 - HG LEU 57 far 0 46 0 - 8.7-11.4 HG LEU 27 - HG LEU 2 far 0 54 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 1350 from cnoeabs.peaks (1.37, 1.53, 26.44 ppm; 3.32 A): 3 out of 25 assignments used, quality = 1.00: * HB3 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.7-2.9 2.9=100 HB3 LEU 2 + HG LEU 2 OK 27 27 100 100 2.4-3.0 3.0=100 QB ALA 89 + HG LEU 57 OK 25 33 100 77 2.0-3.6 ~10698=17, ~9926=14...(20) HG LEU 14 - HG LEU 57 far 0 43 0 - 5.1-6.7 QB ALA 71 - HG3 ARG 79 far 0 34 0 - 6.4-8.4 QB ALA 71 - HG2 ARG 79 far 0 35 0 - 6.5-8.4 HG3 LYS 68 - HG3 ARG 79 far 0 59 0 - 7.3-11.0 HB3 LEU 27 - HG LEU 2 far 0 39 0 - 7.3-9.6 QB ALA 67 - HG2 ARG 79 far 0 43 0 - 7.5-10.4 HG12 ILE 8 - HG LEU 57 far 0 52 0 - 7.6-8.9 HB3 LEU 27 - HG3 ARG 30 far 0 82 0 - 7.6-9.4 HG3 LYS 68 - HG2 ARG 79 far 0 59 0 - 7.6-10.7 QB ALA 67 - HG3 ARG 79 far 0 43 0 - 7.7-9.6 HG3 LYS 94 - HG LEU 57 far 0 51 0 - 8.3-12.0 QB ALA 67 - HG LEU 57 far 0 30 0 - 8.7-9.6 HB2 LYS 82 - HG2 ARG 79 far 0 51 0 - 8.9-12.6 QB ALA 25 - HG LEU 57 far 0 33 0 - 9.0-10.0 HG12 ILE 8 - HG3 ARG 30 far 0 99 0 - 9.3-10.8 HB2 LYS 82 - HG LEU 57 far 0 37 0 - 9.4-9.7 HB2 LYS 82 - HG3 ARG 79 far 0 51 0 - 9.5-12.5 QB ALA 89 - HG2 ARG 79 far 0 46 0 - 9.7-11.7 QB ALA 67 - HG3 ARG 30 far 0 70 0 - 9.7-11.4 QB ALA 25 - HG LEU 2 far 0 34 0 - 9.8-11.0 HB3 LEU 27 - HG LEU 57 far 0 38 0 - 9.9-11.2 HG3 LYS 40 - HG3 ARG 30 far 0 98 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 1351 from cnoeabs.peaks (1.29, 1.53, 26.44 ppm; 3.03 A): 2 out of 7 assignments used, quality = 1.00: * HG2 ARG 30 + HG3 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 2 + HG LEU 2 OK 26 26 100 100 2.4-3.0 3.0=100 HG LEU 3 - HG LEU 2 far 0 54 0 - 4.7-7.1 HG2 LYS 90 - HG LEU 57 far 0 52 0 - 6.0-8.2 HG LEU 3 - HG2 ARG 79 far 0 72 0 - 9.1-12.8 HG LEU 3 - HG3 ARG 79 far 0 72 0 - 9.2-12.9 HB3 LEU 42 - HG3 ARG 79 far 0 70 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1352 from cnoeabs.peaks (1.53, 1.53, 26.44 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 ARG 30 + HG3 ARG 30 OK 100 100 - 100 HG2 ARG 79 + HG2 ARG 79 OK 72 72 - 100 HG3 ARG 79 + HG3 ARG 79 OK 72 72 - 100 HG LEU 2 + HG LEU 2 OK 50 50 - 100 HG LEU 57 + HG LEU 57 OK 36 36 - 100 Peak 1353 from cnoeabs.peaks (2.67, 1.53, 26.44 ppm; 4.39 A): 2 out of 7 assignments used, quality = 1.00: * HD2 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 TYR 41 + HG3 ARG 30 OK 49 68 75 97 5.0-6.6 1344/1.8=32, 2.5/8704=27...(20) HB3 ASN 51 - HG LEU 2 poor 19 55 35 - 5.2-9.7 HB3 ASP 77 - HG2 ARG 79 far 0 37 0 - 6.6-11.0 HB3 ASP 77 - HG3 ARG 79 far 0 37 0 - 7.1-10.8 HB3 ASP 77 - HG LEU 2 far 0 27 0 - 7.7-10.0 HD3 ARG 91 - HG LEU 57 far 0 51 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 1354 from cnoeabs.peaks (3.08, 1.53, 26.44 ppm; 3.23 A): 6 out of 21 assignments used, quality = 1.00: * HD3 ARG 30 + HG3 ARG 30 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 70 70 100 100 2.2-3.0 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 69 69 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 69 69 100 100 2.3-2.9 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 68 68 100 100 2.2-3.0 3.0=100 HB2 TRP 92 + HG LEU 57 OK 28 47 80 74 3.4-5.2 9357/2.1=39, ~9358=28...(7) HB3 HIS 105 - HG3 ARG 79 far 3 62 5 - 3.9-13.8 HB3 HIS 105 - HG2 ARG 79 far 0 62 0 - 5.1-14.7 HB2 PHE 96 - HG3 ARG 79 far 0 66 0 - 6.8-9.3 HB2 TRP 92 - HG3 ARG 79 far 0 64 0 - 7.0-9.8 HB2 PHE 96 - HG2 ARG 79 far 0 66 0 - 7.1-8.9 HD3 ARG 79 - HG LEU 57 far 0 51 0 - 7.1-12.5 HB2 PHE 96 - HG LEU 57 far 0 48 0 - 7.2-8.0 HB2 TRP 92 - HG2 ARG 79 far 0 64 0 - 7.2-10.0 HB3 HIS 106 - HG3 ARG 79 far 0 48 0 - 7.4-14.9 HB3 HIS 106 - HG2 ARG 79 far 0 49 0 - 7.5-14.9 HD2 ARG 79 - HG LEU 57 far 0 50 0 - 7.8-12.4 HB3 ASN 26 - HG LEU 2 far 0 48 0 - 8.4-10.1 HB3 HIS 106 - HG LEU 57 far 0 35 0 - 8.7-21.2 HB3 HIS 105 - HG LEU 57 far 0 45 0 - 9.3-21.5 HD3 ARG 79 - HG LEU 2 far 0 52 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 1355 from cnoeabs.peaks (8.50, 1.53, 26.44 ppm; 3.98 A): 4 out of 16 assignments used, quality = 1.00: * H THR 31 + HG3 ARG 30 OK 100 100 100 100 4.0-4.6 6493/2.9=66, 6496=65...(14) H ARG 79 + HG2 ARG 79 OK 72 72 100 100 2.7-5.1 4.7=63, 7289/3.0=61...(21) H ARG 79 + HG3 ARG 79 OK 72 72 100 100 2.0-5.1 4.7=63, 7289/3.0=61...(20) H LEU 2 + HG LEU 2 OK 49 51 100 97 3.0-4.0 6012=73, ~77=40, ~49=39...(10) H LYS 53 - HG LEU 2 poor 16 37 75 58 2.6-5.9 6870/2.1=21, 9184/3.0=15...(14) H VAL 54 - HG2 ARG 79 poor 14 72 20 - 3.5-7.7 H VAL 54 - HG3 ARG 79 far 11 71 15 - 3.9-8.1 H ASN 51 - HG LEU 2 far 1 27 5 - 5.2-8.9 H ILE 7 - HG3 ARG 30 far 0 61 0 - 6.0-6.9 H ILE 7 - HG LEU 57 far 0 26 0 - 6.9-7.6 H VAL 54 - HG LEU 2 far 0 54 0 - 7.0-10.3 H LYS 53 - HG2 ARG 79 far 0 50 0 - 7.5-11.8 H VAL 32 - HG3 ARG 30 far 0 96 0 - 7.6-8.4 H LYS 53 - HG3 ARG 79 far 0 50 0 - 8.2-12.4 H ARG 79 - HG LEU 57 far 0 53 0 - 8.6-10.5 H VAL 32 - HG LEU 57 far 0 47 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 1356 from cnoeabs.peaks (9.09, 2.67, 42.61 ppm; 6.19 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HD2 ARG 30 OK 100 100 100 100 5.2-6.1 6.2=100 Violated in 0 structures by 0.00 A. Peak 1357 from cnoeabs.peaks (4.91, 2.67, 42.61 ppm; 4.16 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.9-4.2 1317=100, 1366/1.8=83...(9) HA THR 31 - HD2 ARG 30 far 0 90 0 - 5.8-7.8 HA ILE 56 - HD2 ARG 30 far 0 75 0 - 9.6-11.3 Violated in 3 structures by 0.01 A. Peak 1358 from cnoeabs.peaks (1.60, 2.67, 42.61 ppm; 4.11 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.0-4.1 3.6=100 HG2 ARG 19 - HD2 ARG 30 far 0 94 0 - 6.4-11.7 HB3 LEU 29 - HD2 ARG 30 far 0 100 0 - 7.2-8.9 Violated in 0 structures by 0.00 A. Peak 1359 from cnoeabs.peaks (1.37, 2.67, 42.61 ppm; 4.29 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.9-4.2 3.6=100 HG3 LYS 40 - HD2 ARG 30 far 0 98 0 - 8.0-10.3 HG12 ILE 8 - HD2 ARG 30 far 0 99 0 - 9.1-12.1 HB3 LEU 27 - HD2 ARG 30 far 0 82 0 - 9.2-11.6 QB ALA 67 - HD2 ARG 30 far 0 70 0 - 9.5-11.6 Violated in 0 structures by 0.00 A. Peak 1360 from cnoeabs.peaks (1.29, 2.67, 42.61 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1361 from cnoeabs.peaks (1.53, 2.67, 42.61 ppm; 4.10 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 28 - HD2 ARG 30 poor 18 71 55 46 4.0-6.5 1343/3.0=17, ~10511=13...(8) HG LEU 6 - HD2 ARG 30 far 0 100 0 - 6.4-8.3 HB ILE 7 - HD2 ARG 30 far 0 99 0 - 8.1-9.9 HG3 LYS 33 - HD2 ARG 30 far 0 84 0 - 8.2-11.8 HG2 LYS 33 - HD2 ARG 30 far 0 94 0 - 9.0-13.1 HG12 ILE 56 - HD2 ARG 30 far 0 100 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 1362 from cnoeabs.peaks (2.67, 2.67, 42.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HD2 ARG 30 OK 100 100 - 100 Peak 1363 from cnoeabs.peaks (3.08, 2.67, 42.61 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HD2 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1364 from cnoeabs.peaks (8.50, 2.67, 42.61 ppm; 5.13 A): 1 out of 3 assignments used, quality = 1.00: * H THR 31 + HD2 ARG 30 OK 100 100 100 100 2.9-5.3 6498/1.8=92...(10) H ILE 7 - HD2 ARG 30 far 0 61 0 - 6.7-8.7 H VAL 32 - HD2 ARG 30 far 0 96 0 - 7.2-9.4 Violated in 6 structures by 0.03 A. Peak 1365 from cnoeabs.peaks (9.09, 3.08, 42.61 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HD3 ARG 30 OK 100 100 100 100 5.0-5.8 3.0/1366=95, 6485/3.0=90...(13) Violated in 2 structures by 0.01 A. Peak 1366 from cnoeabs.peaks (4.91, 3.08, 42.61 ppm; 3.91 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.9-4.1 1318=93, 1317/1.8=75...(10) HA THR 31 - HD3 ARG 30 far 0 90 0 - 5.6-7.5 HA ILE 56 - HD3 ARG 30 far 0 75 0 - 9.7-11.7 Violated in 2 structures by 0.01 A. Peak 1367 from cnoeabs.peaks (1.60, 3.08, 42.61 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 30 + HD3 ARG 30 OK 100 100 100 100 1.9-3.6 3.6=100 HG2 ARG 19 - HD3 ARG 30 far 0 94 0 - 6.0-11.1 HB3 LEU 29 - HD3 ARG 30 far 0 100 0 - 6.7-8.8 Violated in 0 structures by 0.00 A. Peak 1368 from cnoeabs.peaks (1.37, 3.08, 42.61 ppm; 4.35 A): 1 out of 5 assignments used, quality = 1.00: * HB3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.0-4.2 3.6=100 HG3 LYS 40 - HD3 ARG 30 far 0 98 0 - 7.1-10.8 QB ALA 67 - HD3 ARG 30 far 0 70 0 - 9.3-12.0 HG12 ILE 8 - HD3 ARG 30 far 0 99 0 - 9.3-11.9 HB3 LEU 27 - HD3 ARG 30 far 0 82 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 1369 from cnoeabs.peaks (1.29, 3.08, 42.61 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1370 from cnoeabs.peaks (1.53, 3.08, 42.61 ppm; 3.81 A): 1 out of 7 assignments used, quality = 1.00: * HG3 ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 28 - HD3 ARG 30 poor 10 71 35 39 4.6-7.1 1343/3.0=15, ~10511=11...(5) HG LEU 6 - HD3 ARG 30 far 5 100 5 - 5.3-8.6 HG3 LYS 33 - HD3 ARG 30 far 0 84 0 - 7.7-11.1 HB ILE 7 - HD3 ARG 30 far 0 99 0 - 8.1-9.6 HG2 LYS 33 - HD3 ARG 30 far 0 94 0 - 8.7-12.3 HG12 ILE 56 - HD3 ARG 30 far 0 100 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 1371 from cnoeabs.peaks (2.67, 3.08, 42.61 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HD2 ARG 30 + HD3 ARG 30 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 TYR 41 - HD3 ARG 30 far 10 68 15 - 3.4-6.7 Violated in 0 structures by 0.00 A. Peak 1372 from cnoeabs.peaks (3.08, 3.08, 42.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HD3 ARG 30 OK 100 100 - 100 Peak 1373 from cnoeabs.peaks (8.50, 3.08, 42.61 ppm; 4.97 A): 1 out of 3 assignments used, quality = 1.00: * H THR 31 + HD3 ARG 30 OK 100 100 100 100 2.9-4.7 6498=100, 1319/1366=82...(12) H ILE 7 - HD3 ARG 30 far 0 61 0 - 6.7-8.4 H VAL 32 - HD3 ARG 30 far 0 96 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 1375 from cnoeabs.peaks (4.89, 4.89, 60.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 31 + HA THR 31 OK 100 100 - 100 Peak 1376 from cnoeabs.peaks (4.24, 4.89, 60.45 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 31 + HA THR 31 OK 100 100 100 100 2.5-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 1377 from cnoeabs.peaks (1.14, 4.89, 60.45 ppm; 3.83 A): 2 out of 4 assignments used, quality = 1.00: * QG2 THR 31 + HA THR 31 OK 100 100 100 100 2.1-2.4 3.2=100 HB2 LEU 6 + HA THR 31 OK 46 59 100 78 3.9-5.1 4.3/8251=22, 1.8/8223=18...(16) HB2 LEU 29 - HA THR 31 far 0 93 0 - 7.4-8.1 QG2 THR 34 - HA THR 31 far 0 70 0 - 8.6-9.2 Violated in 0 structures by 0.00 A. Peak 1378 from cnoeabs.peaks (8.48, 4.89, 60.45 ppm; 2.97 A): 3 out of 4 assignments used, quality = 1.00: * H VAL 32 + HA THR 31 OK 100 100 100 100 2.1-2.4 6505=100, 6506/3.0=36...(13) H THR 31 + HA THR 31 OK 96 96 100 100 2.9-2.9 3.0=100 H ILE 7 + HA THR 31 OK 66 90 100 74 2.4-3.1 8251=26, 8252/3.0=18...(13) H LEU 29 - HA THR 31 far 0 79 0 - 8.8-9.0 Violated in 0 structures by 0.00 A. Peak 1380 from cnoeabs.peaks (4.89, 4.24, 69.49 ppm; 3.24 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 31 + HB THR 31 OK 100 100 100 100 2.5-2.7 3.0=100 HA ARG 30 - HB THR 31 far 0 90 0 - 5.6-5.7 HA ILE 56 - HB THR 31 far 0 99 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 1381 from cnoeabs.peaks (4.24, 4.24, 69.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 31 + HB THR 31 OK 100 100 - 100 Peak 1382 from cnoeabs.peaks (1.14, 4.24, 69.49 ppm; 2.94 A): 1 out of 4 assignments used, quality = 1.00: * QG2 THR 31 + HB THR 31 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 6 - HB THR 31 far 0 59 0 - 6.3-7.5 QG2 THR 34 - HB THR 31 far 0 70 0 - 7.8-8.5 HB2 LEU 29 - HB THR 31 far 0 93 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 1383 from cnoeabs.peaks (8.48, 4.24, 69.49 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 32 + HB THR 31 OK 97 100 100 97 2.5-3.5 6506=71, 6505/3.0=55...(12) H THR 31 + HB THR 31 OK 88 96 100 93 3.5-3.8 3.9=58, 6501/2.1=58...(9) H ILE 7 - HB THR 31 far 0 90 0 - 4.8-5.8 Violated in 0 structures by 0.00 A. Peak 1384 from cnoeabs.peaks (8.50, 1.14, 22.10 ppm; 3.29 A): 3 out of 3 assignments used, quality = 1.00: * H THR 31 + QG2 THR 31 OK 99 100 100 99 2.9-3.5 6501=93, 6500/2.1=52...(13) H VAL 32 + QG2 THR 31 OK 92 96 100 96 2.8-3.9 4.0=54, 6506/2.1=52...(10) H ILE 7 + QG2 THR 31 OK 51 61 100 84 3.6-4.2 4.0/8282=38, 4.0/8732=35...(13) Violated in 0 structures by 0.00 A. Peak 1385 from cnoeabs.peaks (4.89, 1.14, 22.10 ppm; 3.32 A): 2 out of 3 assignments used, quality = 1.00: * HA THR 31 + QG2 THR 31 OK 100 100 100 100 2.1-2.4 3.2=100 HA ARG 30 + QG2 THR 31 OK 68 90 100 75 3.4-4.3 3.6/6501=43...(12) HA ILE 56 - QG2 THR 31 far 0 99 0 - 7.3-7.9 Violated in 0 structures by 0.00 A. Peak 1386 from cnoeabs.peaks (4.24, 1.14, 22.10 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 31 + QG2 THR 31 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1387 from cnoeabs.peaks (1.14, 1.14, 22.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 31 + QG2 THR 31 OK 100 100 - 100 Peak 1388 from cnoeabs.peaks (8.48, 1.14, 22.10 ppm; 3.29 A): 3 out of 4 assignments used, quality = 1.00: * H VAL 32 + QG2 THR 31 OK 97 100 100 97 2.8-3.9 6506/2.1=56, 4.0=54...(11) H THR 31 + QG2 THR 31 OK 94 96 100 98 2.9-3.5 6501=87, 6500/2.1=49...(13) H ILE 7 + QG2 THR 31 OK 80 90 100 89 3.6-4.2 4.0/8282=38, 4.0/8732=35...(14) H LEU 29 - QG2 THR 31 far 0 79 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 1389 from cnoeabs.peaks (8.48, 4.41, 60.95 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 32 + HA VAL 32 OK 100 100 100 100 2.9-2.9 3.0=100 H THR 31 + HA VAL 32 OK 61 96 100 64 4.7-5.0 ~6505=27, 8740/8896=19...(6) H ILE 7 - HA VAL 32 far 0 90 0 - 5.3-7.0 H ALA 67 - HA VAL 32 far 0 100 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 1390 from cnoeabs.peaks (4.41, 4.41, 60.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + HA VAL 32 OK 100 100 - 100 Peak 1391 from cnoeabs.peaks (1.94, 4.41, 60.95 ppm; 3.68 A): 3 out of 4 assignments used, quality = 1.00: * HB VAL 32 + HA VAL 32 OK 100 100 100 100 2.9-3.0 3.0=100 HB3 LYS 33 + HA VAL 32 OK 71 85 85 97 4.9-5.3 4.1/6515=51...(21) HB2 GLU 37 + HA VAL 32 OK 63 63 100 99 2.6-4.9 1.8/8824=37, 3.0/8827=35...(25) HB2 LYS 33 - HA VAL 32 far 0 88 0 - 5.2-5.5 Violated in 0 structures by 0.00 A. Peak 1392 from cnoeabs.peaks (0.91, 4.41, 60.95 ppm; 3.36 A): 2 out of 3 assignments used, quality = 1.00: * QG1 VAL 32 + HA VAL 32 OK 100 100 100 100 2.0-2.3 3.2=100 HG13 ILE 8 + HA VAL 32 OK 75 92 85 96 4.3-6.3 12203/3.0=39...(25) HG13 ILE 7 - HA VAL 32 far 0 97 0 - 8.9-9.6 Violated in 0 structures by 0.00 A. Peak 1393 from cnoeabs.peaks (0.83, 4.41, 60.95 ppm; 3.33 A): 3 out of 8 assignments used, quality = 1.00: * QG2 VAL 32 + HA VAL 32 OK 100 100 100 100 2.5-2.8 3.2=100 QD2 LEU 38 + HA VAL 32 OK 42 99 50 85 4.2-6.3 1405/3.2=21, 1399/3.0=19...(27) QD1 LEU 38 + HA VAL 32 OK 27 79 45 76 4.1-6.9 1405/3.2=15, ~8944=11...(25) QG2 ILE 7 - HA VAL 32 far 0 71 0 - 5.2-6.0 QG2 ILE 15 - HA VAL 32 far 0 90 0 - 7.0-7.5 QD1 LEU 70 - HA VAL 32 far 0 96 0 - 7.1-10.1 QD2 LEU 70 - HA VAL 32 far 0 87 0 - 7.8-10.6 QD2 LEU 57 - HA VAL 32 far 0 65 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1394 from cnoeabs.peaks (9.30, 4.41, 60.95 ppm; 2.93 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 33 + HA VAL 32 OK 100 100 100 100 2.3-2.4 6515=100, 1406/3.2=33...(25) H LEU 6 - HA VAL 32 far 0 99 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 1395 from cnoeabs.peaks (8.48, 1.94, 34.49 ppm; 3.87 A): 2 out of 10 assignments used, quality = 1.00: * H VAL 32 + HB VAL 32 OK 100 100 100 100 2.8-3.3 6509=100, 6511/2.1=50...(15) H ILE 7 + HB VAL 32 OK 52 90 70 84 4.7-6.6 8270=39, 1407/2.1=26...(11) H VAL 32 - HB2 LYS 33 far 0 71 0 - 6.2-6.7 H THR 31 - HB VAL 32 far 0 96 0 - 6.4-6.8 H ALA 67 - HB VAL 32 far 0 100 0 - 6.5-7.7 H VAL 32 - HB3 LYS 33 far 0 66 0 - 6.5-7.1 H THR 31 - HB2 LYS 33 far 0 63 0 - 8.3-9.6 H THR 31 - HB3 LYS 33 far 0 59 0 - 8.5-9.8 H ILE 7 - HB2 LYS 33 far 0 57 0 - 9.6-11.3 H ILE 7 - HB3 LYS 33 far 0 53 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1396 from cnoeabs.peaks (4.41, 1.94, 34.49 ppm; 4.00 A): 3 out of 6 assignments used, quality = 1.00: * HA VAL 32 + HB VAL 32 OK 100 100 100 100 2.9-3.0 3.0=100 HA VAL 32 + HB2 LYS 33 OK 66 71 95 98 5.2-5.5 6515/4.1=59...(20) HA VAL 32 + HB3 LYS 33 OK 65 66 100 99 4.9-5.3 6515/4.1=59...(20) HA SER 9 - HB VAL 32 far 0 94 0 - 6.9-8.3 HA SER 9 - HB2 LYS 33 far 0 62 0 - 7.0-9.2 HA SER 9 - HB3 LYS 33 far 0 57 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 1397 from cnoeabs.peaks (1.94, 1.94, 34.49 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 32 + HB VAL 32 OK 100 100 - 100 HB2 LYS 33 + HB2 LYS 33 OK 56 56 - 100 HB3 LYS 33 + HB3 LYS 33 OK 50 50 - 100 Peak 1398 from cnoeabs.peaks (0.91, 1.94, 34.49 ppm; 3.33 A): 3 out of 7 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 8 + HB VAL 32 OK 91 92 100 100 1.8-3.6 2.1/12200=58...(24) QG1 VAL 32 + HB3 LYS 33 OK 55 66 90 92 4.4-5.0 1406/4.1=34, 8749/4.4=33...(17) QG1 VAL 32 - HB2 LYS 33 far 0 71 0 - 5.1-5.5 HG13 ILE 8 - HB2 LYS 33 far 0 59 0 - 6.7-9.4 HG13 ILE 8 - HB3 LYS 33 far 0 55 0 - 6.8-9.6 HG13 ILE 7 - HB VAL 32 far 0 97 0 - 7.7-8.9 Violated in 0 structures by 0.00 A. Peak 1399 from cnoeabs.peaks (0.83, 1.94, 34.49 ppm; 3.46 A): 3 out of 22 assignments used, quality = 1.00: * QG2 VAL 32 + HB VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 38 + HB VAL 32 OK 89 99 100 90 1.9-4.4 1405/2.1=30, ~8944=19...(27) QD1 LEU 38 + HB VAL 32 OK 37 79 55 86 2.0-6.1 1405/2.1=21, ~8944=19...(23) QG2 ILE 7 - HB VAL 32 far 7 71 10 - 4.8-5.9 QD2 LEU 38 - HB3 LYS 33 far 0 64 0 - 5.4-8.8 QD1 LEU 70 - HB VAL 32 far 0 96 0 - 5.8-8.7 QD2 LEU 38 - HB2 LYS 33 far 0 68 0 - 5.9-9.2 QD1 LEU 38 - HB3 LYS 33 far 0 45 0 - 6.2-9.3 QG2 VAL 32 - HB3 LYS 33 far 0 66 0 - 6.5-6.8 QD2 LEU 70 - HB VAL 32 far 0 87 0 - 6.6-9.7 QG2 VAL 32 - HB2 LYS 33 far 0 71 0 - 6.6-6.8 QD1 LEU 38 - HB2 LYS 33 far 0 49 0 - 6.6-10.0 QG2 ILE 7 - HB2 LYS 33 far 0 43 0 - 7.3-8.4 QG2 ILE 15 - HB VAL 32 far 0 90 0 - 7.5-8.2 QG2 ILE 15 - HB2 LYS 33 far 0 57 0 - 8.0-9.2 QG2 ILE 7 - HB3 LYS 33 far 0 40 0 - 8.1-9.1 QD2 LEU 57 - HB VAL 32 far 0 65 0 - 8.3-8.9 QD1 LEU 70 - HB3 LYS 33 far 0 59 0 - 8.3-10.9 QG2 ILE 15 - HB3 LYS 33 far 0 53 0 - 9.1-10.0 QD2 LEU 70 - HB3 LYS 33 far 0 51 0 - 9.2-11.7 QD1 LEU 70 - HB2 LYS 33 far 0 63 0 - 9.2-11.8 QD1 LEU 57 - HB VAL 32 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1400 from cnoeabs.peaks (9.30, 1.94, 34.49 ppm; 3.54 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 33 + HB VAL 32 OK 99 100 100 99 3.0-3.6 6515/3.0=66, 1406/2.1=63...(14) H LYS 33 + HB2 LYS 33 OK 71 71 100 100 3.8-3.9 4.1=66, 6523/2.8=54...(18) H LYS 33 + HB3 LYS 33 OK 66 66 100 100 3.0-3.4 4.1=66, 6523/2.8=54...(20) H LEU 6 - HB VAL 32 far 0 99 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 1401 from cnoeabs.peaks (8.48, 0.91, 23.40 ppm; 4.18 A): 4 out of 5 assignments used, quality = 1.00: * H VAL 32 + QG1 VAL 32 OK 100 100 100 100 3.8-4.0 4.0=100 H ILE 7 + QG1 VAL 32 OK 57 90 75 84 5.2-6.7 8270/2.1=45, 1407/2.1=29...(12) H THR 31 + QG1 VAL 32 OK 30 96 40 78 5.3-6.1 1407/2.1=26, 1389/3.2=24...(9) H ALA 67 + QG1 VAL 32 OK 28 100 40 70 5.0-7.0 2.9/10336=28, ~10338=15...(14) H ARG 79 - QG1 VAL 32 far 0 93 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1402 from cnoeabs.peaks (4.41, 0.91, 23.40 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 32 + QG1 VAL 32 OK 100 100 100 100 2.0-2.3 3.2=100 HA SER 9 - QG1 VAL 32 far 0 94 0 - 7.5-8.9 Violated in 0 structures by 0.00 A. Peak 1403 from cnoeabs.peaks (1.94, 0.91, 23.40 ppm; 3.09 A): 3 out of 6 assignments used, quality = 1.00: * HB VAL 32 + QG1 VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 37 + QG1 VAL 32 OK 63 63 100 99 1.7-4.1 1.8/8839=44, 3.0/8849=32...(24) HB3 LYS 33 + QG1 VAL 32 OK 26 85 35 89 4.4-5.0 4.1/1406=28, 4.4/8749=28...(17) HB2 LYS 33 - QG1 VAL 32 far 0 88 0 - 5.1-5.5 HB2 GLU 43 - QG1 VAL 32 far 0 70 0 - 9.2-10.8 HB3 MET 74 - QG1 VAL 32 far 0 90 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 1404 from cnoeabs.peaks (0.91, 0.91, 23.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 32 + QG1 VAL 32 OK 100 100 - 100 Peak 1405 from cnoeabs.peaks (0.83, 0.91, 23.40 ppm; 2.48 A): 3 out of 11 assignments used, quality = 1.00: * QG2 VAL 32 + QG1 VAL 32 OK 100 100 100 100 1.9-2.1 2.1=100 QD2 LEU 38 + QG1 VAL 32 OK 79 99 100 80 1.7-3.5 2.1/8944=18, 4.5/8932=15...(27) QD1 LEU 38 + QG1 VAL 32 OK 55 79 95 74 1.7-4.0 2.1/8944=18, 4.5/8932=15...(25) QD1 LEU 70 - QG1 VAL 32 far 5 96 5 - 3.9-6.5 QD2 LEU 70 - QG1 VAL 32 far 0 87 0 - 4.6-6.9 QG2 ILE 7 - QG1 VAL 32 far 0 71 0 - 5.5-6.2 QG2 ILE 15 - QG1 VAL 32 far 0 90 0 - 7.4-7.8 QD1 ILE 76 - QG1 VAL 32 far 0 75 0 - 7.7-8.6 QD2 LEU 57 - QG1 VAL 32 far 0 65 0 - 7.8-8.6 QD2 LEU 64 - QG1 VAL 32 far 0 75 0 - 8.9-10.7 QD1 LEU 57 - QG1 VAL 32 far 0 100 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 1406 from cnoeabs.peaks (9.30, 0.91, 23.40 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 33 + QG1 VAL 32 OK 100 100 100 100 1.7-2.3 6517=78, 6515/3.2=67...(26) H LEU 6 - QG1 VAL 32 far 0 99 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 1407 from cnoeabs.peaks (8.48, 0.83, 22.02 ppm; 3.41 A): 3 out of 7 assignments used, quality = 1.00: * H VAL 32 + QG2 VAL 32 OK 97 100 100 97 1.9-2.6 6509/2.1=65, 4.0=61...(19) H ILE 7 + QG2 VAL 32 OK 82 90 100 92 2.5-4.0 3.6/10154=33...(22) H THR 31 + QG2 VAL 32 OK 73 96 100 77 3.7-4.5 4.6/6511=20...(14) H ALA 67 - QG2 VAL 32 far 0 100 0 - 5.6-7.0 H ARG 79 - QG2 VAL 32 far 0 93 0 - 8.2-9.3 H LEU 29 - QG2 VAL 32 far 0 79 0 - 8.9-9.2 H VAL 54 - QG2 VAL 32 far 0 99 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1408 from cnoeabs.peaks (4.41, 0.83, 22.02 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 32 + QG2 VAL 32 OK 100 100 100 100 2.5-2.8 3.2=100 HA SER 9 - QG2 VAL 32 far 0 94 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 1409 from cnoeabs.peaks (1.94, 0.83, 22.02 ppm; 3.16 A): 2 out of 8 assignments used, quality = 1.00: * HB VAL 32 + QG2 VAL 32 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 GLU 37 + QG2 VAL 32 OK 49 63 80 96 3.2-5.7 ~8839=29, 8836/2.1=26...(24) HB3 LYS 33 - QG2 VAL 32 far 0 85 0 - 6.5-6.8 HB2 LYS 33 - QG2 VAL 32 far 0 88 0 - 6.6-6.8 HB3 ARG 19 - QG2 VAL 32 far 0 99 0 - 8.5-11.0 HB2 GLU 43 - QG2 VAL 32 far 0 70 0 - 9.5-11.3 HB3 LEU 14 - QG2 VAL 32 far 0 61 0 - 9.8-11.0 HB3 MET 74 - QG2 VAL 32 far 0 90 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1410 from cnoeabs.peaks (0.91, 0.83, 22.02 ppm; 2.76 A): 2 out of 6 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 8 + QG2 VAL 32 OK 83 92 100 91 2.0-3.3 12203/2.1=29, ~12204=22...(21) HG13 ILE 7 - QG2 VAL 32 far 0 97 0 - 6.1-7.0 QG2 VAL 5 - QG2 VAL 32 far 0 57 0 - 7.5-8.1 QG2 ILE 76 - QG2 VAL 32 far 0 87 0 - 8.4-9.2 HB2 ARG 81 - QG2 VAL 32 far 0 84 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 1411 from cnoeabs.peaks (0.83, 0.83, 22.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 32 + QG2 VAL 32 OK 100 100 - 100 Peak 1412 from cnoeabs.peaks (9.30, 0.83, 22.02 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 33 + QG2 VAL 32 OK 100 100 100 100 4.0-4.2 4.1=98, 1406/2.1=80...(22) H LEU 6 + QG2 VAL 32 OK 37 99 40 95 5.3-6.1 2.9/10154=54...(13) Violated in 0 structures by 0.00 A. Peak 1413 from cnoeabs.peaks (9.30, 4.53, 56.85 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 33 + HA LYS 33 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1414 from cnoeabs.peaks (4.53, 4.53, 56.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 33 + HA LYS 33 OK 100 100 - 100 Peak 1415 from cnoeabs.peaks (1.92, 4.53, 56.85 ppm; 2.98 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LYS 33 + HA LYS 33 OK 100 100 100 100 2.2-2.3 3.0=98, 2.8/1418=42...(24) HB3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.8-3.0 3.0=98, 2.8/1418=42...(25) HB VAL 32 + HA LYS 33 OK 75 88 100 85 4.1-4.4 2.1/10519=23, 1425=20...(17) HB ILE 8 - HA LYS 33 far 0 90 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 1416 from cnoeabs.peaks (1.92, 4.53, 56.85 ppm; 2.98 A): 3 out of 4 assignments used, quality = 1.00: * HB3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.8-3.0 3.0=98, 2.8/1418=42...(25) HB2 LYS 33 + HA LYS 33 OK 100 100 100 100 2.2-2.3 3.0=98, 2.8/1418=42...(24) HB VAL 32 + HA LYS 33 OK 73 85 100 85 4.1-4.4 2.1/10519=23, 1425=20...(17) HB ILE 8 - HA LYS 33 far 0 92 0 - 5.8-7.1 Violated in 0 structures by 0.00 A. Peak 1417 from cnoeabs.peaks (1.55, 4.53, 56.85 ppm; 3.60 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 33 + HA LYS 33 OK 100 100 100 100 3.9-4.2 1447=83, 1.8/1458=58...(41) HG LEU 6 - HA LYS 33 far 0 88 0 - 9.1-12.1 HB ILE 7 - HA LYS 33 far 0 84 0 - 9.3-10.6 Violated in 20 structures by 0.43 A. Peak 1418 from cnoeabs.peaks (1.50, 4.53, 56.85 ppm; 3.42 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 33 + HA LYS 33 OK 100 100 100 100 3.1-3.6 3.9=66, 1.8/1447=60...(34) HG3 LYS 66 - HA LYS 33 far 0 99 0 - 7.4-9.9 HG2 LYS 66 - HA LYS 33 far 0 98 0 - 8.0-11.0 HG LEU 6 - HA LYS 33 far 0 91 0 - 9.1-12.1 HB ILE 7 - HA LYS 33 far 0 94 0 - 9.3-10.6 Violated in 13 structures by 0.04 A. Peak 1419 from cnoeabs.peaks (1.72, 4.53, 56.85 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 33 + HA LYS 33 OK 100 100 100 100 2.3-3.9 3.0/1418=70, 3.0/1417=66...(46) HD3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.6-4.2 3.0/1418=70, 3.0/1417=66...(46) HG12 ILE 15 - HA LYS 33 far 0 75 0 - 8.6-9.7 HD2 LYS 12 - HA LYS 33 far 0 87 0 - 9.8-12.9 HB ILE 15 - HA LYS 33 far 0 100 0 - 10.0-10.9 HD3 LYS 66 - HA LYS 33 far 0 88 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 1420 from cnoeabs.peaks (1.72, 4.53, 56.85 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 33 + HA LYS 33 OK 100 100 100 100 2.3-3.9 3.0/1418=70, 3.0/1417=66...(46) * HD3 LYS 33 + HA LYS 33 OK 100 100 100 100 2.6-4.2 3.0/1418=70, 3.0/1417=66...(46) HG12 ILE 15 - HA LYS 33 far 0 75 0 - 8.6-9.7 HD2 LYS 12 - HA LYS 33 far 0 87 0 - 9.8-12.9 HB ILE 15 - HA LYS 33 far 0 100 0 - 10.0-10.9 HD3 LYS 66 - HA LYS 33 far 0 88 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 1421 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 33 + HA LYS 33 OK 100 100 100 100 4.4-5.2 3.9/1418=62, 3.9/1417=59...(35) HE3 LYS 33 + HA LYS 33 OK 100 100 100 100 4.6-5.1 3.9/1418=62, 3.9/1417=59...(35) HB2 SER 9 - HA LYS 33 far 0 79 0 - 7.7-9.2 HE2 LYS 12 - HA LYS 33 far 0 98 0 - 8.9-13.5 Violated in 6 structures by 0.03 A. Peak 1422 from cnoeabs.peaks (3.02, 4.53, 56.85 ppm; 4.29 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 33 + HA LYS 33 OK 100 100 100 100 4.4-5.2 3.9/1418=62, 3.9/1417=59...(35) * HE3 LYS 33 + HA LYS 33 OK 100 100 100 100 4.6-5.1 3.9/1418=62, 3.9/1417=59...(35) HB2 SER 9 - HA LYS 33 far 0 79 0 - 7.7-9.2 HE2 LYS 12 - HA LYS 33 far 0 98 0 - 8.9-13.5 Violated in 6 structures by 0.03 A. Peak 1423 from cnoeabs.peaks (7.25, 4.53, 56.85 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + HA LYS 33 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1424 from cnoeabs.peaks (9.30, 1.92, 34.35 ppm; 3.31 A): 3 out of 4 assignments used, quality = 1.00: H LYS 33 + HB3 LYS 33 OK 99 100 100 99 3.0-3.4 4.1=54, 6523/2.8=47...(20) * H LYS 33 + HB2 LYS 33 OK 99 100 100 99 3.8-3.9 4.1=54, 6523/2.8=47...(18) H LYS 33 + HB VAL 32 OK 69 71 100 97 3.0-3.6 6515/3.0=58, 1406/2.1=55...(11) H LEU 6 - HB VAL 32 far 0 67 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 1425 from cnoeabs.peaks (4.53, 1.92, 34.35 ppm; 3.19 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.2-2.3 3.0=100 HA LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.8-3.0 3.0=100 HA LYS 33 + HB VAL 32 OK 64 71 100 91 4.1-4.4 1415=27, 10519/2.1=27...(17) Violated in 0 structures by 0.00 A. Peak 1426 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 33 + HB2 LYS 33 OK 100 100 - 100 HB3 LYS 33 + HB3 LYS 33 OK 100 100 - 100 HB VAL 32 + HB VAL 32 OK 56 56 - 100 Peak 1427 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 LYS 33 + HB2 LYS 33 OK 100 100 - 100 HB3 LYS 33 + HB3 LYS 33 OK 100 100 - 100 HB VAL 32 + HB VAL 32 OK 54 54 - 100 Reference assignment not found: HB3 LYS 33 - HB2 LYS 33 Peak 1428 from cnoeabs.peaks (1.55, 1.92, 34.35 ppm; 3.13 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.4-2.7 2.8=100 HG2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.2-2.4 2.8=100 HG LEU 6 - HB VAL 32 far 0 56 0 - 5.4-8.0 HG12 ILE 56 - HB VAL 32 far 0 62 0 - 6.5-9.9 HG2 LYS 33 - HB VAL 32 far 0 71 0 - 6.6-6.9 HB ILE 7 - HB VAL 32 far 0 52 0 - 6.9-8.2 HG3 ARG 30 - HB VAL 32 far 0 62 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1429 from cnoeabs.peaks (1.50, 1.92, 34.35 ppm; 3.09 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-3.0 2.8=100 HG3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.5-2.7 2.8=100 HG3 LYS 33 - HB VAL 32 far 0 71 0 - 4.9-5.4 HG LEU 6 - HB VAL 32 far 0 58 0 - 5.4-8.0 HG12 ILE 56 - HB VAL 32 far 0 51 0 - 6.5-9.9 HG3 LYS 66 - HB VAL 32 far 0 67 0 - 6.7-9.2 HB ILE 7 - HB VAL 32 far 0 62 0 - 6.9-8.2 HG2 LYS 66 - HB VAL 32 far 0 66 0 - 7.4-10.3 HG2 LYS 66 - HB3 LYS 33 far 0 97 0 - 8.8-12.3 HG3 LYS 66 - HB3 LYS 33 far 0 98 0 - 8.9-10.6 HG3 LYS 66 - HB2 LYS 33 far 0 99 0 - 9.2-11.6 HB3 LEU 64 - HB VAL 32 far 0 65 0 - 9.3-10.8 HG2 LYS 66 - HB2 LYS 33 far 0 98 0 - 9.5-12.7 HG3 ARG 30 - HB VAL 32 far 0 52 0 - 9.5-10.2 HD3 LYS 40 - HB3 LYS 33 far 0 59 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 1430 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.3-2.7 3.5=86, 1472/2.8=24...(67) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-3.7 3.5=86, 1472/2.8=24...(67) HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=86, 1483/2.8=24...(68) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=86, 1483/2.8=24...(68) HD3 LYS 33 - HB VAL 32 far 0 71 0 - 4.9-5.5 HD2 LYS 33 - HB VAL 32 far 0 71 0 - 5.0-7.1 HB ILE 56 - HB VAL 32 far 0 35 0 - 7.4-8.9 HG12 ILE 15 - HB VAL 32 far 0 46 0 - 7.9-9.5 HG LEU 70 - HB VAL 32 far 0 52 0 - 8.3-9.5 HD3 LYS 66 - HB VAL 32 far 0 56 0 - 8.9-10.8 HB3 LEU 70 - HB VAL 32 far 0 68 0 - 9.3-10.8 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.4-13.0 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.6-14.5 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1431 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.3-2.7 3.5=86, 1472/2.8=24...(67) * HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-3.7 3.5=86, 1472/2.8=24...(67) HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=86, 1483/2.8=24...(68) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=86, 1483/2.8=24...(68) HD3 LYS 33 - HB VAL 32 far 0 71 0 - 4.9-5.5 HD2 LYS 33 - HB VAL 32 far 0 71 0 - 5.0-7.1 HB ILE 56 - HB VAL 32 far 0 35 0 - 7.4-8.9 HG12 ILE 15 - HB VAL 32 far 0 46 0 - 7.9-9.5 HG LEU 70 - HB VAL 32 far 0 52 0 - 8.3-9.5 HD3 LYS 66 - HB VAL 32 far 0 56 0 - 8.9-10.8 HB3 LEU 70 - HB VAL 32 far 0 68 0 - 9.3-10.8 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.4-13.0 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.6-14.5 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1432 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.53 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=85, 1505/2.8=42...(57) HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=85, 1505/2.8=42...(57) HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 - HB VAL 32 poor 18 71 25 - 5.5-7.7 HE2 LYS 33 - HB VAL 32 poor 13 71 45 41 4.9-7.9 1501/4.4=20...(6) HB2 SER 9 - HB VAL 32 far 0 49 0 - 7.6-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 98 0 - 8.1-12.9 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.1-10.7 HE2 LYS 12 - HB3 LYS 33 far 0 97 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 1433 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.53 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=85, 1505/2.8=42...(57) * HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=85, 1505/2.8=42...(57) HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 - HB VAL 32 poor 18 71 25 - 5.5-7.7 HE2 LYS 33 - HB VAL 32 poor 13 71 45 41 4.9-7.9 1501/4.4=20...(6) HB2 SER 9 - HB VAL 32 far 0 49 0 - 7.6-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 98 0 - 8.1-12.9 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.1-10.7 HE2 LYS 12 - HB3 LYS 33 far 0 97 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 1434 from cnoeabs.peaks (7.25, 1.92, 34.35 ppm; 3.82 A): 3 out of 3 assignments used, quality = 1.00: H THR 34 + HB3 LYS 33 OK 99 100 100 99 2.7-3.5 4.4=65, 6530/4.1=54...(13) * H THR 34 + HB2 LYS 33 OK 99 100 100 99 4.0-4.4 4.4=65, 6530/4.1=54...(10) H THR 34 + HB VAL 32 OK 70 71 100 99 3.7-4.6 8749/2.1=82, 8764/3.0=59...(9) Violated in 0 structures by 0.00 A. Peak 1435 from cnoeabs.peaks (9.30, 1.92, 34.35 ppm; 3.31 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 33 + HB3 LYS 33 OK 99 100 100 99 3.0-3.4 4.1=54, 6523/2.8=47...(20) H LYS 33 + HB2 LYS 33 OK 99 100 100 99 3.8-3.9 4.1=54, 6523/2.8=47...(18) H LYS 33 + HB VAL 32 OK 64 66 100 97 3.0-3.6 6515/3.0=58, 1406/2.1=55...(11) H LEU 6 - HB VAL 32 far 0 62 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 1436 from cnoeabs.peaks (4.53, 1.92, 34.35 ppm; 3.19 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.8-3.0 3.0=100 HA LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.2-2.3 3.0=100 HA LYS 33 + HB VAL 32 OK 60 66 100 91 4.1-4.4 1415=27, 10519/2.1=27...(17) Violated in 0 structures by 0.00 A. Peak 1437 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LYS 33 + HB3 LYS 33 OK 100 100 - 100 HB2 LYS 33 + HB2 LYS 33 OK 100 100 - 100 HB VAL 32 + HB VAL 32 OK 52 52 - 100 Reference assignment not found: HB2 LYS 33 - HB3 LYS 33 Peak 1438 from cnoeabs.peaks (1.92, 1.92, 34.35 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 33 + HB3 LYS 33 OK 100 100 - 100 HB2 LYS 33 + HB2 LYS 33 OK 100 100 - 100 HB VAL 32 + HB VAL 32 OK 50 50 - 100 Peak 1439 from cnoeabs.peaks (1.55, 1.92, 34.35 ppm; 3.13 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.2-2.4 2.8=100 HG2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.4-2.7 2.8=100 HG LEU 6 - HB VAL 32 far 0 52 0 - 5.4-8.0 HG12 ILE 56 - HB VAL 32 far 0 58 0 - 6.5-9.9 HG2 LYS 33 - HB VAL 32 far 0 66 0 - 6.6-6.9 HB ILE 7 - HB VAL 32 far 0 48 0 - 6.9-8.2 HG3 ARG 30 - HB VAL 32 far 0 57 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 1440 from cnoeabs.peaks (1.50, 1.92, 34.35 ppm; 3.09 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 2.5-2.7 2.8=100 HG3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.9-3.0 2.8=100 HG3 LYS 33 - HB VAL 32 far 0 66 0 - 4.9-5.4 HG LEU 6 - HB VAL 32 far 0 54 0 - 5.4-8.0 HG12 ILE 56 - HB VAL 32 far 0 47 0 - 6.5-9.9 HG3 LYS 66 - HB VAL 32 far 0 62 0 - 6.7-9.2 HB ILE 7 - HB VAL 32 far 0 57 0 - 6.9-8.2 HG2 LYS 66 - HB VAL 32 far 0 61 0 - 7.4-10.3 HG2 LYS 66 - HB3 LYS 33 far 0 98 0 - 8.8-12.3 HG3 LYS 66 - HB3 LYS 33 far 0 99 0 - 8.9-10.6 HG3 LYS 66 - HB2 LYS 33 far 0 98 0 - 9.2-11.6 HB3 LEU 64 - HB VAL 32 far 0 60 0 - 9.3-10.8 HG2 LYS 66 - HB2 LYS 33 far 0 97 0 - 9.5-12.7 HG3 ARG 30 - HB VAL 32 far 0 48 0 - 9.5-10.2 HD3 LYS 40 - HB3 LYS 33 far 0 59 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 1441 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: * HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=86, 1472/2.8=24...(68) HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=86, 1472/2.8=24...(68) HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.3-2.7 3.5=86, 1483/2.8=24...(67) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-3.7 3.5=86, 1483/2.8=24...(67) HD3 LYS 33 - HB VAL 32 far 0 66 0 - 4.9-5.5 HD2 LYS 33 - HB VAL 32 far 0 66 0 - 5.0-7.1 HB ILE 56 - HB VAL 32 far 0 32 0 - 7.4-8.9 HG12 ILE 15 - HB VAL 32 far 0 42 0 - 7.9-9.5 HG LEU 70 - HB VAL 32 far 0 48 0 - 8.3-9.5 HD3 LYS 66 - HB VAL 32 far 0 52 0 - 8.9-10.8 HB3 LEU 70 - HB VAL 32 far 0 64 0 - 9.3-10.8 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.4-13.0 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.6-14.5 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1442 from cnoeabs.peaks (1.72, 1.92, 34.35 ppm; 3.38 A): 4 out of 14 assignments used, quality = 1.00: HD2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=86, 1472/2.8=24...(68) * HD3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=86, 1472/2.8=24...(68) HD2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.3-2.7 3.5=86, 1483/2.8=24...(67) HD3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-3.7 3.5=86, 1483/2.8=24...(67) HD3 LYS 33 - HB VAL 32 far 0 66 0 - 4.9-5.5 HD2 LYS 33 - HB VAL 32 far 0 66 0 - 5.0-7.1 HB ILE 56 - HB VAL 32 far 0 32 0 - 7.4-8.9 HG12 ILE 15 - HB VAL 32 far 0 42 0 - 7.9-9.5 HG LEU 70 - HB VAL 32 far 0 48 0 - 8.3-9.5 HD3 LYS 66 - HB VAL 32 far 0 52 0 - 8.9-10.8 HB3 LEU 70 - HB VAL 32 far 0 64 0 - 9.3-10.8 HD2 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.4-13.0 HD3 LYS 12 - HB2 LYS 33 far 0 87 0 - 9.6-14.5 HG12 ILE 15 - HB2 LYS 33 far 0 75 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1443 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.53 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=85, 1505/2.8=42...(56) HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=85, 1505/2.8=42...(57) HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=85, 1505/2.8=42...(57) HE3 LYS 33 - HB VAL 32 poor 16 66 25 - 5.5-7.7 HE2 LYS 33 - HB VAL 32 poor 12 66 45 41 4.9-7.9 1501/4.4=20...(6) HB2 SER 9 - HB VAL 32 far 0 45 0 - 7.6-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 97 0 - 8.1-12.9 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.1-10.7 HE2 LYS 12 - HB3 LYS 33 far 0 98 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 1444 from cnoeabs.peaks (3.02, 1.92, 34.35 ppm; 4.53 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=85, 1505/2.8=42...(56) * HE3 LYS 33 + HB3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=85, 1505/2.8=42...(56) HE2 LYS 33 + HB2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=85, 1505/2.8=42...(57) HE3 LYS 33 + HB2 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=85, 1505/2.8=42...(57) HE3 LYS 33 - HB VAL 32 poor 16 66 25 - 5.5-7.7 HE2 LYS 33 - HB VAL 32 poor 12 66 45 41 4.9-7.9 1501/4.4=20...(6) HB2 SER 9 - HB VAL 32 far 0 45 0 - 7.6-9.3 HE2 LYS 12 - HB2 LYS 33 far 0 97 0 - 8.1-12.9 HB2 SER 9 - HB2 LYS 33 far 0 79 0 - 9.1-10.7 HE2 LYS 12 - HB3 LYS 33 far 0 98 0 - 9.6-14.5 Violated in 0 structures by 0.00 A. Peak 1445 from cnoeabs.peaks (7.25, 1.92, 34.35 ppm; 3.82 A): 3 out of 3 assignments used, quality = 1.00: * H THR 34 + HB3 LYS 33 OK 99 100 100 99 2.7-3.5 4.4=65, 6530/4.1=54...(13) H THR 34 + HB2 LYS 33 OK 99 100 100 99 4.0-4.4 4.4=65, 6530/4.1=54...(10) H THR 34 + HB VAL 32 OK 65 66 100 99 3.7-4.6 8749/2.1=82, 8764/3.0=59...(9) Violated in 0 structures by 0.00 A. Peak 1446 from cnoeabs.peaks (9.30, 1.55, 24.85 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 33 + HG2 LYS 33 OK 100 100 100 100 3.7-4.0 6522=100, 6523/1.8=91...(20) Violated in 0 structures by 0.00 A. Peak 1447 from cnoeabs.peaks (4.53, 1.55, 24.85 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 33 + HG2 LYS 33 OK 100 100 100 100 3.9-4.2 1417=100, 1418/1.8=85...(41) Violated in 20 structures by 0.20 A. Peak 1448 from cnoeabs.peaks (1.92, 1.55, 24.85 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.4-2.7 2.8=100 HB3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.2-2.4 2.8=100 HB VAL 32 - HG2 LYS 33 far 0 88 0 - 6.6-6.9 HB ILE 8 - HG2 LYS 33 far 0 90 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 1449 from cnoeabs.peaks (1.92, 1.55, 24.85 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.2-2.4 2.8=100 HB2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.4-2.7 2.8=100 HB VAL 32 - HG2 LYS 33 far 0 85 0 - 6.6-6.9 HB ILE 8 - HG2 LYS 33 far 0 92 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 1450 from cnoeabs.peaks (1.55, 1.55, 24.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 33 + HG2 LYS 33 OK 100 100 - 100 Peak 1451 from cnoeabs.peaks (1.50, 1.55, 24.85 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 40 - HG2 LYS 33 far 0 59 0 - 9.1-12.0 HG LEU 6 - HG2 LYS 33 far 0 91 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1452 from cnoeabs.peaks (1.72, 1.55, 24.85 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-2.9 3.0=100 HD3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.7-3.0 3.0=100 HD2 LYS 12 - HG2 LYS 33 far 0 87 0 - 9.2-12.7 HD3 LYS 12 - HG2 LYS 33 far 0 87 0 - 9.2-14.2 Violated in 0 structures by 0.00 A. Peak 1453 from cnoeabs.peaks (1.72, 1.55, 24.85 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: HD2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.3-2.9 3.0=100 * HD3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.7-3.0 3.0=100 HD2 LYS 12 - HG2 LYS 33 far 0 87 0 - 9.2-12.7 HD3 LYS 12 - HG2 LYS 33 far 0 87 0 - 9.2-14.2 Violated in 0 structures by 0.00 A. Peak 1454 from cnoeabs.peaks (3.02, 1.55, 24.85 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.0-3.5 3.9=100 * HE2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.1-3.9 3.9=100 HE2 LYS 12 - HG2 LYS 33 far 0 98 0 - 8.0-13.1 Violated in 0 structures by 0.00 A. Peak 1455 from cnoeabs.peaks (3.02, 1.55, 24.85 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.0-3.5 3.9=100 HE2 LYS 33 + HG2 LYS 33 OK 100 100 100 100 2.1-3.9 3.9=100 HE2 LYS 12 - HG2 LYS 33 far 0 98 0 - 8.0-13.1 Violated in 0 structures by 0.00 A. Peak 1456 from cnoeabs.peaks (7.25, 1.55, 24.85 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + HG2 LYS 33 OK 100 100 100 100 4.4-4.7 4.9=100 Violated in 0 structures by 0.00 A. Peak 1457 from cnoeabs.peaks (9.30, 1.50, 24.85 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.1-2.5 6523=100, 6522/1.8=88...(28) H LYS 33 - HG2 LYS 66 far 0 73 0 - 7.9-11.4 H LYS 33 - HG3 LYS 66 far 0 76 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 1458 from cnoeabs.peaks (4.53, 1.50, 24.85 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * HA LYS 33 + HG3 LYS 33 OK 100 100 100 100 3.1-3.6 1418=100, 1417/1.8=81...(36) HA PHE 45 - HG2 LYS 47 poor 14 82 30 56 4.7-8.0 6760/6772=34...(3) HA LYS 33 - HG3 LYS 66 far 0 76 0 - 7.4-9.9 HA LYS 33 - HG2 LYS 66 far 0 73 0 - 8.0-11.0 Violated in 0 structures by 0.00 A. Peak 1459 from cnoeabs.peaks (1.92, 1.50, 24.85 ppm; 2.72 A): 6 out of 28 assignments used, quality = 1.00: * HB2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(37) HB3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.5-2.7 2.8=87, 3.0/1418=33...(36) HB2 LYS 13 + HG3 LYS 13 OK 92 94 100 97 2.2-2.8 3.0=77, 3.0/486=33...(48) HB3 LYS 13 + HG3 LYS 13 OK 91 94 100 97 2.2-3.0 3.0=77, 3.0/486=33...(49) HB3 LYS 47 + HG2 LYS 47 OK 85 87 100 98 2.3-3.0 3.0=77, 2146/6772=23...(61) HB3 LYS 73 + HG2 LYS 73 OK 46 47 100 98 2.5-3.0 2.9=80, 3.0/3231=21...(61) HB3 LEU 14 - HG3 LYS 13 far 13 88 15 - 3.8-5.1 HB2 GLU 43 - HG2 LYS 47 far 4 85 5 - 4.2-8.7 HB VAL 32 - HG3 LYS 33 far 0 88 0 - 4.9-5.4 HB3 LYS 20 - HG3 LYS 24 far 0 88 0 - 5.5-7.6 HB2 LYS 94 - HG3 LYS 24 far 0 95 0 - 5.9-10.5 HB VAL 32 - HG3 LYS 66 far 0 61 0 - 6.7-9.2 HB ILE 8 - HG2 LYS 66 far 0 60 0 - 6.9-9.5 HB2 LYS 20 - HG3 LYS 24 far 0 73 0 - 7.0-9.1 HB ILE 8 - HG3 LYS 66 far 0 62 0 - 7.0-9.4 HB2 GLU 17 - HG3 LYS 13 far 0 77 0 - 7.0-9.5 HB VAL 32 - HG2 LYS 66 far 0 58 0 - 7.4-10.3 HB ILE 8 - HG3 LYS 33 far 0 90 0 - 8.2-9.3 HG LEU 42 - HG3 LYS 66 far 0 63 0 - 8.7-12.8 HB3 LYS 33 - HG2 LYS 66 far 0 73 0 - 8.8-12.3 HB3 LYS 33 - HG3 LYS 66 far 0 76 0 - 8.9-10.6 HG LEU 42 - HG2 LYS 73 far 0 76 0 - 9.0-11.8 HB2 LYS 33 - HG3 LYS 66 far 0 76 0 - 9.2-11.6 HB2 LYS 33 - HG2 LYS 66 far 0 73 0 - 9.5-12.7 HG LEU 42 - HG2 LYS 47 far 0 75 0 - 9.6-13.8 HG3 GLU 88 - HG3 LYS 13 far 0 74 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 79 0 - 9.8-13.2 HG LEU 42 - HG2 LYS 66 far 0 61 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 1460 from cnoeabs.peaks (1.92, 1.50, 24.85 ppm; 2.72 A): 5 out of 27 assignments used, quality = 1.00: HB2 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.9-3.0 2.8=87, 3.0/1418=33...(37) * HB3 LYS 33 + HG3 LYS 33 OK 99 100 100 99 2.5-2.7 2.8=87, 3.0/1418=33...(36) HB2 LYS 13 + HG3 LYS 13 OK 92 94 100 97 2.2-2.8 3.0=77, 3.0/486=33...(49) HB3 LYS 13 + HG3 LYS 13 OK 92 94 100 97 2.2-3.0 3.0=77, 3.0/486=33...(49) HB3 LYS 47 + HG2 LYS 47 OK 84 86 100 98 2.3-3.0 3.0=77, 2146/6772=23...(61) HB3 LEU 14 - HG3 LYS 13 far 13 90 15 - 3.8-5.1 HB2 GLU 43 - HG2 LYS 47 far 4 86 5 - 4.2-8.7 HB VAL 32 - HG3 LYS 33 far 0 85 0 - 4.9-5.4 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 5.5-7.6 HB2 LYS 94 - HG3 LYS 24 far 0 94 0 - 5.9-10.5 HB VAL 32 - HG3 LYS 66 far 0 58 0 - 6.7-9.2 HB ILE 8 - HG2 LYS 66 far 0 62 0 - 6.9-9.5 HB2 LYS 20 - HG3 LYS 24 far 0 76 0 - 7.0-9.1 HB ILE 8 - HG3 LYS 66 far 0 64 0 - 7.0-9.4 HB2 GLU 17 - HG3 LYS 13 far 0 74 0 - 7.0-9.5 HB VAL 32 - HG2 LYS 66 far 0 56 0 - 7.4-10.3 HB ILE 8 - HG3 LYS 33 far 0 92 0 - 8.2-9.3 HG LEU 42 - HG3 LYS 66 far 0 65 0 - 8.7-12.8 HB3 LYS 33 - HG2 LYS 66 far 0 73 0 - 8.8-12.3 HB3 LYS 33 - HG3 LYS 66 far 0 76 0 - 8.9-10.6 HG LEU 42 - HG2 LYS 73 far 0 79 0 - 9.0-11.8 HB2 LYS 33 - HG3 LYS 66 far 0 76 0 - 9.2-11.6 HB2 LYS 33 - HG2 LYS 66 far 0 73 0 - 9.5-12.7 HG LEU 42 - HG2 LYS 47 far 0 77 0 - 9.6-13.8 HG3 GLU 88 - HG3 LYS 13 far 0 71 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 76 0 - 9.8-13.2 HG LEU 42 - HG2 LYS 66 far 0 63 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 1461 from cnoeabs.peaks (1.55, 1.50, 24.85 ppm; 2.40 A): 2 out of 11 assignments used, quality = 1.00: * HG2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 55 55 100 100 1.8-1.8 1.8=100 HB2 LEU 14 - HG3 LYS 13 far 4 74 5 - 3.6-5.6 HG3 LYS 90 - HG3 LYS 24 far 0 58 0 - 8.2-12.4 HG LEU 6 - HG3 LYS 33 far 0 88 0 - 8.3-11.7 HG3 LYS 90 - HG3 LYS 13 far 0 57 0 - 8.4-12.6 HG12 ILE 56 - HG3 LYS 66 far 0 67 0 - 8.5-12.5 HD3 LYS 82 - HG2 LYS 66 far 0 64 0 - 9.0-11.7 HG12 ILE 56 - HG2 LYS 66 far 0 65 0 - 9.1-12.5 HB ILE 7 - HG3 LYS 33 far 0 84 0 - 9.3-11.2 HG3 ARG 30 - HG3 LYS 33 far 0 94 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1462 from cnoeabs.peaks (1.50, 1.50, 24.85 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG3 LYS 33 + HG3 LYS 33 OK 100 100 - 100 HG3 LYS 24 + HG3 LYS 24 OK 95 95 - 100 HG3 LYS 13 + HG3 LYS 13 OK 93 93 - 100 HG2 LYS 73 + HG2 LYS 73 OK 85 85 - 100 HG2 LYS 47 + HG2 LYS 47 OK 83 83 - 100 HG3 LYS 66 + HG3 LYS 66 OK 72 72 - 100 HG2 LYS 66 + HG2 LYS 66 OK 68 68 - 100 Peak 1463 from cnoeabs.peaks (1.72, 1.50, 24.85 ppm; 2.74 A): 8 out of 30 assignments used, quality = 1.00: HD3 LYS 33 + HG3 LYS 33 OK 98 100 100 98 2.2-2.6 3.0=79, 1483/1.8=24...(52) * HD2 LYS 33 + HG3 LYS 33 OK 98 100 100 98 2.7-3.0 3.0=79, 1483/1.8=24...(52) HD3 LYS 13 + HG3 LYS 13 OK 78 80 100 97 2.4-3.0 3.0=80, 5.5/486=12...(51) HD2 LYS 13 + HG3 LYS 13 OK 75 77 100 97 2.4-3.0 3.0=80, 5.5/486=12...(51) HD3 LYS 24 + HG3 LYS 24 OK 71 73 100 98 2.6-3.0 3.0=80, 4.9/1096=14...(66) HD2 LYS 24 + HG3 LYS 24 OK 70 71 100 98 2.2-3.0 3.0=80, 4.9/1096=14...(65) HD3 LYS 66 + HG3 LYS 66 OK 59 61 100 97 2.7-3.0 2.9=81, 2943/3.0=27...(37) HD3 LYS 66 + HG2 LYS 66 OK 57 58 100 97 2.4-2.9 2.9=81, 2943/3.0=27...(37) HG LEU 70 - HG3 LYS 66 far 9 57 15 - 2.8-7.1 HG2 PRO 86 - HG3 LYS 13 far 6 64 10 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 87 0 - 4.5-6.5 HG LEU 70 - HG2 LYS 66 far 0 55 0 - 4.5-7.0 HB3 LEU 70 - HG3 LYS 66 far 0 73 0 - 5.5-9.9 HG LEU 70 - HG2 LYS 73 far 0 69 0 - 5.7-7.5 HD3 LYS 12 - HG3 LYS 13 far 0 77 0 - 7.1-9.6 HB ILE 15 - HG3 LYS 13 far 0 93 0 - 7.1-7.5 HD2 LYS 12 - HG3 LYS 13 far 0 77 0 - 7.2-9.2 HB3 LEU 70 - HG2 LYS 66 far 0 71 0 - 7.2-9.9 HG12 ILE 15 - HG3 LYS 13 far 0 66 0 - 7.5-8.5 HD3 LYS 66 - HG2 LYS 73 far 0 74 0 - 8.1-10.9 HD2 LYS 90 - HG3 LYS 13 far 0 88 0 - 8.3-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 71 0 - 8.3-12.4 HD3 LYS 90 - HG3 LYS 24 far 0 73 0 - 9.1-13.1 HB ILE 56 - HG2 LYS 66 far 0 36 0 - 9.3-11.1 HD2 LYS 90 - HG3 LYS 24 far 0 90 0 - 9.4-13.6 HG12 ILE 15 - HG3 LYS 33 far 0 75 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 87 0 - 9.7-13.2 HD3 LYS 33 - HG3 LYS 66 far 0 76 0 - 9.8-12.6 HB ILE 56 - HG3 LYS 66 far 0 38 0 - 10.0-11.2 HD3 LYS 12 - HG3 LYS 33 far 0 87 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1464 from cnoeabs.peaks (1.72, 1.50, 24.85 ppm; 2.74 A): 8 out of 30 assignments used, quality = 1.00: * HD3 LYS 33 + HG3 LYS 33 OK 98 100 100 98 2.2-2.6 3.0=79, 1483/1.8=24...(52) HD2 LYS 33 + HG3 LYS 33 OK 98 100 100 98 2.7-3.0 3.0=79, 1483/1.8=24...(52) HD3 LYS 13 + HG3 LYS 13 OK 78 80 100 97 2.4-3.0 3.0=80, 5.5/486=12...(51) HD2 LYS 13 + HG3 LYS 13 OK 75 77 100 97 2.4-3.0 3.0=80, 5.5/486=12...(51) HD3 LYS 24 + HG3 LYS 24 OK 71 73 100 98 2.6-3.0 3.0=80, 4.9/1096=14...(66) HD2 LYS 24 + HG3 LYS 24 OK 70 71 100 98 2.2-3.0 3.0=80, 4.9/1096=14...(65) HD3 LYS 66 + HG3 LYS 66 OK 59 61 100 97 2.7-3.0 2.9=81, 2943/3.0=27...(37) HD3 LYS 66 + HG2 LYS 66 OK 57 58 100 97 2.4-2.9 2.9=81, 2943/3.0=27...(37) HG LEU 70 - HG3 LYS 66 far 9 57 15 - 2.8-7.1 HG2 PRO 86 - HG3 LYS 13 far 6 64 10 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 87 0 - 4.5-6.5 HG LEU 70 - HG2 LYS 66 far 0 55 0 - 4.5-7.0 HB3 LEU 70 - HG3 LYS 66 far 0 73 0 - 5.5-9.9 HG LEU 70 - HG2 LYS 73 far 0 69 0 - 5.7-7.5 HD3 LYS 12 - HG3 LYS 13 far 0 77 0 - 7.1-9.6 HB ILE 15 - HG3 LYS 13 far 0 93 0 - 7.1-7.5 HD2 LYS 12 - HG3 LYS 13 far 0 77 0 - 7.2-9.2 HB3 LEU 70 - HG2 LYS 66 far 0 71 0 - 7.2-9.9 HG12 ILE 15 - HG3 LYS 13 far 0 66 0 - 7.5-8.5 HD3 LYS 66 - HG2 LYS 73 far 0 74 0 - 8.1-10.9 HD2 LYS 90 - HG3 LYS 13 far 0 88 0 - 8.3-12.4 HD3 LYS 90 - HG3 LYS 13 far 0 71 0 - 8.3-12.4 HD3 LYS 90 - HG3 LYS 24 far 0 73 0 - 9.1-13.1 HB ILE 56 - HG2 LYS 66 far 0 36 0 - 9.3-11.1 HD2 LYS 90 - HG3 LYS 24 far 0 90 0 - 9.4-13.6 HG12 ILE 15 - HG3 LYS 33 far 0 75 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 87 0 - 9.7-13.2 HD3 LYS 33 - HG3 LYS 66 far 0 76 0 - 9.8-12.6 HB ILE 56 - HG3 LYS 66 far 0 38 0 - 10.0-11.2 HD3 LYS 12 - HG3 LYS 33 far 0 87 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1465 from cnoeabs.peaks (3.02, 1.50, 24.85 ppm; 3.96 A): 3 out of 9 assignments used, quality = 1.00: HE3 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.1-4.2 3.9=100 * HE2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.9-3.9 3.9=100 HB3 ASP 11 + HG3 LYS 13 OK 54 74 100 73 2.9-4.2 1.8/8363=23...(10) HB2 PHE 45 - HG2 LYS 47 far 0 50 0 - 6.5-9.6 HB3 ASN 60 - HG2 LYS 66 far 0 38 0 - 6.8-9.8 HB2 SER 9 - HG3 LYS 13 far 0 69 0 - 7.0-9.4 HB3 ASN 60 - HG3 LYS 66 far 0 39 0 - 7.5-11.1 HE2 LYS 12 - HG3 LYS 13 far 0 90 0 - 8.1-10.3 HE2 LYS 12 - HG3 LYS 33 far 0 98 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 1466 from cnoeabs.peaks (3.02, 1.50, 24.85 ppm; 3.96 A): 3 out of 9 assignments used, quality = 1.00: * HE3 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.1-4.2 3.9=100 HE2 LYS 33 + HG3 LYS 33 OK 100 100 100 100 2.9-3.9 3.9=100 HB3 ASP 11 + HG3 LYS 13 OK 54 74 100 73 2.9-4.2 1.8/8363=23...(10) HB2 PHE 45 - HG2 LYS 47 far 0 50 0 - 6.5-9.6 HB3 ASN 60 - HG2 LYS 66 far 0 38 0 - 6.8-9.8 HB2 SER 9 - HG3 LYS 13 far 0 69 0 - 7.0-9.4 HB3 ASN 60 - HG3 LYS 66 far 0 39 0 - 7.5-11.1 HE2 LYS 12 - HG3 LYS 13 far 0 90 0 - 8.1-10.3 HE2 LYS 12 - HG3 LYS 33 far 0 98 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 1467 from cnoeabs.peaks (7.25, 1.50, 24.85 ppm; 6.02 A): 1 out of 3 assignments used, quality = 1.00: * H THR 34 + HG3 LYS 33 OK 100 100 100 100 3.1-3.8 4.9=100 H THR 34 - HG3 LYS 66 poor 19 76 25 - 7.0-9.1 H THR 34 - HG2 LYS 66 far 7 73 10 - 6.5-10.5 Violated in 0 structures by 0.00 A. Peak 1468 from cnoeabs.peaks (9.30, 1.72, 28.64 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: H LYS 33 + HD3 LYS 33 OK 100 100 100 100 3.2-4.2 6523/3.0=83, 6522/3.0=83...(24) * H LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.3-5.0 6523/3.0=83, 6522/3.0=83...(24) Violated in 0 structures by 0.00 A. Peak 1469 from cnoeabs.peaks (4.53, 1.72, 28.64 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-3.9 1418/3.0=78, 1417/3.0=75...(46) HA LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.6-4.2 1418/3.0=78, 1417/3.0=75...(46) Violated in 0 structures by 0.00 A. Peak 1470 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 10 out of 27 assignments used, quality = 1.00: * HB2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-2.7 3.5=68, 3.0/1420=18...(52) HB2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.6-3.7 3.5=68, 3.0/1420=18...(52) HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=68, 3.0/1419=18...(52) HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=68, 3.0/1419=18...(52) HB2 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.1-4.1 3.6=66, 3.0/488=17...(87) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 99 2.4-4.2 3.6=66, 3.0/488=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.2-3.9 3.6=66, 3.0/488=18...(87) HB3 LYS 13 + HD2 LYS 13 OK 49 50 100 99 2.1-4.2 3.6=66, 3.0/488=18...(86) HB3 LEU 14 + HD3 LYS 13 OK 27 48 85 66 3.1-5.8 520/3.0=9, ~245=7...(24) HB3 LEU 14 + HD2 LYS 13 OK 25 45 85 67 2.9-6.1 520/3.0=9, ~245=7...(24) HB2 GLU 17 - HD3 LYS 13 far 2 41 5 - 4.6-10.5 HB3 LYS 20 - HD3 LYS 24 far 2 40 5 - 4.4-8.9 HB2 GLU 17 - HD2 LYS 13 far 0 38 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 88 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 88 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 38 0 - 5.0-8.4 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 5.2-11.0 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 5.6-12.0 HB2 LYS 20 - HD3 LYS 24 far 0 31 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 30 0 - 6.2-9.8 HB ILE 8 - HD2 LYS 33 far 0 90 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 90 0 - 7.1-8.8 HG3 GLU 88 - HD2 LYS 13 far 0 36 0 - 8.5-13.2 HG3 GLU 88 - HD3 LYS 13 far 0 39 0 - 8.6-12.2 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 9.5-13.9 HB2 ARG 19 - HD2 LYS 13 far 0 37 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 41 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1471 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 10 out of 27 assignments used, quality = 1.00: * HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=68, 3.0/1419=18...(52) HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=68, 3.0/1419=18...(52) HB2 LYS 33 + HD2 LYS 33 OK 99 100 100 100 2.3-2.7 3.5=68, 3.0/1420=18...(51) HB2 LYS 33 + HD3 LYS 33 OK 99 100 100 100 2.6-3.7 3.5=68, 3.0/1420=18...(51) HB2 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.1-4.1 3.6=66, 3.0/488=17...(87) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 99 2.4-4.2 3.6=66, 3.0/488=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.2-3.9 3.6=66, 3.0/488=18...(87) HB3 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.1-4.2 3.6=66, 3.0/488=18...(86) HB3 LEU 14 + HD3 LYS 13 OK 28 50 85 67 3.1-5.8 520/3.0=9, ~245=7...(24) HB3 LEU 14 + HD2 LYS 13 OK 26 46 85 67 2.9-6.1 520/3.0=9, ~245=7...(24) HB2 GLU 17 - HD3 LYS 13 far 2 39 5 - 4.6-10.5 HB3 LYS 20 - HD3 LYS 24 far 2 38 5 - 4.4-8.9 HB2 GLU 17 - HD2 LYS 13 far 0 36 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 85 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 85 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 37 0 - 5.0-8.4 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 5.2-11.0 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 5.6-12.0 HB2 LYS 20 - HD3 LYS 24 far 0 33 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 31 0 - 6.2-9.8 HB ILE 8 - HD2 LYS 33 far 0 92 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 92 0 - 7.1-8.8 HG3 GLU 88 - HD2 LYS 13 far 0 34 0 - 8.5-13.2 HG3 GLU 88 - HD3 LYS 13 far 0 37 0 - 8.6-12.2 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 9.5-13.9 HB2 ARG 19 - HD2 LYS 13 far 0 39 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 40 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1472 from cnoeabs.peaks (1.55, 1.72, 28.64 ppm; 2.70 A): 4 out of 16 assignments used, quality = 1.00: * HG2 LYS 33 + HD2 LYS 33 OK 97 100 100 97 2.3-2.9 3.0=76, 1494/3.0=16...(43) HG2 LYS 33 + HD3 LYS 33 OK 97 100 100 97 2.7-3.0 3.0=76, 1494/3.0=16...(43) HG2 LYS 24 + HD3 LYS 24 OK 21 22 100 96 2.2-2.9 3.0=77, 1.8/1464=7...(62) HG2 LYS 24 + HD2 LYS 24 OK 20 21 100 96 2.2-3.0 3.0=77, 1.8/1463=7...(62) HB2 LEU 14 - HD3 LYS 13 poor 17 39 85 50 2.9-6.2 245/3.0=7, 3.1/10404=5...(24) HB2 LEU 14 - HD2 LYS 13 poor 15 36 85 50 2.7-6.8 245/3.0=7, 3.1/10404=5...(24) HG3 LYS 90 - HD3 LYS 13 far 0 28 0 - 6.7-14.1 HG3 LYS 90 - HD2 LYS 13 far 0 26 0 - 6.9-13.4 HG3 LYS 90 - HD3 LYS 24 far 0 24 0 - 7.5-13.4 HG LEU 6 - HD3 LYS 33 far 0 88 0 - 7.5-11.9 HB ILE 7 - HD3 LYS 33 far 0 84 0 - 8.2-9.8 HG3 LYS 90 - HD2 LYS 24 far 0 23 0 - 8.6-13.7 HB ILE 7 - HD2 LYS 33 far 0 84 0 - 8.7-11.2 HG LEU 6 - HD2 LYS 33 far 0 88 0 - 8.8-13.4 HG3 ARG 30 - HD3 LYS 33 far 0 94 0 - 9.1-11.4 HG2 ARG 19 - HD3 LYS 13 far 0 27 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1473 from cnoeabs.peaks (1.50, 1.72, 28.64 ppm; 2.65 A): 6 out of 15 assignments used, quality = 1.00: HG3 LYS 33 + HD3 LYS 33 OK 95 100 100 95 2.2-2.6 3.0=72, 1495/3.0=14...(40) * HG3 LYS 33 + HD2 LYS 33 OK 95 100 100 95 2.7-3.0 3.0=72, 1495/3.0=14...(40) HG3 LYS 13 + HD3 LYS 13 OK 50 53 100 95 2.4-3.0 3.0=72, 486/5.5=11...(43) HG3 LYS 13 + HD2 LYS 13 OK 46 49 100 95 2.4-3.0 3.0=72, 486/488=11...(43) HG3 LYS 24 + HD3 LYS 24 OK 43 46 100 96 2.6-3.0 3.0=72, 1096/4.9=14...(55) HG3 LYS 24 + HD2 LYS 24 OK 41 43 100 96 2.2-3.0 3.0=72, 1096/4.9=14...(55) HB2 LEU 14 - HD3 LYS 13 poor 19 46 85 49 2.9-6.2 245/3.0=8, 3.1/10404=4...(23) HB2 LEU 14 - HD2 LYS 13 poor 18 43 85 49 2.7-6.8 245/3.0=8, 3.1/10404=4...(23) HG LEU 6 - HD3 LYS 33 far 0 91 0 - 7.5-11.9 HB ILE 7 - HD3 LYS 33 far 0 94 0 - 8.2-9.8 HB ILE 7 - HD2 LYS 33 far 0 94 0 - 8.7-11.2 HG LEU 6 - HD2 LYS 33 far 0 91 0 - 8.8-13.4 HG3 ARG 30 - HD3 LYS 33 far 0 84 0 - 9.1-11.4 HD3 LYS 40 - HD3 LYS 33 far 0 59 0 - 9.6-13.1 HG3 LYS 66 - HD3 LYS 33 far 0 99 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1474 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 * HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 43 43 - 100 HD2 LYS 13 + HD2 LYS 13 OK 38 38 - 100 HD3 LYS 24 + HD3 LYS 24 OK 31 31 - 100 HD2 LYS 24 + HD2 LYS 24 OK 29 29 - 100 Peak 1475 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 43 43 - 100 HD2 LYS 13 + HD2 LYS 13 OK 38 38 - 100 HD3 LYS 24 + HD3 LYS 24 OK 31 31 - 100 HD2 LYS 24 + HD2 LYS 24 OK 29 29 - 100 Reference assignment not found: HD3 LYS 33 - HD2 LYS 33 Peak 1476 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.14 A): 4 out of 14 assignments used, quality = 1.00: HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-2.9 3.0=100 * HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 poor 18 39 100 47 2.3-3.8 423/3.0=15, ~8363=8...(11) HB3 ASP 11 - HD2 LYS 13 poor 16 36 95 47 2.4-4.7 423/3.0=15, ~8363=8...(11) HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.0-11.4 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 6.5-8.8 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 7.1-12.0 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 7.5-9.8 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 7.6-10.6 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 1477 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.14 A): 4 out of 14 assignments used, quality = 1.00: HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 * HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-2.9 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 poor 18 39 100 47 2.3-3.8 423/3.0=15, ~8363=8...(11) HB3 ASP 11 - HD2 LYS 13 poor 16 36 95 47 2.4-4.7 423/3.0=15, ~8363=8...(11) HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.0-11.4 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 6.5-8.8 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 7.1-12.0 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 7.5-9.8 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 7.6-10.6 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 1478 from cnoeabs.peaks (7.25, 1.72, 28.64 ppm; 6.10 A): 2 out of 2 assignments used, quality = 1.00: * H THR 34 + HD2 LYS 33 OK 100 100 100 100 4.7-6.0 6535/3.0=96, 6534/3.0=95...(10) H THR 34 + HD3 LYS 33 OK 100 100 100 100 4.7-5.4 6535/3.0=96, 6534/3.0=95...(10) Violated in 0 structures by 0.00 A. Peak 1479 from cnoeabs.peaks (9.30, 1.72, 28.64 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 33 + HD3 LYS 33 OK 100 100 100 100 3.2-4.2 6523/3.0=83, 6522/3.0=83...(24) H LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.3-5.0 6523/3.0=83, 6522/3.0=83...(24) Violated in 0 structures by 0.00 A. Peak 1480 from cnoeabs.peaks (4.53, 1.72, 28.64 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-3.9 1418/3.0=78, 1417/3.0=75...(46) * HA LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.6-4.2 1418/3.0=78, 1417/3.0=75...(46) Violated in 0 structures by 0.00 A. Peak 1481 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 10 out of 27 assignments used, quality = 1.00: HB2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-2.7 3.5=68, 3.0/1420=18...(52) * HB2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.6-3.7 3.5=68, 3.0/1420=18...(52) HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=68, 3.0/1419=18...(52) HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=68, 3.0/1419=18...(52) HB2 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.1-4.1 3.6=66, 3.0/488=17...(87) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 99 2.4-4.2 3.6=66, 3.0/488=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.2-3.9 3.6=66, 3.0/488=18...(87) HB3 LYS 13 + HD2 LYS 13 OK 49 50 100 99 2.1-4.2 3.6=66, 3.0/488=18...(86) HB3 LEU 14 + HD3 LYS 13 OK 27 48 85 66 3.1-5.8 520/3.0=9, ~245=7...(24) HB3 LEU 14 + HD2 LYS 13 OK 25 45 85 67 2.9-6.1 520/3.0=9, ~245=7...(24) HB2 GLU 17 - HD3 LYS 13 far 2 41 5 - 4.6-10.5 HB3 LYS 20 - HD3 LYS 24 far 2 40 5 - 4.4-8.9 HB2 GLU 17 - HD2 LYS 13 far 0 38 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 88 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 88 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 38 0 - 5.0-8.4 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 5.2-11.0 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 5.6-12.0 HB2 LYS 20 - HD3 LYS 24 far 0 31 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 30 0 - 6.2-9.8 HB ILE 8 - HD2 LYS 33 far 0 90 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 90 0 - 7.1-8.8 HG3 GLU 88 - HD2 LYS 13 far 0 36 0 - 8.5-13.2 HG3 GLU 88 - HD3 LYS 13 far 0 39 0 - 8.6-12.2 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 9.5-13.9 HB2 ARG 19 - HD2 LYS 13 far 0 37 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 41 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1482 from cnoeabs.peaks (1.92, 1.72, 28.64 ppm; 3.13 A): 10 out of 27 assignments used, quality = 1.00: HB3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 3.5-3.8 3.5=68, 3.0/1419=18...(52) * HB3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 3.6-4.2 3.5=68, 3.0/1419=18...(52) HB2 LYS 33 + HD2 LYS 33 OK 99 100 100 100 2.3-2.7 3.5=68, 3.0/1420=18...(51) HB2 LYS 33 + HD3 LYS 33 OK 99 100 100 100 2.6-3.7 3.5=68, 3.0/1420=18...(51) HB2 LYS 13 + HD3 LYS 13 OK 53 54 100 100 2.1-4.1 3.6=66, 3.0/488=17...(87) HB3 LYS 13 + HD3 LYS 13 OK 53 54 100 99 2.4-4.2 3.6=66, 3.0/488=17...(86) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.2-3.9 3.6=66, 3.0/488=18...(87) HB3 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.1-4.2 3.6=66, 3.0/488=18...(86) HB3 LEU 14 + HD3 LYS 13 OK 28 50 85 67 3.1-5.8 520/3.0=9, ~245=7...(24) HB3 LEU 14 + HD2 LYS 13 OK 26 46 85 67 2.9-6.1 520/3.0=9, ~245=7...(24) HB2 GLU 17 - HD3 LYS 13 far 2 39 5 - 4.6-10.5 HB3 LYS 20 - HD3 LYS 24 far 2 38 5 - 4.4-8.9 HB2 GLU 17 - HD2 LYS 13 far 0 36 0 - 4.9-10.0 HB VAL 32 - HD3 LYS 33 far 0 85 0 - 4.9-5.5 HB VAL 32 - HD2 LYS 33 far 0 85 0 - 5.0-7.1 HB3 LYS 20 - HD2 LYS 24 far 0 37 0 - 5.0-8.4 HB2 LYS 94 - HD2 LYS 24 far 0 43 0 - 5.2-11.0 HB2 LYS 94 - HD3 LYS 24 far 0 45 0 - 5.6-12.0 HB2 LYS 20 - HD3 LYS 24 far 0 33 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 31 0 - 6.2-9.8 HB ILE 8 - HD2 LYS 33 far 0 92 0 - 7.1-9.9 HB ILE 8 - HD3 LYS 33 far 0 92 0 - 7.1-8.8 HG3 GLU 88 - HD2 LYS 13 far 0 34 0 - 8.5-13.2 HG3 GLU 88 - HD3 LYS 13 far 0 37 0 - 8.6-12.2 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 9.5-13.9 HB2 ARG 19 - HD2 LYS 13 far 0 39 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 40 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1483 from cnoeabs.peaks (1.55, 1.72, 28.64 ppm; 2.70 A): 4 out of 16 assignments used, quality = 1.00: HG2 LYS 33 + HD2 LYS 33 OK 97 100 100 97 2.3-2.9 3.0=76, 1494/3.0=16...(43) * HG2 LYS 33 + HD3 LYS 33 OK 97 100 100 97 2.7-3.0 3.0=76, 1494/3.0=16...(43) HG2 LYS 24 + HD3 LYS 24 OK 21 22 100 96 2.2-2.9 3.0=77, 1.8/1464=7...(62) HG2 LYS 24 + HD2 LYS 24 OK 20 21 100 96 2.2-3.0 3.0=77, 1.8/1463=7...(62) HB2 LEU 14 - HD3 LYS 13 poor 17 39 85 50 2.9-6.2 245/3.0=7, 3.1/10404=5...(24) HB2 LEU 14 - HD2 LYS 13 poor 15 36 85 50 2.7-6.8 245/3.0=7, 3.1/10404=5...(24) HG3 LYS 90 - HD3 LYS 13 far 0 28 0 - 6.7-14.1 HG3 LYS 90 - HD2 LYS 13 far 0 26 0 - 6.9-13.4 HG3 LYS 90 - HD3 LYS 24 far 0 24 0 - 7.5-13.4 HG LEU 6 - HD3 LYS 33 far 0 88 0 - 7.5-11.9 HB ILE 7 - HD3 LYS 33 far 0 84 0 - 8.2-9.8 HG3 LYS 90 - HD2 LYS 24 far 0 23 0 - 8.6-13.7 HB ILE 7 - HD2 LYS 33 far 0 84 0 - 8.7-11.2 HG LEU 6 - HD2 LYS 33 far 0 88 0 - 8.8-13.4 HG3 ARG 30 - HD3 LYS 33 far 0 94 0 - 9.1-11.4 HG2 ARG 19 - HD3 LYS 13 far 0 27 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 1484 from cnoeabs.peaks (1.50, 1.72, 28.64 ppm; 2.65 A): 6 out of 15 assignments used, quality = 1.00: * HG3 LYS 33 + HD3 LYS 33 OK 95 100 100 95 2.2-2.6 3.0=72, 1495/3.0=14...(40) HG3 LYS 33 + HD2 LYS 33 OK 95 100 100 95 2.7-3.0 3.0=72, 1495/3.0=14...(40) HG3 LYS 13 + HD3 LYS 13 OK 50 53 100 95 2.4-3.0 3.0=72, 486/5.5=11...(43) HG3 LYS 13 + HD2 LYS 13 OK 46 49 100 95 2.4-3.0 3.0=72, 486/488=11...(43) HG3 LYS 24 + HD3 LYS 24 OK 43 46 100 96 2.6-3.0 3.0=72, 1096/4.9=14...(55) HG3 LYS 24 + HD2 LYS 24 OK 41 43 100 96 2.2-3.0 3.0=72, 1096/4.9=14...(55) HB2 LEU 14 - HD3 LYS 13 poor 19 46 85 49 2.9-6.2 245/3.0=8, 3.1/10404=4...(23) HB2 LEU 14 - HD2 LYS 13 poor 18 43 85 49 2.7-6.8 245/3.0=8, 3.1/10404=4...(23) HG LEU 6 - HD3 LYS 33 far 0 91 0 - 7.5-11.9 HB ILE 7 - HD3 LYS 33 far 0 94 0 - 8.2-9.8 HB ILE 7 - HD2 LYS 33 far 0 94 0 - 8.7-11.2 HG LEU 6 - HD2 LYS 33 far 0 91 0 - 8.8-13.4 HG3 ARG 30 - HD3 LYS 33 far 0 84 0 - 9.1-11.4 HD3 LYS 40 - HD3 LYS 33 far 0 59 0 - 9.6-13.1 HG3 LYS 66 - HD3 LYS 33 far 0 99 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1485 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 43 43 - 100 HD2 LYS 13 + HD2 LYS 13 OK 38 38 - 100 HD3 LYS 24 + HD3 LYS 24 OK 31 31 - 100 HD2 LYS 24 + HD2 LYS 24 OK 29 29 - 100 Reference assignment not found: HD2 LYS 33 - HD3 LYS 33 Peak 1486 from cnoeabs.peaks (1.72, 1.72, 28.64 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD3 LYS 33 + HD3 LYS 33 OK 100 100 - 100 HD2 LYS 33 + HD2 LYS 33 OK 100 100 - 100 HD3 LYS 13 + HD3 LYS 13 OK 43 43 - 100 HD2 LYS 13 + HD2 LYS 13 OK 38 38 - 100 HD3 LYS 24 + HD3 LYS 24 OK 31 31 - 100 HD2 LYS 24 + HD2 LYS 24 OK 29 29 - 100 Peak 1487 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.14 A): 4 out of 14 assignments used, quality = 1.00: * HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-2.9 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 poor 18 39 100 47 2.3-3.8 423/3.0=15, ~8363=8...(11) HB3 ASP 11 - HD2 LYS 13 poor 16 36 95 47 2.4-4.7 423/3.0=15, ~8363=8...(11) HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.0-11.4 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 6.5-8.8 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 7.1-12.0 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 7.5-9.8 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 7.6-10.6 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 1488 from cnoeabs.peaks (3.02, 1.72, 28.64 ppm; 3.14 A): 4 out of 14 assignments used, quality = 1.00: HE2 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.3-2.9 3.0=100 HE2 LYS 33 + HD2 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 * HE3 LYS 33 + HD3 LYS 33 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ASP 11 - HD3 LYS 13 poor 18 39 100 47 2.3-3.8 423/3.0=15, ~8363=8...(11) HB3 ASP 11 - HD2 LYS 13 poor 16 36 95 47 2.4-4.7 423/3.0=15, ~8363=8...(11) HE2 LYS 12 - HD2 LYS 33 far 0 98 0 - 6.0-11.4 HB2 SER 9 - HD2 LYS 13 far 0 33 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 36 0 - 6.5-8.8 HE2 LYS 12 - HD3 LYS 33 far 0 98 0 - 7.1-12.0 HB2 SER 9 - HD2 LYS 33 far 0 79 0 - 7.5-9.8 HB2 SER 9 - HD3 LYS 33 far 0 79 0 - 7.6-10.6 HE2 LYS 12 - HD3 LYS 13 far 0 50 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 46 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 1489 from cnoeabs.peaks (7.25, 1.72, 28.64 ppm; 6.10 A): 2 out of 2 assignments used, quality = 1.00: H THR 34 + HD2 LYS 33 OK 100 100 100 100 4.7-6.0 6535/3.0=96, 6534/3.0=95...(10) * H THR 34 + HD3 LYS 33 OK 100 100 100 100 4.7-5.4 6535/3.0=96, 6534/3.0=95...(10) Violated in 0 structures by 0.00 A. Peak 1490 from cnoeabs.peaks (9.30, 3.02, 41.80 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: H LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.4-5.9 6523/3.9=82, 6522/3.9=81...(17) * H LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.7-5.7 6523/3.9=82, 6522/3.9=81...(18) Violated in 0 structures by 0.00 A. Peak 1491 from cnoeabs.peaks (4.53, 3.02, 41.80 ppm; 4.86 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 33 + HE2 LYS 33 OK 100 100 100 100 4.4-5.2 1418/3.9=76, 1417/3.9=73...(35) HA LYS 33 + HE3 LYS 33 OK 100 100 100 100 4.6-5.1 1418/3.9=76, 1417/3.9=73...(35) HA LYS 33 - HE2 LYS 12 far 0 95 0 - 8.9-13.5 Violated in 0 structures by 0.00 A. Peak 1492 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.94 A): 4 out of 16 assignments used, quality = 1.00: * HB2 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=56, 3.0/1422=26...(52) HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=56, 3.0/1421=26...(52) HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=56, 3.0/1422=26...(51) HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=56, 3.0/1421=26...(51) HB VAL 32 - HE2 LYS 33 poor 8 88 30 32 4.9-7.9 4.4/1501=15, 1415/1421=7...(5) HB VAL 32 - HE3 LYS 33 far 0 88 0 - 5.5-7.7 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.1-10.0 HB ILE 8 - HE2 LYS 33 far 0 90 0 - 7.9-10.8 HB3 LEU 14 - HE2 LYS 12 far 0 88 0 - 7.9-10.4 HB2 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.1-12.9 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 8.3-11.0 HB2 ARG 19 - HE2 LYS 12 far 0 76 0 - 8.4-12.1 HB3 ARG 19 - HE2 LYS 12 far 0 91 0 - 8.6-12.9 HB ILE 8 - HE3 LYS 33 far 0 90 0 - 9.1-10.8 HB3 LYS 33 - HE2 LYS 12 far 0 94 0 - 9.6-14.5 HB2 ARG 19 - HE2 LYS 33 far 0 85 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1493 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.94 A): 4 out of 16 assignments used, quality = 1.00: HB2 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=56, 3.0/1422=26...(52) HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=56, 3.0/1421=26...(52) * HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=56, 3.0/1422=26...(51) HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=56, 3.0/1421=26...(51) HB VAL 32 - HE2 LYS 33 poor 8 85 30 32 4.9-7.9 4.4/1501=15, 1415/1421=7...(5) HB VAL 32 - HE3 LYS 33 far 0 85 0 - 5.5-7.7 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.1-10.0 HB ILE 8 - HE2 LYS 33 far 0 92 0 - 7.9-10.8 HB3 LEU 14 - HE2 LYS 12 far 0 90 0 - 7.9-10.4 HB2 LYS 33 - HE2 LYS 12 far 0 94 0 - 8.1-12.9 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 8.3-11.0 HB2 ARG 19 - HE2 LYS 12 far 0 79 0 - 8.4-12.1 HB3 ARG 19 - HE2 LYS 12 far 0 89 0 - 8.6-12.9 HB ILE 8 - HE3 LYS 33 far 0 92 0 - 9.1-10.8 HB3 LYS 33 - HE2 LYS 12 far 0 95 0 - 9.6-14.5 HB2 ARG 19 - HE2 LYS 33 far 0 88 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1494 from cnoeabs.peaks (1.55, 3.02, 41.80 ppm; 3.52 A): 2 out of 14 assignments used, quality = 1.00: HG2 LYS 33 + HE3 LYS 33 OK 98 100 100 98 2.0-3.5 3.9=71, 1483/3.0=25...(38) * HG2 LYS 33 + HE2 LYS 33 OK 98 100 100 98 2.1-3.9 3.9=71, 1483/3.0=25...(38) HB ILE 7 - HE2 LYS 33 far 0 84 0 - 7.3-11.0 HG2 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.0-13.1 HG3 ARG 30 - HE2 LYS 33 far 0 94 0 - 8.2-12.7 HG3 ARG 30 - HE3 LYS 33 far 0 94 0 - 8.5-12.9 HB ILE 7 - HE3 LYS 33 far 0 84 0 - 8.7-11.5 HG2 ARG 19 - HE2 LYS 33 far 0 63 0 - 9.0-14.2 HG2 ARG 19 - HE2 LYS 12 far 0 55 0 - 9.5-12.9 HB ILE 7 - HE2 LYS 12 far 0 75 0 - 9.6-12.6 HB2 LEU 14 - HE2 LYS 12 far 0 75 0 - 9.6-12.0 HG LEU 6 - HE3 LYS 33 far 0 88 0 - 9.7-13.2 HG LEU 6 - HE2 LYS 33 far 0 88 0 - 9.7-14.0 HG2 ARG 19 - HE3 LYS 33 far 0 63 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1495 from cnoeabs.peaks (1.50, 3.02, 41.80 ppm; 3.63 A): 2 out of 14 assignments used, quality = 1.00: HG3 LYS 33 + HE3 LYS 33 OK 97 100 100 97 2.1-4.2 3.9=78, 1418/1422=20...(29) * HG3 LYS 33 + HE2 LYS 33 OK 97 100 100 97 2.9-3.9 3.9=78, 1418/1422=20...(29) HB ILE 7 - HE2 LYS 33 far 0 94 0 - 7.3-11.0 HG3 LYS 13 - HE2 LYS 12 far 0 93 0 - 8.1-10.3 HG3 ARG 30 - HE2 LYS 33 far 0 84 0 - 8.2-12.7 HG3 ARG 30 - HE3 LYS 33 far 0 84 0 - 8.5-12.9 HD3 LYS 40 - HE3 LYS 33 far 0 59 0 - 8.6-14.0 HB ILE 7 - HE3 LYS 33 far 0 94 0 - 8.7-11.5 HG3 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.8-13.8 HB ILE 7 - HE2 LYS 12 far 0 85 0 - 9.6-12.6 HB2 LEU 14 - HE2 LYS 12 far 0 85 0 - 9.6-12.0 HG LEU 6 - HE3 LYS 33 far 0 91 0 - 9.7-13.2 HG LEU 6 - HE2 LYS 33 far 0 91 0 - 9.7-14.0 HD3 LYS 40 - HE2 LYS 33 far 0 59 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 1496 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1483/3.9=11...(18) HD3 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1483/3.9=11...(17) HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.3-2.9 3.0=86, 1472/3.9=11...(17) * HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1472/3.9=11...(17) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(53) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.5-3.0 3.0=83, 3.0/463=28...(53) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 4.7-6.7 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 5.8-9.1 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.9-12.8 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.0-11.4 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.5-11.2 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.8-10.6 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.9-12.0 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.1-12.0 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 7.1-10.3 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.5-10.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 7.5-10.6 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 7.7-10.4 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 8.0-13.2 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 8.1-13.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.8-11.6 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 8.8-11.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 1497 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: * HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1483/3.9=11...(18) HD3 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1483/3.9=11...(17) HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.3-2.9 3.0=86, 1472/3.9=11...(17) HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1472/3.9=11...(17) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(53) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.5-3.0 3.0=83, 3.0/463=28...(53) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 4.7-6.7 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 5.8-9.1 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.9-12.8 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.0-11.4 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.5-11.2 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.8-10.6 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.9-12.0 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.1-12.0 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 7.1-10.3 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.5-10.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 7.5-10.6 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 7.7-10.4 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 8.0-13.2 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 8.1-13.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.8-11.6 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 8.8-11.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 1498 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 * HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 HE2 LYS 12 + HE2 LYS 12 OK 90 90 - 100 Peak 1499 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 HE2 LYS 12 + HE2 LYS 12 OK 90 90 - 100 Reference assignment not found: HE3 LYS 33 - HE2 LYS 33 Peak 1501 from cnoeabs.peaks (9.30, 3.02, 41.80 ppm; 5.32 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.4-5.9 6523/3.9=82, 6522/3.9=81...(17) H LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.7-5.7 6523/3.9=82, 6522/3.9=81...(18) Violated in 0 structures by 0.00 A. Peak 1502 from cnoeabs.peaks (4.53, 3.02, 41.80 ppm; 4.86 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 33 + HE2 LYS 33 OK 100 100 100 100 4.4-5.2 1418/3.9=76, 1417/3.9=73...(35) * HA LYS 33 + HE3 LYS 33 OK 100 100 100 100 4.6-5.1 1418/3.9=76, 1417/3.9=73...(35) HA LYS 33 - HE2 LYS 12 far 0 95 0 - 8.9-13.5 Violated in 0 structures by 0.00 A. Peak 1503 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.94 A): 4 out of 16 assignments used, quality = 1.00: HB2 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=56, 3.0/1422=26...(52) * HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=56, 3.0/1421=26...(52) HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=56, 3.0/1422=26...(51) HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=56, 3.0/1421=26...(51) HB VAL 32 - HE2 LYS 33 poor 8 88 30 32 4.9-7.9 4.4/1501=15, 1415/1421=7...(5) HB VAL 32 - HE3 LYS 33 far 0 88 0 - 5.5-7.7 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.1-10.0 HB ILE 8 - HE2 LYS 33 far 0 90 0 - 7.9-10.8 HB3 LEU 14 - HE2 LYS 12 far 0 88 0 - 7.9-10.4 HB2 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.1-12.9 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 8.3-11.0 HB2 ARG 19 - HE2 LYS 12 far 0 76 0 - 8.4-12.1 HB3 ARG 19 - HE2 LYS 12 far 0 91 0 - 8.6-12.9 HB ILE 8 - HE3 LYS 33 far 0 90 0 - 9.1-10.8 HB3 LYS 33 - HE2 LYS 12 far 0 94 0 - 9.6-14.5 HB2 ARG 19 - HE2 LYS 33 far 0 85 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1504 from cnoeabs.peaks (1.92, 3.02, 41.80 ppm; 3.94 A): 4 out of 16 assignments used, quality = 1.00: HB2 LYS 33 + HE2 LYS 33 OK 100 100 100 100 2.6-4.7 4.8=56, 3.0/1422=26...(52) HB2 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.0-4.4 4.8=56, 3.0/1421=26...(52) HB3 LYS 33 + HE2 LYS 33 OK 100 100 100 100 3.7-5.3 4.8=56, 3.0/1422=26...(51) * HB3 LYS 33 + HE3 LYS 33 OK 100 100 100 100 3.9-5.3 4.8=56, 3.0/1421=26...(51) HB VAL 32 - HE2 LYS 33 poor 8 85 30 32 4.9-7.9 4.4/1501=15, 1415/1421=7...(5) HB VAL 32 - HE3 LYS 33 far 0 85 0 - 5.5-7.7 HB3 LYS 13 - HE2 LYS 12 far 0 94 0 - 7.1-10.0 HB ILE 8 - HE2 LYS 33 far 0 92 0 - 7.9-10.8 HB3 LEU 14 - HE2 LYS 12 far 0 90 0 - 7.9-10.4 HB2 LYS 33 - HE2 LYS 12 far 0 94 0 - 8.1-12.9 HB2 LYS 13 - HE2 LYS 12 far 0 94 0 - 8.3-11.0 HB2 ARG 19 - HE2 LYS 12 far 0 79 0 - 8.4-12.1 HB3 ARG 19 - HE2 LYS 12 far 0 89 0 - 8.6-12.9 HB ILE 8 - HE3 LYS 33 far 0 92 0 - 9.1-10.8 HB3 LYS 33 - HE2 LYS 12 far 0 95 0 - 9.6-14.5 HB2 ARG 19 - HE2 LYS 33 far 0 88 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1505 from cnoeabs.peaks (1.55, 3.02, 41.80 ppm; 3.52 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 33 + HE3 LYS 33 OK 98 100 100 98 2.0-3.5 3.9=71, 1483/3.0=25...(38) HG2 LYS 33 + HE2 LYS 33 OK 98 100 100 98 2.1-3.9 3.9=71, 1483/3.0=25...(38) HB ILE 7 - HE2 LYS 33 far 0 84 0 - 7.3-11.0 HG2 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.0-13.1 HG3 ARG 30 - HE2 LYS 33 far 0 94 0 - 8.2-12.7 HG3 ARG 30 - HE3 LYS 33 far 0 94 0 - 8.5-12.9 HB ILE 7 - HE3 LYS 33 far 0 84 0 - 8.7-11.5 HG2 ARG 19 - HE2 LYS 33 far 0 63 0 - 9.0-14.2 HG2 ARG 19 - HE2 LYS 12 far 0 55 0 - 9.5-12.9 HB ILE 7 - HE2 LYS 12 far 0 75 0 - 9.6-12.6 HB2 LEU 14 - HE2 LYS 12 far 0 75 0 - 9.6-12.0 HG LEU 6 - HE3 LYS 33 far 0 88 0 - 9.7-13.2 HG LEU 6 - HE2 LYS 33 far 0 88 0 - 9.7-14.0 HG2 ARG 19 - HE3 LYS 33 far 0 63 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 1506 from cnoeabs.peaks (1.50, 3.02, 41.80 ppm; 3.63 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 33 + HE3 LYS 33 OK 97 100 100 97 2.1-4.2 3.9=78, 1418/1422=20...(29) HG3 LYS 33 + HE2 LYS 33 OK 97 100 100 97 2.9-3.9 3.9=78, 1418/1422=20...(29) HB ILE 7 - HE2 LYS 33 far 0 94 0 - 7.3-11.0 HG3 LYS 13 - HE2 LYS 12 far 0 93 0 - 8.1-10.3 HG3 ARG 30 - HE2 LYS 33 far 0 84 0 - 8.2-12.7 HG3 ARG 30 - HE3 LYS 33 far 0 84 0 - 8.5-12.9 HD3 LYS 40 - HE3 LYS 33 far 0 59 0 - 8.6-14.0 HB ILE 7 - HE3 LYS 33 far 0 94 0 - 8.7-11.5 HG3 LYS 33 - HE2 LYS 12 far 0 95 0 - 8.8-13.8 HB ILE 7 - HE2 LYS 12 far 0 85 0 - 9.6-12.6 HB2 LEU 14 - HE2 LYS 12 far 0 85 0 - 9.6-12.0 HG LEU 6 - HE3 LYS 33 far 0 91 0 - 9.7-13.2 HG LEU 6 - HE2 LYS 33 far 0 91 0 - 9.7-14.0 HD3 LYS 40 - HE2 LYS 33 far 0 59 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 1507 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1483/3.9=11...(18) HD3 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1483/3.9=11...(17) * HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.3-2.9 3.0=86, 1472/3.9=11...(17) HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1472/3.9=11...(17) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(53) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.5-3.0 3.0=83, 3.0/463=28...(53) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 4.7-6.7 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 5.8-9.1 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.9-12.8 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.0-11.4 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.5-11.2 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.8-10.6 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.9-12.0 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.1-12.0 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 7.1-10.3 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.5-10.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 7.5-10.6 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 7.7-10.4 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 8.0-13.2 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 8.1-13.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.8-11.6 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 8.8-11.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 1508 from cnoeabs.peaks (1.72, 3.02, 41.80 ppm; 2.80 A): 6 out of 23 assignments used, quality = 1.00: HD3 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.2-3.0 3.0=86, 1483/3.9=11...(18) * HD3 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1483/3.9=11...(17) HD2 LYS 33 + HE3 LYS 33 OK 93 100 100 93 2.3-2.9 3.0=86, 1472/3.9=11...(17) HD2 LYS 33 + HE2 LYS 33 OK 93 100 100 93 2.4-3.0 3.0=86, 1472/3.9=11...(17) HD2 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.3-3.0 3.0=83, 3.0/463=28...(53) HD3 LYS 12 + HE2 LYS 12 OK 75 78 100 97 2.5-3.0 3.0=83, 3.0/463=28...(53) HB ILE 15 - HE2 LYS 12 far 0 94 0 - 4.7-6.7 HG12 ILE 15 - HE2 LYS 12 far 0 66 0 - 5.8-9.1 HD3 LYS 12 - HE3 LYS 33 far 0 87 0 - 5.9-12.8 HD2 LYS 33 - HE2 LYS 12 far 0 95 0 - 6.0-11.4 HD2 LYS 12 - HE3 LYS 33 far 0 87 0 - 6.5-11.2 HD2 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.8-10.6 HD3 LYS 12 - HE2 LYS 33 far 0 87 0 - 6.9-12.0 HD3 LYS 33 - HE2 LYS 12 far 0 95 0 - 7.1-12.0 HG12 ILE 15 - HE2 LYS 33 far 0 75 0 - 7.1-10.3 HB ILE 15 - HE2 LYS 33 far 0 100 0 - 7.5-10.0 HG12 ILE 15 - HE3 LYS 33 far 0 75 0 - 7.5-10.6 HB ILE 15 - HE3 LYS 33 far 0 100 0 - 7.7-10.4 HG3 ARG 19 - HE2 LYS 12 far 0 57 0 - 8.0-13.2 HG3 ARG 19 - HE2 LYS 33 far 0 65 0 - 8.1-13.9 HD3 LYS 13 - HE2 LYS 12 far 0 81 0 - 8.8-11.6 HD2 LYS 13 - HE2 LYS 12 far 0 78 0 - 8.8-11.4 HG3 ARG 19 - HE3 LYS 33 far 0 65 0 - 9.4-13.4 Violated in 0 structures by 0.00 A. Peak 1509 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 HE2 LYS 12 + HE2 LYS 12 OK 90 90 - 100 Reference assignment not found: HE2 LYS 33 - HE3 LYS 33 Peak 1510 from cnoeabs.peaks (3.02, 3.02, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 33 + HE3 LYS 33 OK 100 100 - 100 HE2 LYS 33 + HE2 LYS 33 OK 100 100 - 100 HE2 LYS 12 + HE2 LYS 12 OK 90 90 - 100 Peak 1513 from cnoeabs.peaks (4.78, 4.78, 58.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 34 + HA THR 34 OK 100 100 - 100 Peak 1515 from cnoeabs.peaks (1.17, 4.78, 58.86 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 34 + HA THR 34 OK 100 100 100 100 2.6-2.9 3.2=100 QG2 THR 31 - HA THR 34 far 0 70 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 1516 from cnoeabs.peaks (9.17, 4.78, 58.86 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + HA THR 34 OK 100 100 100 100 2.3-2.8 3.6=100 Violated in 0 structures by 0.00 A. Peak 1517 from cnoeabs.peaks (7.25, 4.59, 73.02 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + HB THR 34 OK 100 100 100 100 3.8-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 1518 from cnoeabs.peaks (4.78, 4.59, 73.02 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 34 + HB THR 34 OK 100 100 100 100 2.2-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 1519 from cnoeabs.peaks (4.59, 4.59, 73.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 34 + HB THR 34 OK 100 100 - 100 Peak 1520 from cnoeabs.peaks (1.17, 4.59, 73.02 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 34 + HB THR 34 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 1521 from cnoeabs.peaks (9.17, 4.59, 73.02 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + HB THR 34 OK 100 100 100 100 2.1-2.9 6547=100, 6546/3.0=64...(10) Violated in 0 structures by 0.00 A. Peak 1522 from cnoeabs.peaks (7.25, 1.17, 21.62 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H THR 34 + QG2 THR 34 OK 100 100 100 100 2.2-2.7 6542=100, 3.0/1523=66...(19) Violated in 0 structures by 0.00 A. Peak 1523 from cnoeabs.peaks (4.78, 1.17, 21.62 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.94: * HA THR 34 + QG2 THR 34 OK 94 100 100 94 2.6-2.9 3.2=83, 3.0/6542=42...(4) Violated in 0 structures by 0.00 A. Peak 1524 from cnoeabs.peaks (4.59, 1.17, 21.62 ppm; 2.96 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 34 + QG2 THR 34 OK 100 100 100 100 2.1-2.1 2.1=100 HA ILE 8 - QG2 THR 34 far 0 96 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 1525 from cnoeabs.peaks (1.17, 1.17, 21.62 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 34 + QG2 THR 34 OK 100 100 - 100 Peak 1526 from cnoeabs.peaks (9.17, 1.17, 21.62 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + QG2 THR 34 OK 100 100 100 100 3.7-4.1 6548=100, 6547/2.1=87...(11) Violated in 0 structures by 0.00 A. Peak 1527 from cnoeabs.peaks (9.17, 3.89, 59.23 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + HA GLU 35 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1528 from cnoeabs.peaks (3.89, 3.89, 59.23 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 35 + HA GLU 35 OK 100 100 - 100 HA ARG 91 + HA ARG 91 OK 100 100 - 100 HA GLU 43 + HA GLU 43 OK 98 98 - 100 HA LYS 40 + HA LYS 40 OK 49 49 - 100 Peak 1529 from cnoeabs.peaks (2.01, 3.89, 59.23 ppm; 2.97 A): 3 out of 19 assignments used, quality = 1.00: * HB2 GLU 35 + HA GLU 35 OK 100 100 100 100 2.5-3.0 3.0=96, 6550/3.0=38...(29) QE MET 74 + HA GLU 43 OK 83 97 95 89 3.1-4.8 9585/2.9=35...(18) HB2 ARG 46 + HA GLU 43 OK 51 67 95 79 2.4-4.5 3.6/10171=23...(13) QE MET 74 - HA LYS 40 poor 18 61 45 66 3.5-5.3 9610=19, 9585/6692=15...(17) HB3 LYS 94 - HA ARG 91 poor 18 95 30 62 2.8-5.7 1.8/4184=21, 4.0/7502=14...(11) HB2 GLU 44 - HA LYS 40 far 0 60 0 - 4.8-7.7 HB2 LYS 47 - HA GLU 43 far 0 55 0 - 5.1-8.4 HB2 GLU 37 - HA GLU 35 far 0 77 0 - 5.5-7.2 HB3 GLU 44 - HA GLU 43 far 0 97 0 - 5.6-6.6 HB2 GLU 44 - HA GLU 43 far 0 97 0 - 5.6-6.6 HB3 GLU 44 - HA LYS 40 far 0 60 0 - 5.8-8.2 QE MET 74 - HA GLU 35 far 0 100 0 - 6.4-8.3 HG12 ILE 93 - HA ARG 91 far 0 76 0 - 6.6-7.9 HB2 GLU 37 - HA LYS 40 far 0 40 0 - 7.2-7.8 HB3 GLU 17 - HA ARG 91 far 0 100 0 - 7.2-9.4 HB2 ARG 46 - HA LYS 40 far 0 37 0 - 7.5-9.6 HB2 LYS 47 - HA LYS 40 far 0 30 0 - 8.1-12.3 HB2 GLU 98 - HA ARG 91 far 0 62 0 - 8.7-10.8 HB2 GLU 62 - HA GLU 35 far 0 99 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 1530 from cnoeabs.peaks (2.08, 3.89, 59.23 ppm; 2.96 A): 5 out of 21 assignments used, quality = 1.00: * HB3 GLU 35 + HA GLU 35 OK 100 100 100 100 2.2-3.0 3.0=95, 1541/3.0=33...(32) HB3 GLU 43 + HA GLU 43 OK 91 92 100 100 2.5-3.0 3.0=95, 6694/2.9=42...(35) HB3 LEU 38 + HA GLU 35 OK 51 99 65 79 2.8-4.8 1634/12057=26, 1635=18...(23) HB3 GLU 43 + HA LYS 40 OK 42 55 100 76 2.4-4.1 1.8/1961=24, 1969=24...(14) QE MET 21 + HA ARG 91 OK 40 93 75 57 3.9-5.1 8539/3.0=17, 8543/9956=9...(15) HB2 MET 74 - HA GLU 43 poor 13 90 55 26 3.6-5.5 4.2/9610=11, 2.9/4019=5...(5) HG3 GLU 104 - HA ARG 91 far 5 94 5 - 4.3-19.0 HG3 GLU 37 - HA GLU 35 far 0 79 0 - 4.5-6.3 HB2 MET 21 - HA ARG 91 far 0 76 0 - 5.4-7.2 HB2 MET 74 - HA LYS 40 far 0 53 0 - 6.8-8.7 HB3 LEU 38 - HA LYS 40 far 0 60 0 - 7.3-8.4 HB3 GLU 48 - HA GLU 43 far 0 67 0 - 7.6-10.8 HG3 GLU 37 - HA LYS 40 far 0 42 0 - 7.8-9.0 HB3 PRO 86 - HA ARG 91 far 0 85 0 - 8.1-8.6 HB3 GLU 88 - HA ARG 91 far 0 99 0 - 8.2-8.4 HB2 GLU 98 - HA ARG 91 far 0 64 0 - 8.7-10.8 HB3 LEU 38 - HA GLU 43 far 0 97 0 - 8.8-11.5 HB3 GLU 62 - HA GLU 35 far 0 99 0 - 9.2-11.4 HB3 GLU 35 - HA LYS 40 far 0 62 0 - 9.5-11.1 HB VAL 83 - HA ARG 91 far 0 72 0 - 9.5-10.0 HB2 PRO 86 - HA ARG 91 far 0 58 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 1531 from cnoeabs.peaks (2.20, 3.89, 59.23 ppm; 3.17 A): 4 out of 16 assignments used, quality = 1.00: HG3 GLU 35 + HA GLU 35 OK 99 100 100 99 2.3-4.2 4.1=47, 2.9/4023=25...(34) * HG2 GLU 35 + HA GLU 35 OK 99 100 100 99 2.8-3.8 4.1=47, 2.9/4023=25...(33) HG2 GLU 43 + HA GLU 43 OK 95 97 100 99 2.4-3.8 3.7=64, 6695/2.9=40...(23) HG2 GLU 43 + HA LYS 40 OK 51 60 100 85 2.0-4.4 1.8/1985=22, 1978=21...(19) HB2 GLU 95 - HA ARG 91 far 0 99 0 - 4.9-7.0 HB2 GLU 63 - HA GLU 35 far 0 100 0 - 6.3-7.9 HB3 GLU 95 - HA ARG 91 far 0 60 0 - 6.5-8.6 HG3 GLU 75 - HA GLU 43 far 0 85 0 - 7.5-10.3 HG3 GLU 35 - HA LYS 40 far 0 62 0 - 8.2-10.8 HG2 GLU 35 - HA LYS 40 far 0 62 0 - 8.2-10.1 HG2 GLU 75 - HA GLU 43 far 0 82 0 - 8.4-11.6 HG3 PRO 86 - HA ARG 91 far 0 100 0 - 8.9-9.4 HB3 GLU 75 - HA GLU 43 far 0 97 0 - 8.9-10.4 HG2 GLU 98 - HA ARG 91 far 0 92 0 - 9.5-11.0 HG2 GLU 43 - HA GLU 35 far 0 99 0 - 9.6-10.9 HG2 GLU 99 - HA ARG 91 far 0 84 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 1532 from cnoeabs.peaks (2.20, 3.89, 59.23 ppm; 3.17 A): 4 out of 16 assignments used, quality = 1.00: * HG3 GLU 35 + HA GLU 35 OK 99 100 100 99 2.3-4.2 4.1=47, 2.9/4023=25...(34) HG2 GLU 35 + HA GLU 35 OK 99 100 100 99 2.8-3.8 4.1=47, 2.9/4023=25...(33) HG2 GLU 43 + HA GLU 43 OK 95 97 100 99 2.4-3.8 3.7=64, 6695/2.9=40...(23) HG2 GLU 43 + HA LYS 40 OK 51 60 100 85 2.0-4.4 1.8/1985=22, 1978=21...(19) HB2 GLU 95 - HA ARG 91 far 0 99 0 - 4.9-7.0 HB2 GLU 63 - HA GLU 35 far 0 100 0 - 6.3-7.9 HB3 GLU 95 - HA ARG 91 far 0 60 0 - 6.5-8.6 HG3 GLU 75 - HA GLU 43 far 0 85 0 - 7.5-10.3 HG3 GLU 35 - HA LYS 40 far 0 62 0 - 8.2-10.8 HG2 GLU 35 - HA LYS 40 far 0 62 0 - 8.2-10.1 HG2 GLU 75 - HA GLU 43 far 0 82 0 - 8.4-11.6 HG3 PRO 86 - HA ARG 91 far 0 100 0 - 8.9-9.4 HB3 GLU 75 - HA GLU 43 far 0 97 0 - 8.9-10.4 HG2 GLU 98 - HA ARG 91 far 0 92 0 - 9.5-11.0 HG2 GLU 43 - HA GLU 35 far 0 99 0 - 9.6-10.9 HG2 GLU 99 - HA ARG 91 far 0 84 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 1533 from cnoeabs.peaks (8.19, 3.89, 59.23 ppm; 3.53 A): 3 out of 9 assignments used, quality = 1.00: * H ASP 36 + HA GLU 35 OK 100 100 100 100 3.5-3.6 3.6=97, 6558/3.0=55...(22) H GLU 43 + HA GLU 43 OK 97 97 100 100 2.7-2.8 2.9=100 H GLU 43 + HA LYS 40 OK 58 60 100 96 3.2-3.7 6692=47, 10610/3.0=34...(18) H PHE 96 - HA ARG 91 far 0 81 0 - 6.5-7.2 H GLU 104 - HA ARG 91 far 0 74 0 - 7.0-17.8 H LYS 68 - HA GLU 35 far 0 100 0 - 7.1-7.8 H SER 97 - HA ARG 91 far 0 74 0 - 7.9-8.8 H ASP 36 - HA LYS 40 far 0 62 0 - 8.0-9.0 H GLU 43 - HA GLU 35 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1534 from cnoeabs.peaks (9.17, 2.01, 29.38 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.1-2.7 6550=100, 1541/1.8=73...(20) Violated in 0 structures by 0.00 A. Peak 1535 from cnoeabs.peaks (3.89, 2.01, 29.38 ppm; 3.39 A): 1 out of 13 assignments used, quality = 1.00: * HA GLU 35 + HB2 GLU 35 OK 100 100 100 100 2.5-3.0 3.0=100 HA2 GLY 100 - HB3 GLU 99 poor 9 47 20 - 4.3-6.2 HA3 GLY 101 - HB3 GLU 99 far 3 56 5 - 4.6-7.8 HA2 GLY 101 - HB3 GLU 99 far 2 47 5 - 4.1-7.8 HB2 SER 102 - HB3 GLU 99 lone 1 56 50 2 2.1-9.6 4.0/12267=2 HA ALA 67 - HB2 GLU 35 far 0 71 0 - 5.4-7.4 HA GLU 63 - HB2 GLU 35 far 0 82 0 - 6.1-8.4 HA ALA 89 - HB3 GLU 17 far 0 59 0 - 6.7-8.8 HA ARG 91 - HB3 GLU 17 far 0 64 0 - 7.2-9.4 HA LYS 94 - HB3 GLU 99 far 0 47 0 - 7.3-9.8 HA LEU 38 - HB2 GLU 35 far 0 98 0 - 7.4-8.7 HB2 SER 85 - HB3 GLU 17 far 0 57 0 - 7.7-10.6 HA LYS 12 - HB3 GLU 17 far 0 40 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. Peak 1536 from cnoeabs.peaks (2.01, 2.01, 29.38 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 35 + HB2 GLU 35 OK 100 100 - 100 HB3 GLU 17 + HB3 GLU 17 OK 64 64 - 100 HB3 GLU 99 + HB3 GLU 99 OK 37 37 - 100 Peak 1537 from cnoeabs.peaks (2.08, 2.01, 29.38 ppm; 2.40 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLU 35 + HB2 GLU 35 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 99 + HB3 GLU 99 OK 29 29 100 100 1.8-1.8 1.8=100 HB3 PRO 86 - HB3 GLU 17 poor 8 49 80 21 2.1-4.5 ~12333=5, ~737=4...(9) HB2 PRO 86 - HB3 GLU 17 poor 8 31 25 - 2.6-5.1 HB2 GLU 98 - HB3 GLU 99 far 2 31 5 - 3.7-5.4 HB2 GLU 16 - HB3 GLU 17 far 0 64 0 - 4.8-6.7 HB3 GLU 98 - HB3 GLU 99 far 0 29 0 - 5.1-6.5 HB3 LEU 38 - HB2 GLU 35 far 0 99 0 - 5.4-7.3 HB2 MET 21 - HB3 GLU 17 far 0 42 0 - 5.6-7.3 HG3 GLU 37 - HB2 GLU 35 far 0 79 0 - 6.0-7.5 QE MET 21 - HB3 GLU 17 far 0 56 0 - 6.2-7.7 HG3 GLU 104 - HB3 GLU 99 far 0 50 0 - 7.2-12.1 HB3 GLU 88 - HB3 GLU 17 far 0 64 0 - 8.3-10.5 HB3 GLU 62 - HB2 GLU 35 far 0 99 0 - 8.5-11.3 HB VAL 83 - HB3 GLU 17 far 0 40 0 - 8.7-11.0 QE MET 21 - HB3 GLU 99 far 0 49 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 1538 from cnoeabs.peaks (2.20, 2.01, 29.38 ppm; 2.61 A): 3 out of 10 assignments used, quality = 1.00: HG3 GLU 35 + HB2 GLU 35 OK 95 100 100 95 2.5-3.0 2.9=70, 1558/1.8=24...(23) * HG2 GLU 35 + HB2 GLU 35 OK 95 100 100 95 2.4-3.0 2.9=70, 1551/1.8=24...(23) HG2 GLU 99 + HB3 GLU 99 OK 37 43 100 88 2.3-3.0 3.0=68, 4402/3.0=18...(15) HB3 GLU 95 - HB3 GLU 99 poor 7 28 25 - 3.5-5.8 HG3 PRO 86 - HB3 GLU 17 far 0 64 0 - 4.4-6.6 HB3 GLU 16 - HB3 GLU 17 far 0 41 0 - 4.9-7.0 HB2 GLU 95 - HB3 GLU 99 far 0 56 0 - 5.2-7.5 HG2 GLU 98 - HB3 GLU 99 far 0 48 0 - 6.6-8.1 HB2 GLU 63 - HB2 GLU 35 far 0 100 0 - 7.7-9.8 HG2 MET 1 - HB3 GLU 99 far 0 57 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 1539 from cnoeabs.peaks (2.20, 2.01, 29.38 ppm; 2.61 A): 3 out of 10 assignments used, quality = 1.00: * HG3 GLU 35 + HB2 GLU 35 OK 95 100 100 95 2.5-3.0 2.9=70, 1558/1.8=24...(23) HG2 GLU 35 + HB2 GLU 35 OK 95 100 100 95 2.4-3.0 2.9=70, 1551/1.8=24...(23) HG2 GLU 99 + HB3 GLU 99 OK 37 43 100 88 2.3-3.0 3.0=68, 4402/3.0=18...(15) HB3 GLU 95 - HB3 GLU 99 poor 7 28 25 - 3.5-5.8 HG3 PRO 86 - HB3 GLU 17 far 0 64 0 - 4.4-6.6 HB3 GLU 16 - HB3 GLU 17 far 0 41 0 - 4.9-7.0 HB2 GLU 95 - HB3 GLU 99 far 0 56 0 - 5.2-7.5 HG2 GLU 98 - HB3 GLU 99 far 0 48 0 - 6.6-8.1 HB2 GLU 63 - HB2 GLU 35 far 0 100 0 - 7.7-9.8 HG2 MET 1 - HB3 GLU 99 far 0 57 0 - 8.7-12.8 Violated in 0 structures by 0.00 A. Peak 1540 from cnoeabs.peaks (8.19, 2.01, 29.38 ppm; 4.01 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 36 + HB2 GLU 35 OK 100 100 100 100 2.6-3.9 6558=100, 6556/6550=58...(13) H PHE 96 - HB3 GLU 99 poor 16 41 50 77 4.8-6.9 ~11025=23, 3.0/4324=17...(10) H SER 97 - HB3 GLU 99 poor 11 36 30 - 4.7-7.2 H GLU 104 - HB3 GLU 99 far 0 36 0 - 6.2-10.9 H HIS 106 - HB3 GLU 99 far 0 36 0 - 6.6-16.1 H LYS 68 - HB2 GLU 35 far 0 100 0 - 7.8-9.7 Violated in 0 structures by 0.00 A. Peak 1541 from cnoeabs.peaks (9.17, 2.08, 29.38 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 35 + HB3 GLU 35 OK 100 100 100 100 2.4-3.6 4.0=92, 6550/1.8=85...(21) Violated in 0 structures by 0.00 A. Peak 1542 from cnoeabs.peaks (3.89, 2.08, 29.38 ppm; 3.28 A): 3 out of 11 assignments used, quality = 1.00: * HA GLU 35 + HB3 GLU 35 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLU 43 + HB3 GLU 43 OK 85 85 100 100 2.5-3.0 3.0=100 HA LYS 40 + HB3 GLU 43 OK 59 71 100 83 2.4-4.1 1780/1.8=32, 1781=24...(14) HA ALA 67 - HB3 GLU 35 far 4 71 5 - 4.2-7.4 HA LYS 12 - HB2 GLU 16 far 3 63 5 - 4.5-7.0 HA GLU 63 - HB3 GLU 35 far 0 82 0 - 5.5-8.7 HA LEU 38 - HB3 GLU 35 far 0 98 0 - 6.6-8.4 HA LEU 38 - HB3 GLU 43 far 0 80 0 - 7.8-10.2 HB3 SER 9 - HB2 GLU 16 far 0 50 0 - 9.2-12.6 HB3 SER 49 - HB3 GLU 43 far 0 59 0 - 9.4-13.3 HA LYS 40 - HB3 GLU 35 far 0 90 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1543 from cnoeabs.peaks (2.01, 2.08, 29.38 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 35 + HB3 GLU 35 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 74 - HB3 GLU 43 far 0 84 0 - 3.9-5.6 HB3 GLU 44 - HB3 GLU 43 far 0 84 0 - 4.2-6.5 HB2 GLU 44 - HB3 GLU 43 far 0 84 0 - 4.6-5.8 HB3 GLU 17 - HB2 GLU 16 far 0 93 0 - 4.8-6.7 HB2 ARG 46 - HB3 GLU 43 far 0 54 0 - 4.9-7.2 HB2 LYS 47 - HB3 GLU 43 far 0 44 0 - 5.9-9.5 QE MET 74 - HB3 GLU 35 far 0 100 0 - 6.1-9.5 HB2 GLU 37 - HB3 GLU 35 far 0 77 0 - 7.6-9.1 HG12 ILE 93 - HB2 GLU 23 far 0 62 0 - 8.6-11.6 HB2 GLU 62 - HB3 GLU 35 far 0 99 0 - 8.7-12.5 HB2 GLU 37 - HB3 GLU 43 far 0 59 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 1544 from cnoeabs.peaks (2.08, 2.08, 29.38 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 35 + HB3 GLU 35 OK 100 100 - 100 HB2 GLU 16 + HB2 GLU 16 OK 92 92 - 100 HB2 GLU 23 + HB2 GLU 23 OK 87 87 - 100 HB3 GLU 43 + HB3 GLU 43 OK 77 77 - 100 Peak 1545 from cnoeabs.peaks (2.20, 2.08, 29.38 ppm; 2.40 A): 4 out of 9 assignments used, quality = 1.00: HG3 GLU 35 + HB3 GLU 35 OK 88 100 100 88 2.3-3.0 2.9=54, 1.8/1551=21...(24) * HG2 GLU 35 + HB3 GLU 35 OK 88 100 100 88 2.3-3.0 2.9=54, 1.8/1558=21...(23) HB3 GLU 16 + HB2 GLU 16 OK 65 65 100 100 1.8-1.8 1.8=100 HG2 GLU 43 + HB3 GLU 43 OK 64 83 100 77 2.2-2.7 3.0=51, 6695/6694=18...(14) HB2 GLU 63 - HB3 GLU 35 far 0 100 0 - 6.9-9.9 HG3 PRO 86 - HB2 GLU 16 far 0 93 0 - 8.6-10.9 HB3 GLU 16 - HB2 GLU 23 far 0 60 0 - 9.2-12.6 HG2 GLU 43 - HB3 GLU 35 far 0 99 0 - 9.7-12.3 HB3 GLN 72 - HB3 GLU 35 far 0 59 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 1546 from cnoeabs.peaks (2.20, 2.08, 29.38 ppm; 2.40 A): 4 out of 9 assignments used, quality = 1.00: * HG3 GLU 35 + HB3 GLU 35 OK 88 100 100 88 2.3-3.0 2.9=54, 1.8/1551=21...(24) HG2 GLU 35 + HB3 GLU 35 OK 88 100 100 88 2.3-3.0 2.9=54, 1.8/1558=21...(23) HB3 GLU 16 + HB2 GLU 16 OK 65 65 100 100 1.8-1.8 1.8=100 HG2 GLU 43 + HB3 GLU 43 OK 64 83 100 77 2.2-2.7 3.0=51, 6695/6694=18...(14) HB2 GLU 63 - HB3 GLU 35 far 0 100 0 - 6.9-9.9 HG3 PRO 86 - HB2 GLU 16 far 0 93 0 - 8.6-10.9 HB3 GLU 16 - HB2 GLU 23 far 0 60 0 - 9.2-12.6 HG2 GLU 43 - HB3 GLU 35 far 0 99 0 - 9.7-12.3 HB3 GLN 72 - HB3 GLU 35 far 0 59 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 1547 from cnoeabs.peaks (8.19, 2.08, 29.38 ppm; 3.52 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 36 + HB3 GLU 35 OK 98 100 100 98 2.7-4.2 6558/1.8=74, 6559=56...(15) H GLU 43 + HB3 GLU 43 OK 83 83 100 100 2.4-3.6 6694=93, 1962/1.8=69...(17) H LYS 68 - HB3 GLU 35 far 0 100 0 - 6.9-9.8 Violated in 0 structures by 0.00 A. Peak 1548 from cnoeabs.peaks (9.17, 2.20, 36.41 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 35 + HG2 GLU 35 OK 100 100 100 100 2.3-4.6 6550/2.9=71, 1541/2.9=64...(20) H GLU 35 + HG3 GLU 35 OK 100 100 100 100 3.6-4.5 6550/2.9=71, 1541/2.9=64...(21) Violated in 0 structures by 0.00 A. Peak 1549 from cnoeabs.peaks (3.89, 2.20, 36.41 ppm; 3.16 A): 4 out of 19 assignments used, quality = 1.00: HA GLU 35 + HG3 GLU 35 OK 99 100 100 99 2.3-4.2 4.1=47, 4023/2.9=25...(35) * HA GLU 35 + HG2 GLU 35 OK 98 100 100 98 2.8-3.8 4.1=47, 4023/2.9=25...(33) HA GLU 43 + HG2 GLU 43 OK 95 96 100 99 2.4-3.8 3.7=64, 2.9/6695=40...(23) HA LYS 40 + HG2 GLU 43 OK 70 83 100 84 2.0-4.4 1985/1.8=22, 1780/3.0=21...(19) HA ALA 67 - HG3 GLU 35 far 11 71 15 - 3.8-8.4 HA ALA 67 - HG2 GLU 35 far 0 71 0 - 4.7-8.6 HA LEU 38 - HG3 GLU 35 far 0 98 0 - 6.1-9.7 HA LEU 38 - HG2 GLU 35 far 0 98 0 - 6.1-8.9 HA GLU 63 - HG3 GLU 35 far 0 82 0 - 6.2-9.9 HB3 SER 49 - HG3 GLU 75 far 0 34 0 - 6.7-15.9 HA GLU 43 - HG3 GLU 75 far 0 53 0 - 7.5-10.3 HB3 SER 49 - HG2 GLU 75 far 0 32 0 - 7.6-15.9 HA GLU 63 - HG2 GLU 35 far 0 82 0 - 7.7-10.3 HA LEU 38 - HG2 GLU 43 far 0 92 0 - 7.8-8.7 HA LYS 40 - HG3 GLU 35 far 0 90 0 - 8.2-10.8 HA LYS 40 - HG2 GLU 35 far 0 90 0 - 8.2-10.1 HA GLU 43 - HG2 GLU 75 far 0 49 0 - 8.4-11.6 HA ALA 67 - HG2 GLU 43 far 0 65 0 - 9.4-11.3 HA GLU 35 - HG2 GLU 43 far 0 97 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 1550 from cnoeabs.peaks (2.01, 2.20, 36.41 ppm; 2.66 A): 3 out of 17 assignments used, quality = 1.00: HB2 GLU 35 + HG3 GLU 35 OK 96 100 100 96 2.5-3.0 2.9=74, 1538/1.8=27...(24) * HB2 GLU 35 + HG2 GLU 35 OK 96 100 100 96 2.4-3.0 2.9=74, 1538/1.8=27...(24) QE MET 74 + HG2 GLU 43 OK 71 96 95 78 1.9-4.4 10280/1.8=38...(15) HB2 ARG 46 - HG3 GLU 75 far 0 31 0 - 5.1-10.3 QE MET 74 - HG3 GLU 75 far 0 52 0 - 5.3-7.0 QE MET 74 - HG3 GLU 35 far 0 100 0 - 5.8-8.1 HB2 ARG 46 - HG2 GLU 43 far 0 65 0 - 5.9-7.9 QE MET 74 - HG2 GLU 75 far 0 48 0 - 6.0-8.3 QE MET 74 - HG2 GLU 35 far 0 100 0 - 6.1-8.5 HB3 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-8.1 HB2 ARG 46 - HG2 GLU 75 far 0 29 0 - 6.4-11.3 HB2 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.6-8.0 HB2 GLU 37 - HG2 GLU 35 far 0 77 0 - 7.4-9.1 HB2 LYS 47 - HG2 GLU 43 far 0 54 0 - 7.5-11.2 HB2 GLU 37 - HG3 GLU 35 far 0 77 0 - 7.5-9.8 HB2 GLU 37 - HG2 GLU 43 far 0 71 0 - 8.9-10.7 HB2 GLU 62 - HG3 GLU 35 far 0 99 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 1551 from cnoeabs.peaks (2.08, 2.20, 36.41 ppm; 2.45 A): 3 out of 17 assignments used, quality = 1.00: HB3 GLU 35 + HG3 GLU 35 OK 90 100 100 90 2.3-3.0 2.9=58, 1.8/1538=23...(26) * HB3 GLU 35 + HG2 GLU 35 OK 90 100 100 90 2.3-3.0 2.9=58, 1.8/1538=23...(25) HB3 GLU 43 + HG2 GLU 43 OK 74 90 100 82 2.2-2.7 3.0=55, 700/1.8=22...(17) HB3 LEU 38 - HG3 GLU 35 far 5 99 5 - 3.9-8.7 HB2 MET 74 - HG2 GLU 43 far 4 88 5 - 2.9-7.5 HB3 LEU 38 - HG2 GLU 35 far 0 99 0 - 4.2-8.1 HB2 MET 74 - HG3 GLU 75 far 0 46 0 - 5.1-6.2 HB2 MET 74 - HG2 GLU 75 far 0 42 0 - 5.3-7.8 HG3 GLU 37 - HG2 GLU 35 far 0 79 0 - 5.6-7.7 HG3 GLU 37 - HG3 GLU 35 far 0 79 0 - 6.1-8.0 HB3 LEU 38 - HG2 GLU 43 far 0 95 0 - 7.5-10.0 HB3 GLU 62 - HG3 GLU 35 far 0 99 0 - 8.0-13.5 HB2 MET 74 - HG2 GLU 35 far 0 94 0 - 9.1-13.9 HB2 MET 74 - HG3 GLU 35 far 0 94 0 - 9.4-13.6 HG3 GLU 37 - HG2 GLU 43 far 0 73 0 - 9.4-11.6 HB3 GLU 35 - HG2 GLU 43 far 0 97 0 - 9.7-12.3 HB3 GLU 62 - HG2 GLU 35 far 0 99 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1552 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 * HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Peak 1553 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Reference assignment not found: HG3 GLU 35 - HG2 GLU 35 Peak 1554 from cnoeabs.peaks (8.19, 2.20, 36.41 ppm; 3.66 A): 3 out of 9 assignments used, quality = 1.00: * H ASP 36 + HG2 GLU 35 OK 98 100 100 98 2.0-4.6 6558/2.9=60, 6560=46...(20) H ASP 36 + HG3 GLU 35 OK 98 100 100 98 2.7-5.1 6558/2.9=60, 6561=46...(19) H GLU 43 + HG2 GLU 43 OK 95 95 100 100 2.7-3.2 6695=87, 6696/1.8=75...(19) H LYS 68 - HG3 GLU 35 far 0 100 0 - 6.0-10.5 H LYS 68 - HG2 GLU 35 far 0 100 0 - 7.3-11.1 H ASP 36 - HG2 GLU 43 far 0 97 0 - 8.9-11.4 H GLU 43 - HG3 GLU 35 far 0 99 0 - 9.2-11.9 H GLU 43 - HG2 GLU 35 far 0 99 0 - 9.3-11.9 H GLU 43 - HG3 GLU 75 far 0 51 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1555 from cnoeabs.peaks (9.17, 2.20, 36.41 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: H GLU 35 + HG2 GLU 35 OK 100 100 100 100 2.3-4.6 6550/2.9=71, 1541/2.9=64...(20) * H GLU 35 + HG3 GLU 35 OK 100 100 100 100 3.6-4.5 6550/2.9=71, 1541/2.9=64...(21) Violated in 0 structures by 0.00 A. Peak 1556 from cnoeabs.peaks (3.89, 2.20, 36.41 ppm; 3.16 A): 4 out of 19 assignments used, quality = 1.00: * HA GLU 35 + HG3 GLU 35 OK 99 100 100 99 2.3-4.2 4.1=47, 4023/2.9=25...(35) HA GLU 35 + HG2 GLU 35 OK 98 100 100 98 2.8-3.8 4.1=47, 4023/2.9=25...(33) HA GLU 43 + HG2 GLU 43 OK 95 96 100 99 2.4-3.8 3.7=64, 2.9/6695=40...(23) HA LYS 40 + HG2 GLU 43 OK 70 83 100 84 2.0-4.4 1985/1.8=22, 1780/3.0=21...(19) HA ALA 67 - HG3 GLU 35 far 11 71 15 - 3.8-8.4 HA ALA 67 - HG2 GLU 35 far 0 71 0 - 4.7-8.6 HA LEU 38 - HG3 GLU 35 far 0 98 0 - 6.1-9.7 HA LEU 38 - HG2 GLU 35 far 0 98 0 - 6.1-8.9 HA GLU 63 - HG3 GLU 35 far 0 82 0 - 6.2-9.9 HB3 SER 49 - HG3 GLU 75 far 0 34 0 - 6.7-15.9 HA GLU 43 - HG3 GLU 75 far 0 53 0 - 7.5-10.3 HB3 SER 49 - HG2 GLU 75 far 0 32 0 - 7.6-15.9 HA GLU 63 - HG2 GLU 35 far 0 82 0 - 7.7-10.3 HA LEU 38 - HG2 GLU 43 far 0 92 0 - 7.8-8.7 HA LYS 40 - HG3 GLU 35 far 0 90 0 - 8.2-10.8 HA LYS 40 - HG2 GLU 35 far 0 90 0 - 8.2-10.1 HA GLU 43 - HG2 GLU 75 far 0 49 0 - 8.4-11.6 HA ALA 67 - HG2 GLU 43 far 0 65 0 - 9.4-11.3 HA GLU 35 - HG2 GLU 43 far 0 97 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 1557 from cnoeabs.peaks (2.01, 2.20, 36.41 ppm; 2.66 A): 3 out of 17 assignments used, quality = 1.00: * HB2 GLU 35 + HG3 GLU 35 OK 96 100 100 96 2.5-3.0 2.9=74, 1538/1.8=27...(24) HB2 GLU 35 + HG2 GLU 35 OK 96 100 100 96 2.4-3.0 2.9=74, 1538/1.8=27...(24) QE MET 74 + HG2 GLU 43 OK 71 96 95 78 1.9-4.4 10280/1.8=38...(15) HB2 ARG 46 - HG3 GLU 75 far 0 31 0 - 5.1-10.3 QE MET 74 - HG3 GLU 75 far 0 52 0 - 5.3-7.0 QE MET 74 - HG3 GLU 35 far 0 100 0 - 5.8-8.1 HB2 ARG 46 - HG2 GLU 43 far 0 65 0 - 5.9-7.9 QE MET 74 - HG2 GLU 75 far 0 48 0 - 6.0-8.3 QE MET 74 - HG2 GLU 35 far 0 100 0 - 6.1-8.5 HB3 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.2-8.1 HB2 ARG 46 - HG2 GLU 75 far 0 29 0 - 6.4-11.3 HB2 GLU 44 - HG2 GLU 43 far 0 96 0 - 6.6-8.0 HB2 GLU 37 - HG2 GLU 35 far 0 77 0 - 7.4-9.1 HB2 LYS 47 - HG2 GLU 43 far 0 54 0 - 7.5-11.2 HB2 GLU 37 - HG3 GLU 35 far 0 77 0 - 7.5-9.8 HB2 GLU 37 - HG2 GLU 43 far 0 71 0 - 8.9-10.7 HB2 GLU 62 - HG3 GLU 35 far 0 99 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 1558 from cnoeabs.peaks (2.08, 2.20, 36.41 ppm; 2.45 A): 3 out of 17 assignments used, quality = 1.00: * HB3 GLU 35 + HG3 GLU 35 OK 90 100 100 90 2.3-3.0 2.9=58, 1.8/1538=23...(26) HB3 GLU 35 + HG2 GLU 35 OK 90 100 100 90 2.3-3.0 2.9=58, 1.8/1538=23...(25) HB3 GLU 43 + HG2 GLU 43 OK 74 90 100 82 2.2-2.7 3.0=55, 700/1.8=22...(17) HB3 LEU 38 - HG3 GLU 35 far 5 99 5 - 3.9-8.7 HB2 MET 74 - HG2 GLU 43 far 4 88 5 - 2.9-7.5 HB3 LEU 38 - HG2 GLU 35 far 0 99 0 - 4.2-8.1 HB2 MET 74 - HG3 GLU 75 far 0 46 0 - 5.1-6.2 HB2 MET 74 - HG2 GLU 75 far 0 42 0 - 5.3-7.8 HG3 GLU 37 - HG2 GLU 35 far 0 79 0 - 5.6-7.7 HG3 GLU 37 - HG3 GLU 35 far 0 79 0 - 6.1-8.0 HB3 LEU 38 - HG2 GLU 43 far 0 95 0 - 7.5-10.0 HB3 GLU 62 - HG3 GLU 35 far 0 99 0 - 8.0-13.5 HB2 MET 74 - HG2 GLU 35 far 0 94 0 - 9.1-13.9 HB2 MET 74 - HG3 GLU 35 far 0 94 0 - 9.4-13.6 HG3 GLU 37 - HG2 GLU 43 far 0 73 0 - 9.4-11.6 HB3 GLU 35 - HG2 GLU 43 far 0 97 0 - 9.7-12.3 HB3 GLU 62 - HG2 GLU 35 far 0 99 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1559 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Reference assignment not found: HG2 GLU 35 - HG3 GLU 35 Peak 1560 from cnoeabs.peaks (2.20, 2.20, 36.41 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 35 + HG3 GLU 35 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 42 42 - 100 HG2 GLU 75 + HG2 GLU 75 OK 37 37 - 100 Peak 1561 from cnoeabs.peaks (8.19, 2.20, 36.41 ppm; 3.66 A): 3 out of 9 assignments used, quality = 1.00: H ASP 36 + HG2 GLU 35 OK 98 100 100 98 2.0-4.6 6558/2.9=60, 6560=46...(20) * H ASP 36 + HG3 GLU 35 OK 98 100 100 98 2.7-5.1 6558/2.9=60, 6561=46...(19) H GLU 43 + HG2 GLU 43 OK 95 95 100 100 2.7-3.2 6695=87, 6696/1.8=75...(19) H LYS 68 - HG3 GLU 35 far 0 100 0 - 6.0-10.5 H LYS 68 - HG2 GLU 35 far 0 100 0 - 7.3-11.1 H ASP 36 - HG2 GLU 43 far 0 97 0 - 8.9-11.4 H GLU 43 - HG3 GLU 35 far 0 99 0 - 9.2-11.9 H GLU 43 - HG2 GLU 35 far 0 99 0 - 9.3-11.9 H GLU 43 - HG3 GLU 75 far 0 51 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1562 from cnoeabs.peaks (8.19, 4.29, 56.96 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: * H ASP 36 + HA ASP 36 OK 100 100 100 100 2.7-2.9 3.0=100 H LYS 68 + HA ASP 65 OK 47 48 100 97 3.3-3.5 7100=54, 7078/3.6=33...(18) H HIS 106 - HA ASP 65 far 0 30 0 - 7.0-23.1 H GLU 43 - HA ASP 36 far 0 99 0 - 7.6-9.2 H GLU 104 - HA ASP 65 far 0 30 0 - 9.0-21.5 Violated in 0 structures by 0.00 A. Peak 1563 from cnoeabs.peaks (4.29, 4.29, 56.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 36 + HA ASP 36 OK 100 100 - 100 HA ASP 65 + HA ASP 65 OK 36 36 - 100 Peak 1564 from cnoeabs.peaks (2.50, 4.29, 56.96 ppm; 3.01 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ASP 36 + HA ASP 36 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASP 36 + HA ASP 36 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 61 - HA ASP 65 far 0 48 0 - 6.4-8.9 HG3 GLN 72 - HA ASP 65 far 0 29 0 - 6.9-8.4 HG3 GLU 63 - HA ASP 65 far 0 46 0 - 8.1-9.7 HG2 MET 74 - HA ASP 36 far 0 90 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 1565 from cnoeabs.peaks (2.51, 4.29, 56.96 ppm; 3.01 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ASP 36 + HA ASP 36 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 36 + HA ASP 36 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 61 - HA ASP 65 far 0 48 0 - 6.4-8.9 HG3 GLN 72 - HA ASP 65 far 0 30 0 - 6.9-8.4 HG3 GLU 63 - HA ASP 65 far 0 46 0 - 8.1-9.7 HG2 MET 74 - HA ASP 36 far 0 91 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 1566 from cnoeabs.peaks (7.74, 4.29, 56.96 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 37 + HA ASP 36 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 64 + HA ASP 65 OK 34 36 100 94 5.2-5.4 7047/3.0=66, 7062/3.6=47...(13) H ASN 60 - HA ASP 65 far 0 45 0 - 9.0-9.3 H MET 74 - HA ASP 36 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1567 from cnoeabs.peaks (8.19, 2.50, 40.21 ppm; 3.03 A): 2 out of 7 assignments used, quality = 1.00: * H ASP 36 + HB2 ASP 36 OK 95 100 100 95 2.2-3.4 3.6=61, 6564/1.8=37...(17) H ASP 36 + HB3 ASP 36 OK 94 100 100 94 2.1-3.6 3.6=61, 6563/1.8=37...(17) H GLU 43 - HB3 ASP 36 far 0 99 0 - 8.7-11.1 H HIS 106 - HB2 ASP 61 far 0 66 0 - 9.2-25.9 H LYS 68 - HB2 ASP 61 far 0 94 0 - 9.3-11.3 H GLU 43 - HB2 ASP 36 far 0 99 0 - 9.4-11.3 H GLU 104 - HB3 ASP 87 far 0 68 0 - 9.9-22.4 Violated in 0 structures by 0.00 A. Peak 1568 from cnoeabs.peaks (4.29, 2.50, 40.21 ppm; 2.95 A): 2 out of 3 assignments used, quality = 1.00: HA ASP 36 + HB3 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6564=25...(15) * HA ASP 36 + HB2 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6563=25...(13) HA ASP 65 - HB2 ASP 61 far 0 77 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 1569 from cnoeabs.peaks (2.50, 2.50, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 87 + HB2 ASP 87 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 94 94 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 Peak 1570 from cnoeabs.peaks (2.51, 2.50, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 87 + HB2 ASP 87 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 94 94 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 Reference assignment not found: HB3 ASP 36 - HB2 ASP 36 Peak 1571 from cnoeabs.peaks (7.74, 2.50, 40.21 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 37 + HB2 ASP 36 OK 97 100 100 97 2.3-4.2 4.0=63, 6565/3.6=49...(16) H GLU 37 + HB3 ASP 36 OK 97 100 100 97 2.4-4.1 4.0=63, 6565/3.6=49...(15) H LEU 64 - HB2 ASP 61 far 0 77 0 - 5.3-6.2 H ASN 60 - HB2 ASP 61 far 0 91 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 1572 from cnoeabs.peaks (8.19, 2.51, 40.21 ppm; 3.03 A): 2 out of 7 assignments used, quality = 1.00: H ASP 36 + HB2 ASP 36 OK 95 100 100 95 2.2-3.4 3.6=61, 6564/1.8=37...(17) * H ASP 36 + HB3 ASP 36 OK 94 100 100 94 2.1-3.6 3.6=61, 6563/1.8=37...(17) H GLU 43 - HB3 ASP 36 far 0 99 0 - 8.7-11.1 H HIS 106 - HB2 ASP 61 far 0 66 0 - 9.2-25.9 H LYS 68 - HB2 ASP 61 far 0 94 0 - 9.3-11.3 H GLU 43 - HB2 ASP 36 far 0 99 0 - 9.4-11.3 H GLU 104 - HB3 ASP 87 far 0 67 0 - 9.9-22.4 Violated in 0 structures by 0.00 A. Peak 1573 from cnoeabs.peaks (4.29, 2.51, 40.21 ppm; 2.95 A): 2 out of 3 assignments used, quality = 1.00: * HA ASP 36 + HB3 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6564=25...(15) HA ASP 36 + HB2 ASP 36 OK 99 100 100 99 2.3-3.0 3.0=95, 3.0/6563=25...(13) HA ASP 65 - HB2 ASP 61 far 0 78 0 - 6.4-8.9 Violated in 0 structures by 0.00 A. Peak 1574 from cnoeabs.peaks (2.50, 2.51, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 94 94 - 100 HB2 ASP 87 + HB2 ASP 87 OK 94 94 - 100 Reference assignment not found: HB2 ASP 36 - HB3 ASP 36 Peak 1575 from cnoeabs.peaks (2.51, 2.51, 40.21 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 HB2 ASP 61 + HB2 ASP 61 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 93 93 - 100 HB2 ASP 87 + HB2 ASP 87 OK 93 93 - 100 Peak 1576 from cnoeabs.peaks (7.74, 2.51, 40.21 ppm; 3.47 A): 2 out of 4 assignments used, quality = 1.00: H GLU 37 + HB2 ASP 36 OK 97 100 100 97 2.3-4.2 4.0=63, 6565/3.6=49...(16) * H GLU 37 + HB3 ASP 36 OK 97 100 100 97 2.4-4.1 4.0=63, 6565/3.6=49...(15) H LEU 64 - HB2 ASP 61 far 0 78 0 - 5.3-6.2 H ASN 60 - HB2 ASP 61 far 0 91 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 1577 from cnoeabs.peaks (7.74, 3.71, 58.70 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HA GLU 37 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 1578 from cnoeabs.peaks (3.71, 3.71, 58.70 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HA GLU 37 OK 100 100 - 100 HA LEU 14 + HA LEU 14 OK 32 32 - 100 Peak 1579 from cnoeabs.peaks (1.98, 3.71, 58.70 ppm; 3.30 A): 2 out of 9 assignments used, quality = 1.00: * HB2 GLU 37 + HA GLU 37 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 17 + HA LEU 14 OK 20 30 100 68 2.9-4.5 3.0/8477=17, 3.0/8478=15...(12) HB2 GLU 17 - HA LEU 14 poor 20 24 85 - 2.6-4.9 HB VAL 32 - HA GLU 37 far 0 63 0 - 6.7-8.1 QE MET 74 - HA GLU 37 far 0 87 0 - 7.0-8.2 HB2 GLU 44 - HA GLU 37 far 0 88 0 - 7.4-11.5 HB2 GLU 35 - HA GLU 37 far 0 77 0 - 7.5-8.5 HG3 GLU 88 - HA LEU 14 far 0 25 0 - 8.2-10.3 HB3 GLU 44 - HA GLU 37 far 0 88 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 1580 from cnoeabs.peaks (2.13, 3.71, 58.70 ppm; 3.09 A): 4 out of 8 assignments used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 37 + HA GLU 37 OK 95 96 100 99 2.7-3.7 1609=58, 1.8/1602=48...(27) HB2 PRO 86 + HA LEU 14 OK 40 44 100 91 1.7-2.5 2.3/9885=15, 2.3/9887=15...(33) HB3 PRO 86 + HA LEU 14 OK 33 36 100 90 2.9-3.8 2.3/9885=15, 2.3/9887=15...(33) HG2 GLU 44 - HA GLU 37 far 0 99 0 - 6.8-11.9 HB VAL 83 - HA LEU 14 far 0 42 0 - 7.3-8.2 HG2 GLU 88 - HA LEU 14 far 0 40 0 - 8.5-10.3 QE MET 21 - HA LEU 14 far 0 31 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 1581 from cnoeabs.peaks (2.26, 3.71, 58.70 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + HA GLU 37 OK 100 100 100 100 2.4-4.2 1602=94, 1.8/1609=77...(22) HG2 GLU 17 + HA LEU 14 OK 34 41 100 82 2.5-4.3 8477=26, 1.8/8478=23...(11) Violated in 0 structures by 0.00 A. Peak 1582 from cnoeabs.peaks (2.11, 3.71, 58.70 ppm; 3.09 A): 4 out of 12 assignments used, quality = 1.00: * HG3 GLU 37 + HA GLU 37 OK 99 100 100 99 2.7-3.7 1609=62, 1.8/1602=48...(28) HB3 GLU 37 + HA GLU 37 OK 96 96 100 100 2.2-3.0 3.0=100 HB3 PRO 86 + HA LEU 14 OK 40 45 100 90 2.9-3.8 2.3/9885=15, 2.3/9887=15...(33) HB2 PRO 86 + HA LEU 14 OK 39 43 100 91 1.7-2.5 2.3/9885=15, 2.3/9887=15...(33) HB2 GLU 16 - HA LEU 14 far 0 25 0 - 5.0-6.9 HB3 LEU 38 - HA GLU 37 far 0 63 0 - 5.8-6.4 HG2 GLU 44 - HA GLU 37 far 0 85 0 - 6.8-11.9 HB VAL 83 - HA LEU 14 far 0 45 0 - 7.3-8.2 HB3 GLU 88 - HA LEU 14 far 0 27 0 - 7.5-8.4 HB3 GLU 35 - HA GLU 37 far 0 79 0 - 7.5-8.3 HG2 GLU 88 - HA LEU 14 far 0 27 0 - 8.5-10.3 QE MET 21 - HA LEU 14 far 0 43 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 1583 from cnoeabs.peaks (7.53, 3.71, 58.70 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 38 + HA GLU 37 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 14 + HA LEU 14 OK 36 36 100 100 2.8-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 1584 from cnoeabs.peaks (7.63, 3.71, 58.70 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HA GLU 37 OK 100 100 100 100 3.3-3.9 6615=100, 1795/1794=56...(17) H GLU 44 - HA GLU 37 far 0 75 0 - 7.4-9.4 Violated in 1 structures by 0.00 A. Peak 1585 from cnoeabs.peaks (1.65, 3.71, 58.70 ppm; 3.26 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 40 + HA GLU 37 OK 99 100 100 99 2.7-3.6 1782=66, 1.8/1794=60...(22) HB3 LYS 40 + HA GLU 37 OK 62 63 100 98 2.3-3.2 1.8/1782=57, 1794=39...(24) HD2 LYS 39 - HA GLU 37 far 5 99 5 - 4.4-8.1 HD3 LYS 39 - HA GLU 37 far 0 100 0 - 5.2-8.3 HD3 LYS 20 - HA LEU 14 far 0 31 0 - 6.8-9.3 HD2 LYS 20 - HA LEU 14 far 0 28 0 - 6.8-8.8 HG3 LYS 20 - HA LEU 14 far 0 31 0 - 6.9-9.7 HB3 ARG 91 - HA LEU 14 far 0 24 0 - 9.6-11.8 HB3 LEU 6 - HA GLU 37 far 0 100 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1586 from cnoeabs.peaks (1.68, 3.71, 58.70 ppm; 3.23 A): 5 out of 17 assignments used, quality = 1.00: * HB3 LYS 40 + HA GLU 37 OK 99 100 100 99 2.3-3.2 1794=70, 1.8/1782=55...(24) HB2 LYS 40 + HA GLU 37 OK 62 63 100 97 2.7-3.6 1.8/1794=58, 1782=34...(21) HG2 PRO 86 + HA LEU 14 OK 38 43 100 89 3.7-4.6 10959/3.0=26, ~12221=18...(22) HD2 LYS 13 + HA LEU 14 OK 30 39 85 91 2.8-6.7 ~6191=14, 5.5/8391=9...(64) HD3 LYS 13 + HA LEU 14 OK 29 38 85 90 2.9-6.6 ~6191=14, 5.5/8391=9...(64) HD3 LYS 90 - HA LEU 14 far 4 42 10 - 4.4-7.9 HD2 LYS 39 - HA GLU 37 far 4 79 5 - 4.4-8.1 HG12 ILE 15 - HA LEU 14 far 0 43 0 - 5.6-6.0 HD3 LYS 20 - HA LEU 14 far 0 43 0 - 6.8-9.3 HD2 LYS 20 - HA LEU 14 far 0 44 0 - 6.8-8.8 HG3 LYS 20 - HA LEU 14 far 0 43 0 - 6.9-9.7 HD2 LYS 12 - HA LEU 14 far 0 39 0 - 7.2-9.5 HD3 LYS 12 - HA LEU 14 far 0 39 0 - 7.6-10.8 HB3 LEU 70 - HA GLU 37 far 0 73 0 - 8.3-9.4 HG LEU 70 - HA GLU 37 far 0 96 0 - 9.0-10.0 HB3 ARG 91 - HA LEU 14 far 0 45 0 - 9.6-11.8 HB3 LEU 6 - HA GLU 37 far 0 68 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1587 from cnoeabs.peaks (7.74, 1.98, 30.20 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HB2 GLU 37 OK 100 100 100 100 2.9-3.6 6572=100, 1594/1.8=79...(20) Violated in 0 structures by 0.00 A. Peak 1588 from cnoeabs.peaks (3.71, 1.98, 30.20 ppm; 3.65 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HB2 GLU 37 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 42 - HB2 GLU 37 far 0 100 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 1589 from cnoeabs.peaks (1.98, 1.98, 30.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 Peak 1590 from cnoeabs.peaks (2.13, 1.98, 30.20 ppm; 2.79 A): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 37 + HB2 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 37 + HB2 GLU 37 OK 94 96 100 98 2.3-3.0 3.0=80, 1609/3.0=30...(15) HG2 GLU 44 - HB2 GLU 37 far 0 99 0 - 8.1-12.8 Violated in 0 structures by 0.00 A. Peak 1591 from cnoeabs.peaks (2.26, 1.98, 30.20 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1592 from cnoeabs.peaks (2.11, 1.98, 30.20 ppm; 2.79 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 37 + HB2 GLU 37 OK 98 100 100 98 2.3-3.0 3.0=80, 1609/3.0=32...(15) HB3 GLU 37 + HB2 GLU 37 OK 96 96 100 100 1.8-1.8 1.8=100 HB3 LEU 38 - HB2 GLU 37 far 0 63 0 - 5.3-7.3 HB3 GLU 35 - HB2 GLU 37 far 0 79 0 - 7.6-9.1 HG2 GLU 44 - HB2 GLU 37 far 0 85 0 - 8.1-12.8 Violated in 0 structures by 0.00 A. Peak 1593 from cnoeabs.peaks (7.53, 1.98, 30.20 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HB2 GLU 37 OK 100 100 100 100 2.9-4.3 1600/1.8=77, 4.6=76...(17) Violated in 2 structures by 0.00 A. Peak 1594 from cnoeabs.peaks (7.74, 2.13, 30.20 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HB3 GLU 37 OK 100 100 100 100 2.2-3.6 6572/1.8=83, 4.1=77...(21) Violated in 0 structures by 0.00 A. Peak 1595 from cnoeabs.peaks (3.71, 2.13, 30.20 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 100 100 2.2-3.0 3.0=100 HA LEU 42 - HB3 GLU 37 far 0 100 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 1596 from cnoeabs.peaks (1.98, 2.13, 30.20 ppm; 2.94 A): 2 out of 6 assignments used, quality = 1.00: * HB2 GLU 37 + HB3 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 32 + HB3 GLU 37 OK 30 63 50 94 4.1-7.0 2.1/8839=37, ~8836=26...(24) HB2 GLU 35 - HB3 GLU 37 far 0 77 0 - 6.8-9.0 QE MET 74 - HB3 GLU 37 far 0 87 0 - 8.1-9.5 HB2 GLU 44 - HB3 GLU 37 far 0 88 0 - 8.3-13.6 HB3 GLU 44 - HB3 GLU 37 far 0 88 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 1597 from cnoeabs.peaks (2.13, 2.13, 30.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 Peak 1598 from cnoeabs.peaks (2.26, 2.13, 30.20 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 62 - HB3 GLU 37 far 0 100 0 - 9.8-15.8 HG2 GLU 63 - HB3 GLU 37 far 0 63 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 1599 from cnoeabs.peaks (2.11, 2.13, 30.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HB3 GLU 37 + HB3 GLU 37 OK 96 96 - 100 Reference assignment not found: HG3 GLU 37 - HB3 GLU 37 Peak 1600 from cnoeabs.peaks (7.53, 2.13, 30.20 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HB3 GLU 37 OK 100 100 100 100 2.3-4.3 1593/1.8=77, 4.6=75...(18) Violated in 4 structures by 0.01 A. Peak 1601 from cnoeabs.peaks (7.74, 2.26, 36.95 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 37 + HG2 GLU 37 OK 100 100 100 100 2.2-3.6 6574=87, 1608/1.8=69...(22) H LEU 64 + HG2 GLU 62 OK 39 56 100 70 4.6-5.2 7028/4.0=27, 7027/4.9=15...(13) H LEU 64 - HG3 GLU 62 far 8 56 15 - 5.1-5.8 H ASN 60 - HG2 GLU 62 far 7 69 10 - 4.7-6.5 H ASN 60 - HG3 GLU 62 far 0 69 0 - 5.7-7.7 Violated in 0 structures by 0.00 A. Peak 1602 from cnoeabs.peaks (3.71, 2.26, 36.95 ppm; 3.82 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 37 + HG2 GLU 37 OK 100 100 100 100 2.4-4.2 3.9=95, 1609/1.8=80...(22) HB THR 80 - HG3 GLU 62 far 0 50 0 - 9.7-11.3 HB THR 80 - HG2 GLU 62 far 0 50 0 - 9.8-11.2 Violated in 14 structures by 0.07 A. Peak 1603 from cnoeabs.peaks (1.98, 2.26, 36.95 ppm; 3.28 A): 4 out of 10 assignments used, quality = 1.00: * HB2 GLU 37 + HG2 GLU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 62 + HG2 GLU 62 OK 37 37 100 100 2.3-3.0 2.9=100 HB2 GLU 62 + HG3 GLU 62 OK 37 37 100 100 2.5-3.0 2.9=100 HB VAL 32 + HG2 GLU 37 OK 25 63 40 97 4.1-7.2 2.1/10157=37, ~8849=29...(23) HB2 GLU 35 - HG3 GLU 62 far 0 48 0 - 6.1-9.0 HB2 GLU 35 - HG2 GLU 37 far 0 77 0 - 6.4-8.5 HB2 GLU 35 - HG2 GLU 62 far 0 48 0 - 6.8-10.6 HB VAL 32 - HG2 GLU 62 far 0 39 0 - 7.9-10.7 HB VAL 32 - HG3 GLU 62 far 0 39 0 - 8.7-10.3 QE MET 74 - HG2 GLU 37 far 0 87 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 1604 from cnoeabs.peaks (2.13, 2.26, 36.95 ppm; 2.49 A): 4 out of 13 assignments used, quality = 1.00: HG3 GLU 37 + HG2 GLU 37 OK 96 96 100 100 1.8-1.8 1.8=100 * HB3 GLU 37 + HG2 GLU 37 OK 92 100 100 92 2.2-3.0 3.0=57, 3.0/1602=22...(16) HB3 GLU 62 + HG2 GLU 62 OK 30 39 100 78 2.4-3.0 2.9=62, 3.0/2729=13...(9) HB3 GLU 62 + HG3 GLU 62 OK 30 39 100 78 2.3-3.0 2.9=62, 3.0/2729=13...(9) HB2 LEU 64 - HG2 GLU 62 far 0 67 0 - 5.9-7.1 HB2 LEU 64 - HG3 GLU 62 far 0 67 0 - 6.6-7.4 HG2 GLU 69 - HG3 GLU 62 far 0 72 0 - 6.8-9.6 HB3 GLU 69 - HG3 GLU 62 far 0 72 0 - 7.8-12.3 HB2 GLU 69 - HG3 GLU 62 far 0 72 0 - 8.0-10.9 HG2 GLU 69 - HG2 GLU 62 far 0 72 0 - 8.3-11.0 HB3 GLU 69 - HG2 GLU 62 far 0 72 0 - 9.1-13.2 HB2 GLU 69 - HG2 GLU 62 far 0 72 0 - 9.4-12.0 HB3 GLU 37 - HG2 GLU 62 far 0 72 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 1605 from cnoeabs.peaks (2.26, 2.26, 36.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 72 72 - 100 HG2 GLU 62 + HG2 GLU 62 OK 72 72 - 100 Peak 1606 from cnoeabs.peaks (2.11, 2.26, 36.95 ppm; 2.49 A): 4 out of 19 assignments used, quality = 1.00: * HG3 GLU 37 + HG2 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 37 + HG2 GLU 37 OK 88 96 100 92 2.2-3.0 3.0=57, 3.0/1602=22...(17) HB3 GLU 62 + HG2 GLU 62 OK 47 60 100 79 2.4-3.0 2.9=62, 3.0/2728=13...(9) HB3 GLU 62 + HG3 GLU 62 OK 47 60 100 79 2.3-3.0 2.9=62, 3.0/2728=13...(9) HB3 LEU 38 - HG2 GLU 37 far 0 63 0 - 4.2-8.2 HB3 GLU 35 - HG3 GLU 62 far 0 50 0 - 5.8-10.7 HB2 LEU 64 - HG2 GLU 62 far 0 72 0 - 5.9-7.1 HB3 GLU 35 - HG2 GLU 37 far 0 79 0 - 6.5-9.1 HB3 GLU 35 - HG2 GLU 62 far 0 50 0 - 6.5-12.4 HB2 LEU 64 - HG3 GLU 62 far 0 72 0 - 6.6-7.4 HG2 GLU 69 - HG3 GLU 62 far 0 64 0 - 6.8-9.6 HB3 GLU 69 - HG3 GLU 62 far 0 64 0 - 7.8-12.3 HB2 GLU 69 - HG3 GLU 62 far 0 64 0 - 8.0-10.9 HG2 GLU 69 - HG2 GLU 62 far 0 64 0 - 8.3-11.0 HB3 LEU 38 - HG2 GLU 62 far 0 39 0 - 8.9-12.4 HB3 LEU 38 - HG3 GLU 62 far 0 39 0 - 9.0-11.3 HB3 GLU 69 - HG2 GLU 62 far 0 64 0 - 9.1-13.2 HB2 GLU 69 - HG2 GLU 62 far 0 64 0 - 9.4-12.0 HB3 GLU 37 - HG2 GLU 62 far 0 65 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 1607 from cnoeabs.peaks (7.53, 2.26, 36.95 ppm; 4.90 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 38 + HG2 GLU 37 OK 100 100 100 100 2.7-4.9 6583=100, 1614/1.8=90...(18) H LEU 38 - HG3 GLU 62 far 0 72 0 - 9.6-11.8 H LEU 38 - HG2 GLU 62 far 0 72 0 - 9.7-13.2 Violated in 1 structures by 0.00 A. Peak 1608 from cnoeabs.peaks (7.74, 2.11, 36.95 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HG3 GLU 37 OK 100 100 100 100 1.6-3.0 6574/1.8=76, 6572/3.0=69...(26) Violated in 0 structures by 0.00 A. Peak 1609 from cnoeabs.peaks (3.71, 2.11, 36.95 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 37 + HG3 GLU 37 OK 100 100 100 100 2.7-3.7 3.9=81, 1602/1.8=67...(29) HA LEU 42 - HG3 GLU 37 far 0 100 0 - 9.9-12.4 Violated in 3 structures by 0.01 A. Peak 1610 from cnoeabs.peaks (1.98, 2.11, 36.95 ppm; 3.07 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 37 + HG3 GLU 37 OK 100 100 100 100 2.3-3.0 3.0=100 HB VAL 32 - HG3 GLU 37 far 0 63 0 - 4.6-6.8 HB2 GLU 35 - HG3 GLU 37 far 0 77 0 - 6.0-7.5 QE MET 74 - HG3 GLU 37 far 0 87 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 1611 from cnoeabs.peaks (2.13, 2.11, 36.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: HG3 GLU 37 + HG3 GLU 37 OK 96 96 - 100 Reference assignment not found: HB3 GLU 37 - HG3 GLU 37 Peak 1612 from cnoeabs.peaks (2.26, 2.11, 36.95 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 37 + HG3 GLU 37 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 1613 from cnoeabs.peaks (2.11, 2.11, 36.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 Peak 1614 from cnoeabs.peaks (7.53, 2.11, 36.95 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HG3 GLU 37 OK 100 100 100 100 2.1-4.4 6583/1.8=73...(22) Violated in 0 structures by 0.00 A. Peak 1615 from cnoeabs.peaks (7.53, 3.87, 58.30 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HA LEU 38 OK 100 100 100 100 2.7-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 1616 from cnoeabs.peaks (3.87, 3.87, 58.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + HA LEU 38 OK 100 100 - 100 Peak 1617 from cnoeabs.peaks (1.46, 3.87, 58.30 ppm; 3.38 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 38 + HA LEU 38 OK 100 100 100 100 2.5-3.0 3.0=100 HG LEU 38 + HA LEU 38 OK 99 100 100 99 2.1-3.8 3.7=78, 2.1/1621=32...(30) HG3 LYS 39 - HA LEU 38 far 0 97 0 - 5.3-7.1 HD2 LYS 40 - HA LEU 38 far 0 99 0 - 6.2-9.6 HG3 LYS 66 - HA LEU 38 far 0 61 0 - 6.9-10.8 HD3 LYS 40 - HA LEU 38 far 0 99 0 - 7.2-8.3 HG2 LYS 66 - HA LEU 38 far 0 65 0 - 7.5-11.8 Violated in 0 structures by 0.00 A. Peak 1618 from cnoeabs.peaks (2.07, 3.87, 58.30 ppm; 3.74 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LEU 38 + HA LEU 38 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 GLU 37 - HA LEU 38 far 6 63 10 - 3.1-6.5 HB3 GLU 35 - HA LEU 38 far 0 99 0 - 6.6-8.4 HB3 GLU 43 - HA LEU 38 far 0 99 0 - 7.8-10.2 HB2 MET 74 - HA LEU 38 far 0 99 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 1619 from cnoeabs.peaks (1.46, 3.87, 58.30 ppm; 3.38 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 38 + HA LEU 38 OK 100 100 100 100 2.5-3.0 3.0=100 * HG LEU 38 + HA LEU 38 OK 99 100 100 99 2.1-3.8 3.7=78, 2.1/1621=32...(30) HG3 LYS 39 - HA LEU 38 far 0 94 0 - 5.3-7.1 HD2 LYS 40 - HA LEU 38 far 0 100 0 - 6.2-9.6 HG3 LYS 66 - HA LEU 38 far 0 70 0 - 6.9-10.8 HD3 LYS 40 - HA LEU 38 far 0 100 0 - 7.2-8.3 HG2 LYS 66 - HA LEU 38 far 0 73 0 - 7.5-11.8 Violated in 0 structures by 0.00 A. Peak 1620 from cnoeabs.peaks (0.82, 3.87, 58.30 ppm; 3.07 A): 4 out of 9 assignments used, quality = 1.00: * QD2 LEU 38 + HA LEU 38 OK 97 100 100 97 1.9-4.0 3.8=51, 2.1/1619=27...(27) QG2 VAL 32 + HA LEU 38 OK 93 99 100 94 2.2-3.5 10162=55, 2.1/8934=31...(19) QD1 LEU 38 + HA LEU 38 OK 58 61 100 95 1.7-3.8 3.8=51, 2.1/1619=27...(28) QD1 LEU 70 + HA LEU 38 OK 31 100 60 52 3.8-6.5 10812/3.6=10...(15) QD2 LEU 70 - HA LEU 38 far 5 96 5 - 3.9-8.0 QG2 ILE 8 - HA LEU 38 far 0 65 0 - 5.9-6.9 QD1 ILE 76 - HA LEU 38 far 0 90 0 - 6.6-7.8 QG2 ILE 7 - HA LEU 38 far 0 87 0 - 7.6-8.7 QD2 LEU 57 - HA LEU 38 far 0 82 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 1621 from cnoeabs.peaks (0.86, 3.87, 58.30 ppm; 2.98 A): 3 out of 5 assignments used, quality = 1.00: * QD1 LEU 38 + HA LEU 38 OK 97 100 100 97 1.7-3.8 3.8=47, 1658/2.9=26...(32) QG2 VAL 32 + HA LEU 38 OK 71 79 100 90 2.2-3.5 10162=36, 2.1/8934=29...(18) QD2 LEU 38 + HA LEU 38 OK 58 61 100 94 1.9-4.0 3.8=47, 2.1/1619=25...(24) HG13 ILE 8 - HA LEU 38 far 0 82 0 - 5.1-7.1 QG2 ILE 76 - HA LEU 38 far 0 88 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 1622 from cnoeabs.peaks (8.08, 3.87, 58.30 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA LEU 38 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1623 from cnoeabs.peaks (7.82, 3.87, 58.30 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 41 + HA LEU 38 OK 100 100 100 100 3.2-4.2 6656/1890=65...(22) HE ARG 30 - HA LEU 38 far 3 70 5 - 6.1-10.5 H LYS 66 - HA LEU 38 far 0 91 0 - 8.7-11.2 H SER 9 - HA LEU 38 far 0 98 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1624 from cnoeabs.peaks (2.31, 3.87, 58.30 ppm; 4.51 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TYR 41 + HA LEU 38 OK 100 100 100 100 2.6-3.4 1.8/1890=79, 1882=60...(15) HG3 GLU 43 - HA LEU 38 far 0 99 0 - 7.8-8.2 HG3 GLU 44 - HA LEU 38 far 0 59 0 - 8.7-11.8 HB2 TYR 4 - HA LEU 38 far 0 88 0 - 9.5-11.2 HG2 GLU 63 - HA LEU 38 far 0 93 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 1625 from cnoeabs.peaks (2.64, 3.87, 58.30 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 41 + HA LEU 38 OK 100 100 100 100 4.2-5.0 1890=100, 1.8/1624=78...(18) HD2 ARG 30 - HA LEU 38 far 0 68 0 - 7.0-10.3 HG3 MET 74 - HA LEU 38 far 0 96 0 - 7.2-9.7 Violated in 18 structures by 0.24 A. Peak 1626 from cnoeabs.peaks (7.53, 1.46, 40.84 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.0-3.6 3.8=97, 1634/1.8=76...(33) Violated in 0 structures by 0.00 A. Peak 1627 from cnoeabs.peaks (3.87, 1.46, 40.84 ppm; 3.74 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 35 + HB2 LEU 38 OK 89 98 95 96 1.9-5.3 12057/1626=41...(33) HA ALA 67 + HB2 LEU 38 OK 70 92 100 76 2.8-4.5 1635/1.8=20, 1659/3.1=16...(25) HA ALA 71 - HB2 LEU 38 far 0 81 0 - 5.9-9.0 HA GLU 63 - HB2 LEU 38 far 0 57 0 - 6.1-8.3 HA LYS 40 - HB2 LEU 38 far 0 99 0 - 7.4-7.9 HA GLU 43 - HB2 LEU 38 far 0 99 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 1628 from cnoeabs.peaks (1.46, 1.46, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + HB2 LEU 38 OK 100 100 - 100 Peak 1629 from cnoeabs.peaks (2.07, 1.46, 40.84 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 38 + HB2 LEU 38 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 35 + HB2 LEU 38 OK 56 99 65 86 3.8-7.6 3.0/1627=16, 1661/3.1=13...(33) HG3 GLU 37 - HB2 LEU 38 far 6 63 10 - 4.1-7.7 HB2 MET 74 - HB2 LEU 38 far 0 99 0 - 8.4-10.7 HB3 GLU 43 - HB2 LEU 38 far 0 99 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 1630 from cnoeabs.peaks (1.46, 1.46, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 38 + HB2 LEU 38 OK 100 100 - 100 Reference assignment not found: HG LEU 38 - HB2 LEU 38 Peak 1631 from cnoeabs.peaks (0.82, 1.46, 40.84 ppm; 3.32 A): 5 out of 9 assignments used, quality = 1.00: * QD2 LEU 38 + HB2 LEU 38 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 70 + HB2 LEU 38 OK 77 100 100 77 1.9-4.6 1639/1.8=11...(34) QG2 VAL 32 + HB2 LEU 38 OK 69 99 75 93 3.4-5.1 10162/3.0=45...(22) QD1 LEU 38 + HB2 LEU 38 OK 61 61 100 100 2.0-3.2 3.1=100 QD2 LEU 70 + HB2 LEU 38 OK 32 96 45 75 2.2-6.4 10822/1671=11, ~10959=10...(35) QG2 ILE 8 - HB2 LEU 38 far 0 65 0 - 5.6-6.6 QD1 ILE 76 - HB2 LEU 38 far 0 90 0 - 6.7-8.8 QG2 ILE 7 - HB2 LEU 38 far 0 87 0 - 8.4-10.0 QD2 LEU 57 - HB2 LEU 38 far 0 82 0 - 9.0-11.3 Violated in 0 structures by 0.00 A. Peak 1632 from cnoeabs.peaks (0.86, 1.46, 40.84 ppm; 3.44 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 38 + HB2 LEU 38 OK 100 100 100 100 2.0-3.2 3.1=100 QG2 VAL 32 + HB2 LEU 38 OK 65 79 90 92 3.4-5.1 2.1/8944=37...(21) QD2 LEU 38 + HB2 LEU 38 OK 61 61 100 100 1.9-3.2 3.1=100 HG13 ILE 8 - HB2 LEU 38 far 0 82 0 - 5.1-7.8 QG2 ILE 76 - HB2 LEU 38 far 0 88 0 - 8.3-10.9 QD2 LEU 64 - HB2 LEU 38 far 0 100 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 1633 from cnoeabs.peaks (8.08, 1.46, 40.84 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HB2 LEU 38 OK 100 100 100 100 2.3-3.4 6599/1.8=93, 4.6=81...(25) Violated in 0 structures by 0.00 A. Peak 1634 from cnoeabs.peaks (7.53, 2.07, 40.84 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.4-3.5 3.8=93, 1626/1.8=72...(26) H ILE 76 - HB3 LEU 38 far 0 79 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 1635 from cnoeabs.peaks (3.87, 2.07, 40.84 ppm; 3.64 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.3-2.9 3.0=100 HA GLU 35 + HB3 LEU 38 OK 90 98 100 92 2.8-4.8 12057/1634=39...(27) HA ALA 67 + HB3 LEU 38 OK 68 92 100 74 2.4-4.3 1627/1.8=19, 1659/3.1=16...(22) HA ALA 71 - HB3 LEU 38 far 0 81 0 - 5.8-8.9 HA GLU 63 - HB3 LEU 38 far 0 57 0 - 6.2-8.8 HA LYS 40 - HB3 LEU 38 far 0 99 0 - 7.3-8.4 HA GLU 43 - HB3 LEU 38 far 0 99 0 - 8.8-11.5 Violated in 0 structures by 0.00 A. Peak 1636 from cnoeabs.peaks (1.46, 2.07, 40.84 ppm; 3.04 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LEU 38 + HB3 LEU 38 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 LYS 39 - HB3 LEU 38 poor 12 97 25 51 3.3-8.1 1713/6599=27, ~10550=9...(8) HG3 LYS 66 - HB3 LEU 38 far 3 61 5 - 4.5-9.3 HG2 LYS 66 - HB3 LEU 38 far 0 65 0 - 5.6-9.7 HG2 LYS 73 - HB3 LEU 38 far 0 63 0 - 8.1-13.0 HD2 LYS 40 - HB3 LEU 38 far 0 99 0 - 8.1-10.7 HD3 LYS 40 - HB3 LEU 38 far 0 99 0 - 8.7-9.8 HG LEU 64 - HB3 LEU 38 far 0 85 0 - 9.3-11.7 HB3 LEU 64 - HB3 LEU 38 far 0 68 0 - 9.5-11.6 HG12 ILE 7 - HB3 LEU 38 far 0 75 0 - 9.6-13.9 HG13 ILE 76 - HB3 LEU 38 far 0 93 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 1637 from cnoeabs.peaks (2.07, 2.07, 40.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 38 + HB3 LEU 38 OK 100 100 - 100 Peak 1638 from cnoeabs.peaks (1.46, 2.07, 40.84 ppm; 3.04 A): 2 out of 12 assignments used, quality = 1.00: * HG LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 LEU 38 + HB3 LEU 38 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 39 - HB3 LEU 38 poor 12 94 25 50 3.3-8.1 1713/6599=26, ~10550=9...(9) HG3 LYS 66 - HB3 LEU 38 far 3 70 5 - 4.5-9.3 HG2 LYS 66 - HB3 LEU 38 far 0 73 0 - 5.6-9.7 HG2 LYS 73 - HB3 LEU 38 far 0 71 0 - 8.1-13.0 HD2 LYS 40 - HB3 LEU 38 far 0 100 0 - 8.1-10.7 HD3 LYS 40 - HB3 LEU 38 far 0 100 0 - 8.7-9.8 HG LEU 64 - HB3 LEU 38 far 0 91 0 - 9.3-11.7 HB3 LEU 64 - HB3 LEU 38 far 0 75 0 - 9.5-11.6 HG12 ILE 7 - HB3 LEU 38 far 0 68 0 - 9.6-13.9 HG13 ILE 76 - HB3 LEU 38 far 0 88 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 1639 from cnoeabs.peaks (0.82, 2.07, 40.84 ppm; 3.32 A): 5 out of 9 assignments used, quality = 1.00: * QD2 LEU 38 + HB3 LEU 38 OK 100 100 100 100 1.9-3.2 3.1=100 QD1 LEU 38 + HB3 LEU 38 OK 61 61 100 100 2.5-3.2 3.1=100 QG2 VAL 32 + HB3 LEU 38 OK 60 99 65 92 2.3-5.2 10162/3.0=45, 10155=21...(21) QD1 LEU 70 + HB3 LEU 38 OK 48 100 65 74 1.8-5.2 1631/1.8=16...(25) QD2 LEU 70 + HB3 LEU 38 OK 37 96 55 71 1.8-7.2 ~10959=10, ~1631=9...(29) QG2 ILE 8 - HB3 LEU 38 far 10 65 15 - 4.7-7.3 QD1 ILE 76 - HB3 LEU 38 far 0 90 0 - 6.2-9.0 QG2 ILE 7 - HB3 LEU 38 far 0 87 0 - 7.4-10.4 QD2 LEU 57 - HB3 LEU 38 far 0 82 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 1640 from cnoeabs.peaks (0.86, 2.07, 40.84 ppm; 3.50 A): 4 out of 6 assignments used, quality = 1.00: * QD1 LEU 38 + HB3 LEU 38 OK 100 100 100 100 2.5-3.2 3.1=100 QD2 LEU 38 + HB3 LEU 38 OK 61 61 100 100 1.9-3.2 3.1=100 QG2 VAL 32 + HB3 LEU 38 OK 59 79 80 93 2.3-5.2 10162/3.0=36, ~8944=23...(21) HG13 ILE 8 + HB3 LEU 38 OK 25 82 40 77 4.0-7.6 2.1/12202=21, ~12201=16...(20) QG2 ILE 76 - HB3 LEU 38 far 0 88 0 - 8.0-11.1 QD2 LEU 64 - HB3 LEU 38 far 0 100 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 1641 from cnoeabs.peaks (8.08, 2.07, 40.84 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HB3 LEU 38 OK 100 100 100 100 2.4-3.9 6599=100, 1633/1.8=69...(20) H GLU 75 - HB3 LEU 38 far 0 100 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 1642 from cnoeabs.peaks (7.53, 1.46, 27.00 ppm; 4.16 A): 3 out of 6 assignments used, quality = 1.00: * H LEU 38 + HG LEU 38 OK 100 100 100 100 1.8-4.6 1634/3.0=68, 1626/3.0=67...(32) H ILE 52 + HG13 ILE 52 OK 48 50 100 95 1.8-4.6 5.1=55, 6862/1.8=41...(13) H ILE 76 + HG13 ILE 76 OK 39 39 100 100 3.1-3.7 4.5=77, 7256/1.8=65...(17) H ILE 52 - HG13 ILE 76 far 0 28 0 - 6.6-9.2 H ILE 76 - HG13 ILE 52 far 0 68 0 - 7.9-11.6 H ILE 76 - HG LEU 38 far 0 79 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 1643 from cnoeabs.peaks (3.87, 1.46, 27.00 ppm; 3.76 A): 7 out of 26 assignments used, quality = 1.00: * HA LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-3.8 3.7=100 HA GLU 35 + HG LEU 38 OK 93 98 100 95 2.5-5.2 10168/2.1=33...(31) HA ARG 91 + HG3 ARG 91 OK 83 83 100 100 3.1-3.4 4.0=84, 4016/1.8=44...(29) HA ALA 67 + HG LEU 38 OK 70 92 100 76 1.8-5.1 1659/2.1=21, 9524/2.1=16...(21) HA GLU 43 + HG13 ILE 76 OK 47 56 100 83 4.0-5.2 4045/1.8=25...(22) HB3 SER 49 + HG13 ILE 76 OK 33 51 75 88 3.6-10.2 9071/3.2=29, ~9065=24...(19) HB3 SER 49 + HG13 ILE 52 OK 21 84 25 99 4.1-8.1 9165/3.2=38, ~9066=31...(24) HA ALA 71 - HG13 ILE 76 poor 14 40 35 - 4.9-6.1 HA GLU 63 - HG LEU 38 far 9 57 15 - 4.5-8.2 HA ALA 71 - HG LEU 38 far 0 81 0 - 6.1-8.7 HB2 SER 85 - HG3 ARG 91 far 0 64 0 - 6.3-7.9 HA ALA 89 - HG3 ARG 91 far 0 67 0 - 6.4-6.6 HA GLU 63 - HG LEU 64 far 0 39 0 - 6.6-7.1 HA ALA 89 - HG LEU 29 far 0 53 0 - 7.2-9.6 HA2 GLY 101 - HG13 ILE 52 far 0 91 0 - 7.2-12.3 HA ALA 67 - HG LEU 64 far 0 69 0 - 7.2-8.3 HA LYS 40 - HG LEU 38 far 0 99 0 - 7.3-9.8 HA GLU 43 - HG13 ILE 52 far 0 90 0 - 7.6-10.9 HA3 GLY 101 - HG13 ILE 52 far 0 82 0 - 8.1-12.4 HA LYS 94 - HG3 ARG 91 far 0 87 0 - 8.4-9.8 HA2 GLY 100 - HG13 ILE 52 far 0 91 0 - 8.5-13.3 HA LYS 40 - HG13 ILE 76 far 0 56 0 - 8.6-10.0 HA LYS 12 - HG LEU 29 far 0 63 0 - 9.2-11.1 HA ALA 71 - HG13 ILE 52 far 0 70 0 - 9.5-12.8 HA LYS 94 - HG LEU 29 far 0 71 0 - 9.7-13.1 HA GLU 43 - HG LEU 38 far 0 99 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1644 from cnoeabs.peaks (1.46, 1.46, 27.00 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG LEU 38 + HG LEU 38 OK 100 100 - 100 HG13 ILE 52 + HG13 ILE 52 OK 93 93 - 100 HG3 ARG 91 + HG3 ARG 91 OK 89 89 - 100 HG LEU 64 + HG LEU 64 OK 62 62 - 100 HG LEU 29 + HG LEU 29 OK 62 62 - 100 HG13 ILE 76 + HG13 ILE 76 OK 49 49 - 100 Reference assignment not found: HB2 LEU 38 - HG LEU 38 Peak 1645 from cnoeabs.peaks (2.07, 1.46, 27.00 ppm; 3.69 A): 3 out of 31 assignments used, quality = 1.00: * HB3 LEU 38 + HG LEU 38 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 GLU 35 + HG LEU 38 OK 60 99 65 92 4.3-7.1 1629/3.0=22, 1661/2.1=21...(34) HB2 MET 74 + HG13 ILE 76 OK 53 55 100 96 2.5-4.8 9664/1.8=42, 9645/4.5=30...(25) HG12 ILE 93 - HG LEU 29 poor 15 42 35 - 4.2-7.6 HB3 GLU 48 - HG13 ILE 52 far 11 74 15 - 4.2-9.0 HG3 GLU 104 - HG3 ARG 91 far 4 70 5 - 5.1-20.9 HG3 GLU 37 - HG LEU 38 far 3 63 5 - 5.0-8.6 HB2 MET 21 - HG LEU 29 far 0 60 0 - 5.2-9.6 QE MET 21 - HG3 ARG 91 far 0 69 0 - 5.6-7.2 HB3 PRO 86 - HG3 ARG 91 far 0 59 0 - 5.8-6.3 QE MET 21 - HG LEU 29 far 0 55 0 - 6.1-9.6 HB3 GLU 88 - HG3 ARG 91 far 0 88 0 - 6.3-6.5 HG3 GLU 104 - HG LEU 64 far 0 62 0 - 6.4-18.7 HB2 MET 21 - HG3 ARG 91 far 0 74 0 - 6.4-8.9 HB3 GLU 43 - HG13 ILE 76 far 0 56 0 - 6.7-8.1 HB3 GLU 48 - HG13 ILE 76 far 0 43 0 - 7.3-10.8 HB2 GLU 23 - HG LEU 29 far 0 68 0 - 7.5-9.9 HG2 GLU 28 - HG LEU 29 far 0 71 0 - 7.7-9.9 HB3 GLU 62 - HG LEU 64 far 0 73 0 - 7.9-8.9 HG12 ILE 93 - HG3 ARG 91 far 0 54 0 - 8.1-9.5 HG3 GLU 28 - HG LEU 29 far 0 71 0 - 8.1-9.9 HB2 GLU 16 - HG LEU 29 far 0 73 0 - 8.4-10.4 HB2 MET 74 - HG13 ILE 52 far 0 90 0 - 8.8-13.2 HG3 GLU 28 - HG13 ILE 52 far 0 90 0 - 8.8-14.4 HB3 GLU 43 - HG LEU 38 far 0 99 0 - 9.3-12.7 HB2 MET 74 - HG LEU 38 far 0 99 0 - 9.3-11.6 HB3 LEU 38 - HG LEU 64 far 0 81 0 - 9.3-11.7 HG2 GLU 28 - HG13 ILE 52 far 0 90 0 - 9.5-13.8 HB3 LEU 38 - HG13 ILE 76 far 0 58 0 - 9.7-13.0 HB3 GLU 62 - HG LEU 38 far 0 96 0 - 9.8-13.6 HB3 PRO 86 - HG LEU 29 far 0 46 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1646 from cnoeabs.peaks (1.46, 1.46, 27.00 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG LEU 38 + HG LEU 38 OK 100 100 - 100 HG13 ILE 52 + HG13 ILE 52 OK 93 93 - 100 HG3 ARG 91 + HG3 ARG 91 OK 88 88 - 100 HG LEU 64 + HG LEU 64 OK 68 68 - 100 HG LEU 29 + HG LEU 29 OK 57 57 - 100 HG13 ILE 76 + HG13 ILE 76 OK 45 45 - 100 Peak 1647 from cnoeabs.peaks (0.82, 1.46, 27.00 ppm; 3.27 A): 7 out of 42 assignments used, quality = 1.00: * QD2 LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 32 + HG LEU 38 OK 87 99 100 87 2.0-4.8 10162/3.7=36...(17) QD2 LEU 2 + HG13 ILE 52 OK 86 87 100 99 2.3-4.5 12040=67, 2.1/12039=60...(29) QD1 LEU 70 + HG LEU 38 OK 69 100 95 73 2.0-5.1 2.1/10959=13, 1654=12...(28) QD1 LEU 38 + HG LEU 38 OK 61 61 100 100 2.1-2.1 2.1=100 QD1 ILE 76 + HG13 ILE 76 OK 46 46 100 100 2.1-2.1 2.1=100 QG2 ILE 7 + HG LEU 29 OK 23 57 50 81 4.0-5.3 255/2.1=21, 255/2.1=15...(20) QG2 ILE 15 - HG LEU 29 poor 18 68 45 59 4.0-5.7 ~8689=14, 10501/2.1=13...(15) QD2 LEU 70 - HG LEU 38 far 10 96 10 - 3.2-6.8 QG2 ILE 8 - HG LEU 38 far 3 65 5 - 4.7-6.6 QD2 LEU 57 - HG LEU 29 far 3 53 5 - 4.8-7.2 QD1 ILE 76 - HG13 ILE 52 far 0 78 0 - 5.2-8.2 QG2 VAL 32 - HG LEU 29 far 0 71 0 - 6.0-8.1 QD1 ILE 76 - HG LEU 38 far 0 90 0 - 6.7-8.8 QD2 LEU 103 - HG LEU 64 far 0 80 0 - 6.7-19.8 QD1 LEU 57 - HG3 ARG 91 far 0 88 0 - 6.8-8.5 QD2 LEU 38 - HG LEU 64 far 0 81 0 - 7.0-9.0 QG2 ILE 7 - HG LEU 38 far 0 87 0 - 7.1-10.0 QD1 LEU 38 - HG LEU 64 far 0 43 0 - 7.2-9.2 QD1 LEU 57 - HG LEU 29 far 0 73 0 - 7.2-8.7 QD1 LEU 57 - HG LEU 64 far 0 80 0 - 7.5-8.7 QG2 ILE 8 - HG LEU 64 far 0 46 0 - 7.7-8.6 QD2 LEU 57 - HG LEU 64 far 0 60 0 - 7.7-9.7 QD2 LEU 2 - HG13 ILE 76 far 0 53 0 - 7.7-11.4 QD1 LEU 38 - HG13 ILE 76 far 0 29 0 - 7.9-10.9 QD2 LEU 38 - HG LEU 29 far 0 73 0 - 7.9-12.1 QD1 LEU 38 - HG LEU 29 far 0 38 0 - 8.0-13.0 QD2 LEU 57 - HG LEU 38 far 0 82 0 - 8.4-11.3 QD1 LEU 70 - HG LEU 64 far 0 79 0 - 8.5-10.1 QD2 LEU 57 - HG3 ARG 91 far 0 67 0 - 8.5-9.0 QD2 LEU 38 - HG13 ILE 76 far 0 58 0 - 8.5-12.0 QD2 LEU 70 - HG LEU 64 far 0 74 0 - 8.5-9.9 QD2 LEU 70 - HG13 ILE 76 far 0 52 0 - 8.6-10.7 QD2 LEU 103 - HG3 ARG 91 far 0 89 0 - 8.7-17.2 QD1 LEU 70 - HG13 ILE 76 far 0 57 0 - 8.8-10.1 QD2 LEU 103 - HG13 ILE 52 far 0 92 0 - 8.8-14.4 QG2 ILE 8 - HG LEU 29 far 0 41 0 - 9.0-10.7 QG2 VAL 32 - HG LEU 64 far 0 78 0 - 9.1-10.7 QD1 LEU 57 - HG LEU 38 far 0 100 0 - 9.1-13.0 QD2 LEU 103 - HG13 ILE 76 far 0 57 0 - 9.7-17.6 QD1 LEU 38 - HG13 ILE 52 far 0 52 0 - 9.8-14.7 QG2 ILE 15 - HG LEU 38 far 0 98 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 1648 from cnoeabs.peaks (0.86, 1.46, 27.00 ppm; 3.42 A): 7 out of 34 assignments used, quality = 1.00: * QD1 LEU 38 + HG LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 64 + HG LEU 64 OK 80 80 100 100 2.1-2.1 2.1=100 QD1 LEU 2 + HG13 ILE 52 OK 78 78 100 100 1.9-4.3 12039=85, 2.1/12040=52...(33) QG2 VAL 32 + HG LEU 38 OK 69 79 100 88 2.0-4.8 2.1/8944=35...(17) QD2 LEU 38 + HG LEU 38 OK 61 61 100 100 2.1-2.1 2.1=100 QG2 ILE 76 + HG13 ILE 76 OK 45 45 100 100 2.2-2.5 3.2=100 QG2 ILE 76 + HG13 ILE 52 OK 42 77 70 79 3.1-6.3 10877/2.1=22, 3430=15...(24) HG13 ILE 8 - HG LEU 38 poor 16 82 20 - 4.0-7.1 HG13 ILE 7 - HG LEU 29 far 0 45 0 - 5.7-6.6 QG2 VAL 32 - HG LEU 29 far 0 51 0 - 6.0-8.1 QD1 LEU 103 - HG LEU 64 far 0 80 0 - 6.5-18.9 QD2 LEU 103 - HG LEU 64 far 0 49 0 - 6.7-19.8 QD1 LEU 57 - HG3 ARG 91 far 0 57 0 - 6.8-8.5 QD2 LEU 38 - HG LEU 64 far 0 43 0 - 7.0-9.0 QD1 LEU 38 - HG LEU 64 far 0 81 0 - 7.2-9.2 QD1 LEU 57 - HG LEU 29 far 0 45 0 - 7.2-8.7 QD1 LEU 57 - HG LEU 64 far 0 50 0 - 7.5-8.7 QD1 LEU 103 - HG3 ARG 91 far 0 89 0 - 7.6-16.8 QD1 LEU 38 - HG13 ILE 76 far 0 58 0 - 7.9-10.9 QD2 LEU 38 - HG LEU 29 far 0 38 0 - 7.9-12.1 QD1 LEU 2 - HG13 ILE 76 far 0 46 0 - 7.9-10.2 QD1 LEU 38 - HG LEU 29 far 0 73 0 - 8.0-13.0 QD2 LEU 64 - HG LEU 38 far 0 100 0 - 8.2-11.7 QG2 ILE 76 - HG LEU 38 far 0 88 0 - 8.2-10.6 HG13 ILE 8 - HG LEU 29 far 0 53 0 - 8.4-11.5 QD2 LEU 38 - HG13 ILE 76 far 0 29 0 - 8.5-12.0 QD2 LEU 103 - HG3 ARG 91 far 0 56 0 - 8.7-17.2 QD2 LEU 103 - HG13 ILE 52 far 0 59 0 - 8.8-14.4 HG13 ILE 8 - HG LEU 64 far 0 60 0 - 8.8-10.4 QG2 VAL 32 - HG LEU 64 far 0 57 0 - 9.1-10.7 QD1 LEU 57 - HG LEU 38 far 0 71 0 - 9.1-13.0 QD2 LEU 103 - HG13 ILE 76 far 0 33 0 - 9.7-17.6 QD1 LEU 38 - HG13 ILE 52 far 0 93 0 - 9.8-14.7 QD1 LEU 103 - HG LEU 29 far 0 73 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. Peak 1649 from cnoeabs.peaks (8.08, 1.46, 27.00 ppm; 5.43 A): 3 out of 9 assignments used, quality = 1.00: * H LYS 39 + HG LEU 38 OK 100 100 100 100 2.1-5.0 6599/3.0=96, 1633/3.0=87...(26) H GLU 75 + HG13 ILE 76 OK 55 57 100 97 4.4-5.8 7247/4.5=77, 7234/3.8=37...(13) H LYS 90 + HG3 ARG 91 OK 48 50 100 95 4.1-4.5 7431/4.8=49...(22) H GLU 17 - HG LEU 29 far 0 62 0 - 7.2-9.7 H LYS 90 - HG LEU 29 far 0 39 0 - 7.4-10.3 H ILE 15 - HG LEU 29 far 0 71 0 - 7.9-9.3 H GLU 17 - HG3 ARG 91 far 0 77 0 - 9.3-11.2 H LYS 39 - HG13 ILE 76 far 0 58 0 - 9.8-11.0 H SER 102 - HG13 ILE 52 far 0 76 0 - 9.9-14.5 Violated in 0 structures by 0.00 A. Peak 1650 from cnoeabs.peaks (7.53, 0.82, 25.55 ppm; 5.39 A): 2 out of 5 assignments used, quality = 1.00: * H LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.1-4.4 4.5=100 H LEU 38 + QD1 LEU 70 OK 64 67 100 95 3.4-5.8 10547/8952=30...(22) H ILE 76 - QD2 LEU 38 far 0 79 0 - 8.2-11.7 H ILE 76 - QD1 LEU 70 far 0 46 0 - 8.3-9.2 H LEU 14 - QD2 LEU 57 far 0 53 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 1651 from cnoeabs.peaks (3.87, 0.82, 25.55 ppm; 3.24 A): 7 out of 25 assignments used, quality = 1.00: * HA LEU 38 + QD2 LEU 38 OK 98 100 100 98 1.9-4.0 3.8=60, 1621/2.1=31...(28) HA GLU 35 + QD2 LEU 38 OK 85 98 100 87 1.9-4.7 10168/2.1=24...(25) HA ALA 67 + QD2 LEU 38 OK 70 92 100 76 1.9-4.6 2.1/9526=20, 9524=19...(21) HA GLU 35 + QD1 LEU 70 OK 50 62 100 81 1.9-4.2 9541/2.1=19, 10609=18...(28) HA ALA 67 + QD1 LEU 70 OK 48 56 100 86 2.0-4.1 9524=22, 9541/2.1=20...(20) HA ALA 89 + QD2 LEU 57 OK 36 46 100 79 3.6-3.9 10698/2.1=23, 9929=21...(18) HA LEU 38 + QD1 LEU 70 OK 23 67 60 58 3.8-6.5 3.6/6601=11, 3.0/1631=11...(16) HA GLU 63 - QD2 LEU 38 poor 14 57 80 30 3.8-6.8 3.0/10746=8, 10745=6...(9) HA ALA 71 - QD1 LEU 70 far 0 47 0 - 5.5-5.9 HA ALA 71 - QD2 LEU 38 far 0 81 0 - 5.5-8.8 HA GLU 63 - QD1 LEU 70 far 0 31 0 - 5.9-7.9 HA LYS 40 - QD1 LEU 70 far 0 65 0 - 6.0-7.9 HA LYS 40 - QD2 LEU 38 far 0 99 0 - 7.0-8.5 HA3 GLY 101 - QD2 LEU 57 far 0 55 0 - 7.5-13.4 HA GLU 43 - QD1 LEU 70 far 0 65 0 - 7.7-9.3 HA ARG 91 - QD2 LEU 57 far 0 59 0 - 7.8-8.4 HA LYS 94 - QD2 LEU 57 far 0 62 0 - 8.0-8.6 HA2 GLY 101 - QD2 LEU 57 far 0 62 0 - 8.0-13.8 HA GLU 43 - QD2 LEU 38 far 0 99 0 - 8.3-10.8 HB2 SER 102 - QD2 LEU 57 far 0 54 0 - 8.9-16.0 HA LEU 38 - QD2 LEU 57 far 0 64 0 - 9.1-10.3 HA ALA 67 - QD2 LEU 57 far 0 54 0 - 9.1-10.1 HB2 SER 85 - QD2 LEU 57 far 0 44 0 - 9.6-10.3 HA GLU 63 - QD2 LEU 57 far 0 30 0 - 9.7-10.5 HA2 GLY 100 - QD2 LEU 57 far 0 62 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 1652 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 3.02 A): 6 out of 41 assignments used, quality = 1.00: HG LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 * HB2 LEU 38 + QD2 LEU 38 OK 98 100 100 98 1.9-3.2 3.1=90, 1660/2.1=31...(23) HG3 LYS 39 + QD1 LEU 70 OK 44 62 85 83 1.9-4.9 1.8/10569=28...(27) HG LEU 38 + QD1 LEU 70 OK 41 67 95 64 2.0-5.1 1647=11, 3.0/1631=10...(24) HB2 LEU 38 + QD1 LEU 70 OK 31 67 65 72 1.9-4.6 1631=17, 1.8/1639=9...(30) HG3 LYS 66 + QD2 LEU 38 OK 21 61 55 62 2.5-7.8 1.8/9517=20, 9517=18...(19) HG12 ILE 7 - QD2 LEU 57 poor 19 41 50 90 3.5-4.8 8284/3.1=18, ~8285=16...(26) HG2 LYS 66 - QD2 LEU 38 poor 16 65 25 - 2.9-8.4 HG2 LYS 66 - QD1 LEU 70 far 6 37 15 - 3.5-7.0 HG3 LYS 66 - QD1 LEU 70 far 5 34 15 - 2.1-6.5 HG2 LYS 73 - QD1 LEU 70 far 2 35 5 - 4.3-7.3 HG3 LYS 39 - QD2 LEU 38 far 0 97 0 - 4.7-7.8 QB ALA 22 - QD2 LEU 57 far 0 54 0 - 4.7-6.6 HG LEU 29 - QD2 LEU 57 far 0 54 0 - 4.8-7.2 HB3 LEU 64 - QD2 LEU 57 far 0 36 0 - 6.0-8.3 HB3 LEU 64 - QD2 LEU 38 far 0 68 0 - 6.9-8.5 HG LEU 64 - QD2 LEU 38 far 0 85 0 - 7.0-9.0 HB2 LEU 27 - QD2 LEU 57 far 0 64 0 - 7.1-8.6 HD3 LYS 40 - QD1 LEU 70 far 0 64 0 - 7.1-9.3 HD2 LYS 40 - QD2 LEU 38 far 0 99 0 - 7.3-10.4 HB2 ARG 91 - QD2 LEU 57 far 0 41 0 - 7.3-8.4 HG12 ILE 7 - QD2 LEU 38 far 0 75 0 - 7.5-9.6 HG LEU 64 - QD2 LEU 57 far 0 48 0 - 7.7-9.7 HD2 LYS 40 - QD1 LEU 70 far 0 65 0 - 7.7-9.6 HD3 LYS 40 - QD2 LEU 38 far 0 99 0 - 7.8-9.8 HG2 LYS 73 - QD2 LEU 38 far 0 63 0 - 7.9-11.3 HG LEU 29 - QD2 LEU 38 far 0 92 0 - 7.9-12.1 HG LEU 38 - QD2 LEU 57 far 0 64 0 - 8.4-11.3 HD2 LYS 82 - QD2 LEU 57 far 0 64 0 - 8.4-10.5 HG LEU 64 - QD1 LEU 70 far 0 51 0 - 8.5-10.1 HG3 ARG 91 - QD2 LEU 57 far 0 64 0 - 8.5-9.0 HG13 ILE 76 - QD2 LEU 38 far 0 93 0 - 8.5-12.0 HG3 LYS 53 - QD2 LEU 57 far 0 60 0 - 8.7-10.9 HG13 ILE 76 - QD1 LEU 70 far 0 57 0 - 8.8-10.1 HB2 LEU 38 - QD2 LEU 57 far 0 64 0 - 9.0-11.3 HD2 LYS 82 - QD2 LEU 38 far 0 100 0 - 9.0-12.3 HG2 LYS 20 - QD2 LEU 57 far 0 64 0 - 9.1-11.4 HB3 LEU 64 - QD1 LEU 70 far 0 38 0 - 9.1-10.9 QB ALA 22 - QD2 LEU 38 far 0 92 0 - 9.4-12.0 HG2 LYS 53 - QD2 LEU 57 far 0 62 0 - 9.4-11.3 HD2 LYS 53 - QD2 LEU 57 far 0 64 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 1653 from cnoeabs.peaks (2.07, 0.82, 25.55 ppm; 3.46 A): 4 out of 21 assignments used, quality = 1.00: * HB3 LEU 38 + QD2 LEU 38 OK 100 100 100 100 1.9-3.2 3.1=100 HB3 GLU 35 + QD2 LEU 38 OK 74 99 85 88 3.6-6.4 1629/3.1=19, 1661/2.1=19...(32) HB3 GLU 35 + QD1 LEU 70 OK 55 65 100 84 1.9-3.9 12058/2.1=17, 10420=13...(23) HB3 LEU 38 + QD1 LEU 70 OK 42 67 80 78 1.8-5.2 1.8/1631=17, 1639=16...(27) HG3 GLU 37 - QD2 LEU 38 poor 19 63 40 76 4.0-6.6 3.0/8837=22, 1614/4.5=14...(20) HG12 ILE 93 - QD2 LEU 57 poor 18 36 95 53 2.7-5.0 ~2630=9, ~2628=8...(14) HG3 GLU 37 - QD1 LEU 70 far 0 35 0 - 5.2-8.3 QE MET 21 - QD2 LEU 57 far 0 47 0 - 6.1-7.6 HB3 GLU 88 - QD2 LEU 57 far 0 64 0 - 6.2-7.0 HB2 MET 74 - QD1 LEU 70 far 0 64 0 - 6.3-8.1 HB2 MET 21 - QD2 LEU 57 far 0 52 0 - 6.5-8.0 HG3 GLU 104 - QD2 LEU 57 far 0 48 0 - 6.6-15.5 HB3 GLU 62 - QD2 LEU 38 far 0 96 0 - 7.4-11.3 HB3 GLU 43 - QD1 LEU 70 far 0 65 0 - 7.6-9.1 HB2 MET 74 - QD2 LEU 38 far 0 99 0 - 7.7-10.7 HB3 GLU 43 - QD2 LEU 38 far 0 99 0 - 8.3-11.1 HB2 GLU 99 - QD2 LEU 57 far 0 44 0 - 8.6-11.4 HB3 GLU 99 - QD2 LEU 57 far 0 36 0 - 8.7-12.1 HB3 LEU 38 - QD2 LEU 57 far 0 64 0 - 8.9-10.7 HB3 PRO 86 - QD2 LEU 57 far 0 40 0 - 8.9-9.8 HB3 GLU 62 - QD1 LEU 70 far 0 60 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 1654 from cnoeabs.peaks (1.46, 0.82, 25.55 ppm; 3.02 A): 6 out of 41 assignments used, quality = 1.00: * HG LEU 38 + QD2 LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 38 + QD2 LEU 38 OK 98 100 100 98 1.9-3.2 3.1=90, 1662/2.1=31...(23) HG LEU 38 + QD1 LEU 70 OK 41 67 95 65 2.0-5.1 1647=11, 3.0/1631=10...(24) HG3 LYS 39 + QD1 LEU 70 OK 41 58 85 83 1.9-4.9 1.8/10569=28...(27) HB2 LEU 38 + QD1 LEU 70 OK 31 67 65 72 1.9-4.6 1631=17, 1.8/1639=9...(30) HG3 LYS 66 + QD2 LEU 38 OK 24 70 55 64 2.5-7.8 9517=21, 1.8/9517=20...(19) HG2 LYS 66 - QD2 LEU 38 poor 18 73 25 - 2.9-8.4 HG12 ILE 7 - QD2 LEU 57 poor 18 36 50 - 3.5-4.8 HG2 LYS 66 - QD1 LEU 70 far 6 42 15 - 3.5-7.0 HG3 LYS 66 - QD1 LEU 70 far 6 39 15 - 2.1-6.5 HG2 LYS 73 - QD1 LEU 70 far 2 41 5 - 4.3-7.3 HG3 LYS 39 - QD2 LEU 38 far 0 94 0 - 4.7-7.8 QB ALA 22 - QD2 LEU 57 far 0 49 0 - 4.7-6.6 HG LEU 29 - QD2 LEU 57 far 0 49 0 - 4.8-7.2 HB3 LEU 64 - QD2 LEU 57 far 0 41 0 - 6.0-8.3 HB3 LEU 64 - QD2 LEU 38 far 0 75 0 - 6.9-8.5 HG LEU 64 - QD2 LEU 38 far 0 91 0 - 7.0-9.0 HB2 LEU 27 - QD2 LEU 57 far 0 64 0 - 7.1-8.6 HD3 LYS 40 - QD1 LEU 70 far 0 66 0 - 7.1-9.3 HD2 LYS 40 - QD2 LEU 38 far 0 100 0 - 7.3-10.4 HB2 ARG 91 - QD2 LEU 57 far 0 46 0 - 7.3-8.4 HG12 ILE 7 - QD2 LEU 38 far 0 68 0 - 7.5-9.6 HG LEU 64 - QD2 LEU 57 far 0 53 0 - 7.7-9.7 HD2 LYS 40 - QD1 LEU 70 far 0 66 0 - 7.7-9.6 HD3 LYS 40 - QD2 LEU 38 far 0 100 0 - 7.8-9.8 HG2 LYS 73 - QD2 LEU 38 far 0 71 0 - 7.9-11.3 HG LEU 29 - QD2 LEU 38 far 0 87 0 - 7.9-12.1 HG LEU 38 - QD2 LEU 57 far 0 64 0 - 8.4-11.3 HD2 LYS 82 - QD2 LEU 57 far 0 64 0 - 8.4-10.5 HG LEU 64 - QD1 LEU 70 far 0 55 0 - 8.5-10.1 HG3 ARG 91 - QD2 LEU 57 far 0 63 0 - 8.5-9.0 HG13 ILE 76 - QD2 LEU 38 far 0 88 0 - 8.5-12.0 HG3 LYS 53 - QD2 LEU 57 far 0 62 0 - 8.7-10.9 HG13 ILE 76 - QD1 LEU 70 far 0 53 0 - 8.8-10.1 HB2 LEU 38 - QD2 LEU 57 far 0 64 0 - 9.0-11.3 HD2 LYS 82 - QD2 LEU 38 far 0 100 0 - 9.0-12.3 HG2 LYS 20 - QD2 LEU 57 far 0 64 0 - 9.1-11.4 HB3 LEU 64 - QD1 LEU 70 far 0 43 0 - 9.1-10.9 QB ALA 22 - QD2 LEU 38 far 0 87 0 - 9.4-12.0 HG2 LYS 53 - QD2 LEU 57 far 0 64 0 - 9.4-11.3 HD2 LYS 53 - QD2 LEU 57 far 0 64 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 1655 from cnoeabs.peaks (0.82, 0.82, 25.55 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD2 LEU 38 + QD2 LEU 38 OK 100 100 - 100 QD1 LEU 70 + QD1 LEU 70 OK 66 66 - 100 QD2 LEU 57 + QD2 LEU 57 OK 46 46 - 100 Peak 1656 from cnoeabs.peaks (0.86, 0.82, 25.55 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: QD2 LEU 38 + QD2 LEU 38 OK 61 61 - 100 Reference assignment not found: QD1 LEU 38 - QD2 LEU 38 Peak 1657 from cnoeabs.peaks (8.08, 0.82, 25.55 ppm; 5.07 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 39 + QD2 LEU 38 OK 100 100 100 100 3.7-4.6 6599/3.1=89, 1633/3.1=78...(22) H LYS 39 + QD1 LEU 70 OK 67 67 100 100 2.0-4.4 ~10822=57, 3.0/8952=42...(33) H LYS 90 - QD2 LEU 57 poor 16 34 90 52 5.8-6.6 3.6/9929=28, 4.5/9926=18...(8) H GLU 75 - QD1 LEU 70 far 0 66 0 - 7.5-8.7 H SER 102 - QD2 LEU 57 far 0 49 0 - 7.8-13.4 H ILE 15 - QD2 LEU 57 far 0 62 0 - 7.9-9.3 H GLU 17 - QD2 LEU 57 far 0 54 0 - 9.0-10.6 H GLU 75 - QD2 LEU 38 far 0 100 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 1658 from cnoeabs.peaks (7.53, 0.86, 23.57 ppm; 4.45 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 38 + QD1 LEU 38 OK 100 100 100 100 3.0-4.1 4.5=97, 1634/3.1=74...(31) H ILE 76 - QD1 LEU 38 far 0 79 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 1659 from cnoeabs.peaks (3.87, 0.86, 23.57 ppm; 3.09 A): 3 out of 7 assignments used, quality = 1.00: * HA LEU 38 + QD1 LEU 38 OK 98 100 100 98 1.7-3.8 3.8=52, 2.9/1658=29...(32) HA GLU 35 + QD1 LEU 38 OK 74 98 90 84 3.0-4.8 10168=24, 12057/1658=22...(25) HA ALA 67 + QD1 LEU 38 OK 58 92 100 63 1.8-3.8 9524/2.1=11, 1635/3.1=10...(22) HA ALA 71 - QD1 LEU 38 lone 2 81 25 10 4.0-7.9 ~3165=2, 9539/12070=2...(6) HA GLU 63 - QD1 LEU 38 far 0 57 0 - 4.9-7.6 HA LYS 40 - QD1 LEU 38 far 0 99 0 - 6.1-8.3 HA GLU 43 - QD1 LEU 38 far 0 99 0 - 7.2-10.2 Violated in 0 structures by 0.00 A. Peak 1660 from cnoeabs.peaks (1.46, 0.86, 23.57 ppm; 3.01 A): 2 out of 16 assignments used, quality = 1.00: HG LEU 38 + QD1 LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 * HB2 LEU 38 + QD1 LEU 38 OK 98 100 100 98 2.0-3.2 3.1=89, 1626/1658=23...(25) HG3 LYS 66 - QD1 LEU 38 far 6 61 10 - 3.0-8.0 HG3 LYS 39 - QD1 LEU 38 far 5 97 5 - 2.4-7.3 HG2 LYS 66 - QD1 LEU 38 far 3 65 5 - 4.3-8.4 HG2 LYS 73 - QD1 LEU 38 far 0 63 0 - 6.2-11.0 HB3 LEU 64 - QD1 LEU 38 far 0 68 0 - 6.5-9.5 HG12 ILE 7 - QD1 LEU 38 far 0 75 0 - 7.2-11.2 HD2 LYS 40 - QD1 LEU 38 far 0 99 0 - 7.2-10.2 HG LEU 64 - QD1 LEU 38 far 0 85 0 - 7.2-9.2 HD3 LYS 40 - QD1 LEU 38 far 0 99 0 - 7.6-9.0 HG13 ILE 76 - QD1 LEU 38 far 0 93 0 - 7.9-10.9 HG LEU 29 - QD1 LEU 38 far 0 92 0 - 8.0-13.0 QB ALA 22 - QD1 LEU 38 far 0 92 0 - 9.5-12.2 HG13 ILE 52 - QD1 LEU 38 far 0 100 0 - 9.8-14.7 HD2 LYS 82 - QD1 LEU 38 far 0 100 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1661 from cnoeabs.peaks (2.07, 0.86, 23.57 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 38 + QD1 LEU 38 OK 100 100 100 100 2.5-3.2 3.1=100 HB3 GLU 35 + QD1 LEU 38 OK 45 99 50 91 3.6-6.8 3.0/10168=28...(31) HG3 GLU 37 - QD1 LEU 38 far 3 63 5 - 3.9-7.2 HB2 MET 74 - QD1 LEU 38 far 0 99 0 - 5.9-10.2 HB3 GLU 43 - QD1 LEU 38 far 0 99 0 - 7.3-10.1 HB3 GLU 62 - QD1 LEU 38 far 0 96 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 1662 from cnoeabs.peaks (1.46, 0.86, 23.57 ppm; 3.01 A): 2 out of 16 assignments used, quality = 1.00: * HG LEU 38 + QD1 LEU 38 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 38 + QD1 LEU 38 OK 98 100 100 98 2.0-3.2 3.1=89, 1626/1658=23...(25) HG3 LYS 66 - QD1 LEU 38 far 7 70 10 - 3.0-8.0 HG3 LYS 39 - QD1 LEU 38 far 5 94 5 - 2.4-7.3 HG2 LYS 66 - QD1 LEU 38 far 4 73 5 - 4.3-8.4 HG2 LYS 73 - QD1 LEU 38 far 0 71 0 - 6.2-11.0 HB3 LEU 64 - QD1 LEU 38 far 0 75 0 - 6.5-9.5 HG12 ILE 7 - QD1 LEU 38 far 0 68 0 - 7.2-11.2 HD2 LYS 40 - QD1 LEU 38 far 0 100 0 - 7.2-10.2 HG LEU 64 - QD1 LEU 38 far 0 91 0 - 7.2-9.2 HD3 LYS 40 - QD1 LEU 38 far 0 100 0 - 7.6-9.0 HG13 ILE 76 - QD1 LEU 38 far 0 88 0 - 7.9-10.9 HG LEU 29 - QD1 LEU 38 far 0 87 0 - 8.0-13.0 QB ALA 22 - QD1 LEU 38 far 0 87 0 - 9.5-12.2 HG13 ILE 52 - QD1 LEU 38 far 0 100 0 - 9.8-14.7 HD2 LYS 82 - QD1 LEU 38 far 0 100 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 1663 from cnoeabs.peaks (0.82, 0.86, 23.57 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: QD1 LEU 38 + QD1 LEU 38 OK 61 61 - 100 Reference assignment not found: QD2 LEU 38 - QD1 LEU 38 Peak 1664 from cnoeabs.peaks (0.86, 0.86, 23.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + QD1 LEU 38 OK 100 100 - 100 Peak 1665 from cnoeabs.peaks (8.08, 0.86, 23.57 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + QD1 LEU 38 OK 100 100 100 100 1.8-4.5 6599/3.1=97, 1633/3.1=89...(22) H GLU 75 - QD1 LEU 38 far 0 100 0 - 7.6-11.4 Violated in 0 structures by 0.00 A. Peak 1666 from cnoeabs.peaks (8.08, 3.61, 60.29 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 100 100 2.7-2.9 3.0=100 H GLU 75 - HA LYS 39 far 0 100 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 1667 from cnoeabs.peaks (3.61, 3.61, 60.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 1668 from cnoeabs.peaks (1.80, 3.61, 60.29 ppm; 3.35 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 42 + HA LYS 39 OK 97 99 100 98 2.4-3.4 1.8/1679=48, 3.1/8953=43...(20) HG2 ARG 46 - HA LYS 39 far 0 82 0 - 6.7-9.0 HG3 ARG 46 - HA LYS 39 far 0 99 0 - 7.2-9.9 HB VAL 78 - HA LYS 39 far 0 94 0 - 7.4-9.3 HB2 LYS 66 - HA LYS 39 far 0 73 0 - 7.8-10.2 HB ILE 56 - HA LYS 39 far 0 68 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 1669 from cnoeabs.peaks (1.86, 3.61, 60.29 ppm; 3.48 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.2-2.6 3.0=100 HG LEU 42 + HA LYS 39 OK 68 70 100 98 1.9-4.2 2.1/8953=58, 3.0/1679=41...(20) HG2 ARG 46 - HA LYS 39 far 0 63 0 - 6.7-9.0 HB VAL 54 - HA LYS 39 far 0 88 0 - 8.1-10.0 HB3 LYS 66 - HA LYS 39 far 0 100 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 1670 from cnoeabs.peaks (1.34, 3.61, 60.29 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 39 + HA LYS 39 OK 100 100 100 100 2.8-4.0 3.9=95, 1702/3.0=46...(55) HB2 LEU 70 + HA LYS 39 OK 84 87 100 96 3.1-4.7 3.1/10822=50...(28) QB ALA 67 - HA LYS 39 poor 20 99 20 - 4.8-6.8 HG3 LYS 40 - HA LYS 39 far 0 97 0 - 6.9-7.8 HB3 ARG 30 - HA LYS 39 far 0 84 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 1671 from cnoeabs.peaks (1.44, 3.61, 60.29 ppm; 3.83 A): 3 out of 7 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 100 100 100 100 2.5-3.9 3.9=97, 1713/3.0=54...(54) HB2 LEU 38 + HA LYS 39 OK 96 97 100 99 4.2-5.2 1633/3.0=47, ~6599=39...(33) HG LEU 38 + HA LYS 39 OK 41 94 45 97 4.6-6.3 ~6599=25, ~1641=24...(29) QB ALA 71 - HA LYS 39 poor 15 75 45 45 4.7-5.8 8918/1679=12...(7) HG13 ILE 76 - HA LYS 39 far 0 100 0 - 7.1-8.3 HD2 LYS 40 - HA LYS 39 far 0 88 0 - 7.4-8.6 HD3 LYS 40 - HA LYS 39 far 0 87 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 1672 from cnoeabs.peaks (1.65, 3.61, 60.29 ppm; 4.33 A): 3 out of 11 assignments used, quality = 1.00: * HD2 LYS 39 + HA LYS 39 OK 100 100 100 100 4.5-5.3 4.9=67, 1686/3.0=40...(65) HD3 LYS 39 + HA LYS 39 OK 98 98 100 100 4.3-5.2 4.9=67, 3.0/1670=39...(65) HB2 LYS 40 + HA LYS 39 OK 80 99 85 95 5.7-5.9 1783/3.6=70...(14) HB3 LYS 40 - HA LYS 39 far 12 79 15 - 5.7-6.1 HB ILE 76 - HA LYS 39 far 0 99 0 - 6.2-8.0 HD2 LYS 73 - HA LYS 39 far 0 98 0 - 6.8-9.2 HD3 LYS 73 - HA LYS 39 far 0 99 0 - 7.3-9.1 HB3 LEU 6 - HA LYS 39 far 0 100 0 - 8.6-10.1 HG3 LYS 47 - HA LYS 39 far 0 73 0 - 9.3-13.2 HD3 LYS 47 - HA LYS 39 far 0 82 0 - 9.5-13.4 HD2 LYS 47 - HA LYS 39 far 0 84 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1673 from cnoeabs.peaks (1.64, 3.61, 60.29 ppm; 4.33 A): 3 out of 9 assignments used, quality = 1.00: * HD3 LYS 39 + HA LYS 39 OK 100 100 100 100 4.3-5.2 4.9=67, 1687/3.0=40...(66) HD2 LYS 39 + HA LYS 39 OK 98 98 100 100 4.5-5.3 4.9=67, 3.0/1670=39...(65) HB2 LYS 40 + HA LYS 39 OK 81 100 85 95 5.7-5.9 1783/3.6=71...(14) HB ILE 76 - HA LYS 39 far 0 100 0 - 6.2-8.0 HD2 LYS 73 - HA LYS 39 far 0 84 0 - 6.8-9.2 HD3 LYS 73 - HA LYS 39 far 0 87 0 - 7.3-9.1 HB3 LEU 6 - HA LYS 39 far 0 100 0 - 8.6-10.1 HG3 LYS 47 - HA LYS 39 far 0 93 0 - 9.3-13.2 HD2 LYS 47 - HA LYS 39 far 0 59 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1676 from cnoeabs.peaks (7.63, 3.61, 60.29 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HA LYS 39 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 44 - HA LYS 39 far 0 75 0 - 6.2-7.2 Violated in 0 structures by 0.00 A. Peak 1677 from cnoeabs.peaks (7.96, 3.61, 60.29 ppm; 4.38 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LYS 39 OK 100 100 100 100 3.2-3.7 6663=100, 6676/8953=62...(17) H LEU 70 - HA LYS 39 far 0 100 0 - 5.9-7.2 Violated in 0 structures by 0.00 A. Peak 1678 from cnoeabs.peaks (1.81, 3.61, 60.29 ppm; 3.40 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 39 + HA LYS 39 OK 99 99 100 100 2.3-3.0 3.0=100 * HB2 LEU 42 + HA LYS 39 OK 98 100 100 98 2.4-3.4 1.8/1679=49, 3.1/8953=44...(20) HG2 ARG 46 - HA LYS 39 far 0 94 0 - 6.7-9.0 HG3 ARG 46 - HA LYS 39 far 0 92 0 - 7.2-9.9 HB VAL 78 - HA LYS 39 far 0 82 0 - 7.4-9.3 Violated in 0 structures by 0.00 A. Peak 1679 from cnoeabs.peaks (1.30, 3.61, 60.29 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * HB3 LEU 42 + HA LYS 39 OK 100 100 100 100 4.1-4.6 1.8/1909=62, 3.1/8953=62...(22) QB ALA 67 - HA LYS 39 poor 8 70 30 37 4.8-6.8 1938/8953=10...(9) Violated in 20 structures by 0.32 A. Peak 1680 from cnoeabs.peaks (8.08, 1.80, 32.18 ppm; 3.35 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.1-2.9 6604=100, 6605/1.8=52...(31) H LYS 90 + HB2 LYS 90 OK 51 52 100 97 2.1-3.5 4.1=56, 7419/2.8=29...(21) H GLU 17 - HB2 LYS 90 far 4 79 5 - 4.9-8.3 H ILE 15 - HB2 LYS 90 far 0 89 0 - 7.4-10.1 H GLU 75 - HB2 LYS 39 far 0 100 0 - 8.1-10.4 H LYS 13 - HB2 LYS 90 far 0 89 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 1681 from cnoeabs.peaks (3.61, 1.80, 32.18 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 1682 from cnoeabs.peaks (1.80, 1.80, 32.18 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB2 LYS 90 + HB2 LYS 90 OK 85 85 - 100 Peak 1683 from cnoeabs.peaks (1.86, 1.80, 32.18 ppm; 2.44 A): 2 out of 11 assignments used, quality = 1.00: * HB3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 90 + HB2 LYS 90 OK 68 68 100 100 1.8-1.8 1.8=100 HG LEU 42 - HB2 LYS 39 far 0 70 0 - 4.4-6.6 HB2 LYS 20 - HB2 LYS 90 far 0 69 0 - 6.0-10.5 HB2 ARG 19 - HB2 LYS 90 far 0 64 0 - 6.8-11.4 HB3 LYS 66 - HB2 LYS 39 far 0 100 0 - 7.2-11.4 HB3 LEU 14 - HB2 LYS 90 far 0 47 0 - 7.2-9.5 HB3 LEU 57 - HB2 LYS 90 far 0 50 0 - 7.8-9.8 HG2 ARG 46 - HB2 LYS 39 far 0 63 0 - 8.4-10.9 HB3 GLU 104 - HB2 LYS 90 far 0 89 0 - 8.7-22.3 HB VAL 5 - HB2 LYS 90 far 0 91 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 1684 from cnoeabs.peaks (1.34, 1.80, 32.18 ppm; 3.51 A): 3 out of 9 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.5-3.0 3.0=100 QB ALA 89 + HB2 LYS 90 OK 73 90 95 85 3.6-5.1 3910/4.1=41...(18) HB2 LEU 70 + HB2 LYS 39 OK 63 87 80 91 2.9-6.3 1670/3.0=22, ~10822=17...(31) HG LEU 14 - HB2 LYS 90 far 5 90 5 - 5.0-7.4 HG3 LYS 94 - HB2 LYS 90 far 0 54 0 - 5.4-9.4 QB ALA 67 - HB2 LYS 39 far 0 99 0 - 5.6-8.1 HG3 LYS 40 - HB2 LYS 39 far 0 97 0 - 6.0-8.5 HG2 LYS 94 - HB2 LYS 90 far 0 90 0 - 6.3-10.6 QB ALA 25 - HB2 LYS 90 far 0 90 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 1685 from cnoeabs.peaks (1.44, 1.80, 32.18 ppm; 3.75 A): 4 out of 13 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 38 + HB2 LYS 39 OK 89 97 100 92 3.9-5.2 1633/6604=42...(27) HG3 ARG 91 + HB2 LYS 90 OK 57 88 80 82 3.3-5.5 7445/4.1=29...(20) HG LEU 38 + HB2 LYS 39 OK 26 94 35 80 3.6-7.2 5.3/8853=20...(23) HG2 LYS 20 - HB2 LYS 90 poor 17 84 20 - 4.6-8.7 HD3 LYS 40 - HB2 LYS 39 far 0 87 0 - 5.8-8.8 QB ALA 71 - HB2 LYS 39 far 0 75 0 - 6.0-8.1 HD2 LYS 40 - HB2 LYS 39 far 0 88 0 - 6.5-8.4 QB ALA 22 - HB2 LYS 90 far 0 90 0 - 6.5-8.7 HG LEU 29 - HB2 LYS 90 far 0 90 0 - 6.7-11.8 HG12 ILE 7 - HB2 LYS 90 far 0 83 0 - 8.1-10.5 HG13 ILE 76 - HB2 LYS 39 far 0 100 0 - 8.5-10.8 HG2 LYS 13 - HB2 LYS 90 far 0 88 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 1686 from cnoeabs.peaks (1.65, 1.80, 32.18 ppm; 3.35 A): 2 out of 14 assignments used, quality = 1.00: * HD2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.4-3.5 3.6=81, 1.8/1737=34...(60) HD3 LYS 39 + HB2 LYS 39 OK 97 98 100 100 2.0-3.2 3.6=81, 1.8/1726=35...(63) HB2 LYS 40 - HB2 LYS 39 poor 20 99 20 - 4.2-6.0 HD2 LYS 94 - HB2 LYS 90 poor 13 64 20 - 3.7-10.3 HG3 LYS 20 - HB2 LYS 90 far 4 79 5 - 4.8-8.2 HB3 LYS 40 - HB2 LYS 39 far 0 79 0 - 5.1-6.8 HD2 LYS 73 - HB2 LYS 39 far 0 98 0 - 5.2-9.0 HD2 LYS 20 - HB2 LYS 90 far 0 75 0 - 5.3-9.6 HD3 LYS 20 - HB2 LYS 90 far 0 79 0 - 5.4-10.0 HB3 ARG 91 - HB2 LYS 90 far 0 68 0 - 5.5-7.4 HD3 LYS 73 - HB2 LYS 39 far 0 99 0 - 5.8-8.8 HG2 PRO 86 - HB2 LYS 90 far 0 50 0 - 6.5-8.0 HB ILE 76 - HB2 LYS 39 far 0 99 0 - 7.8-10.2 HG12 ILE 15 - HB2 LYS 90 far 0 49 0 - 8.6-11.2 Violated in 0 structures by 0.00 A. Peak 1687 from cnoeabs.peaks (1.64, 1.80, 32.18 ppm; 3.35 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 2.0-3.2 3.6=81, 1.8/1726=35...(64) HD2 LYS 39 + HB2 LYS 39 OK 97 98 100 100 2.4-3.5 3.6=81, 1.8/1737=34...(61) HB2 LYS 40 - HB2 LYS 39 poor 20 100 20 - 4.2-6.0 HD2 LYS 94 - HB2 LYS 90 poor 17 83 20 - 3.7-10.3 HG3 LYS 20 - HB2 LYS 90 far 3 59 5 - 4.8-8.2 HD2 LYS 73 - HB2 LYS 39 far 0 84 0 - 5.2-9.0 HD2 LYS 20 - HB2 LYS 90 far 0 54 0 - 5.3-9.6 HD3 LYS 20 - HB2 LYS 90 far 0 59 0 - 5.4-10.0 HD3 LYS 73 - HB2 LYS 39 far 0 87 0 - 5.8-8.8 HB ILE 76 - HB2 LYS 39 far 0 100 0 - 7.8-10.2 Violated in 0 structures by 0.00 A. Peak 1688 from cnoeabs.peaks (2.87, 1.80, 32.18 ppm; 4.41 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=72, 3.0/1686=41...(62) HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.9-4.6 4.9=72, 3.0/1686=41...(61) HE3 LYS 66 - HB2 LYS 39 far 4 77 5 - 5.6-11.5 HE2 LYS 66 - HB2 LYS 39 far 0 87 0 - 6.3-12.6 Violated in 0 structures by 0.00 A. Peak 1689 from cnoeabs.peaks (2.88, 1.80, 32.18 ppm; 4.41 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 100 100 100 100 1.9-4.6 4.9=72, 3.0/1686=41...(61) HE2 LYS 39 + HB2 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=72, 3.0/1686=41...(62) HE3 LYS 94 - HB2 LYS 90 poor 17 58 30 - 5.3-9.7 HE3 LYS 66 - HB2 LYS 39 far 4 87 5 - 5.6-11.5 HE2 LYS 20 - HB2 LYS 90 far 0 56 0 - 6.2-11.4 HE2 LYS 66 - HB2 LYS 39 far 0 94 0 - 6.3-12.6 HE3 LYS 20 - HB2 LYS 90 far 0 54 0 - 6.3-10.5 Violated in 0 structures by 0.00 A. Peak 1690 from cnoeabs.peaks (7.63, 1.80, 32.18 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HB2 LYS 39 OK 100 100 100 100 2.6-4.0 6620=100, 6621/1.8=89...(23) H GLU 44 - HB2 LYS 39 far 0 75 0 - 7.5-9.2 Violated in 2 structures by 0.00 A. Peak 1691 from cnoeabs.peaks (8.08, 1.86, 32.18 ppm; 3.19 A): 4 out of 13 assignments used, quality = 1.00: * H LYS 39 + HB3 LYS 39 OK 99 100 100 99 3.2-3.6 6604/1.8=67, 6605=63...(20) H LYS 13 + HB2 LYS 12 OK 84 90 100 93 3.8-4.3 6165=49, 6166/1.8=37...(12) H LYS 13 + HB3 LYS 12 OK 83 89 100 93 2.7-3.4 6165=50, 6165/1.8=37...(15) H LYS 90 + HB3 LYS 90 OK 29 31 100 92 2.9-3.6 4.1=48, 7419/2.8=26...(12) H GLU 17 - HB3 LYS 90 far 0 50 0 - 5.3-7.9 H ILE 15 - HB2 LYS 12 far 0 89 0 - 5.3-5.8 H ILE 15 - HB3 LYS 12 far 0 89 0 - 5.6-6.0 H GLU 17 - HB2 LYS 20 far 0 54 0 - 6.0-6.9 H GLU 17 - HB2 LYS 12 far 0 80 0 - 6.4-8.1 H GLU 17 - HB3 LYS 12 far 0 79 0 - 6.9-8.6 H GLU 75 - HB3 LYS 39 far 0 100 0 - 7.3-9.0 H ILE 15 - HB3 LYS 90 far 0 58 0 - 7.9-10.3 H LYS 90 - HB2 LYS 20 far 0 34 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 1692 from cnoeabs.peaks (3.61, 1.86, 32.18 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 1693 from cnoeabs.peaks (1.80, 1.86, 32.18 ppm; 2.40 A): 2 out of 30 assignments used, quality = 1.00: * HB2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 90 + HB3 LYS 90 OK 55 55 100 100 1.8-1.8 1.8=100 HB ILE 93 - HB3 LYS 90 far 0 60 0 - 4.1-4.8 HB2 LEU 42 - HB3 LYS 39 far 0 99 0 - 4.3-5.0 HG3 ARG 19 - HB2 LYS 20 far 0 33 0 - 4.5-7.8 HB ILE 56 - HB2 LYS 68 far 0 42 0 - 5.0-8.5 HB ILE 56 - HB3 LYS 68 far 0 63 0 - 5.7-7.2 HB2 LYS 90 - HB2 LYS 20 far 0 60 0 - 6.0-10.5 HB3 LYS 90 - HB2 LYS 20 far 0 35 0 - 6.2-9.0 HB2 LYS 66 - HB3 LYS 68 far 0 69 0 - 6.3-7.1 HB2 GLU 104 - HB2 LYS 68 far 0 70 0 - 6.5-18.5 HB VAL 78 - HB2 LYS 68 far 0 64 0 - 6.6-9.8 HG2 ARG 46 - HB3 LYS 39 far 0 82 0 - 6.9-9.6 HB2 GLU 104 - HB3 LYS 68 far 0 95 0 - 7.3-20.1 HG3 ARG 19 - HB2 LYS 12 far 0 51 0 - 7.4-11.5 HB2 LYS 66 - HB2 LYS 68 far 0 46 0 - 7.4-8.3 HG3 ARG 46 - HB3 LYS 39 far 0 99 0 - 7.6-10.2 HB3 GLU 63 - HB3 LYS 68 far 0 88 0 - 7.8-8.7 HB2 LYS 66 - HB3 LYS 39 far 0 73 0 - 7.9-11.0 HB3 GLU 63 - HB2 LYS 68 far 0 62 0 - 7.9-9.9 HB VAL 78 - HB3 LYS 68 far 0 90 0 - 8.0-9.4 HB ILE 93 - HB2 LYS 20 far 0 64 0 - 8.1-10.4 HB3 LYS 82 - HB2 LYS 68 far 0 44 0 - 8.2-11.7 HG3 ARG 19 - HB3 LYS 90 far 0 30 0 - 8.2-11.1 HB3 LYS 82 - HB3 LYS 68 far 0 65 0 - 8.3-10.7 HB3 LEU 57 - HB3 LYS 90 far 0 44 0 - 8.4-9.8 HG3 ARG 19 - HB3 LYS 12 far 0 50 0 - 8.8-12.7 HB2 GLU 88 - HB3 LYS 90 far 0 57 0 - 9.0-9.7 HB2 GLU 104 - HB3 LYS 90 far 0 57 0 - 9.1-21.6 HB VAL 78 - HB3 LYS 39 far 0 94 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 1694 from cnoeabs.peaks (1.86, 1.86, 32.18 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB3 LYS 68 + HB3 LYS 68 OK 96 96 - 100 HB2 LYS 12 + HB2 LYS 12 OK 92 92 - 100 HB3 LYS 12 + HB3 LYS 12 OK 91 91 - 100 HB2 LYS 68 + HB2 LYS 68 OK 57 57 - 100 HB2 LYS 20 + HB2 LYS 20 OK 47 47 - 100 HB3 LYS 90 + HB3 LYS 90 OK 42 42 - 100 Peak 1695 from cnoeabs.peaks (1.34, 1.86, 32.18 ppm; 3.28 A): 6 out of 26 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 68 + HB3 LYS 68 OK 98 98 100 100 2.4-3.0 2.9=100 HG3 LYS 68 + HB2 LYS 68 OK 73 73 100 100 2.4-3.0 2.9=100 QB ALA 67 + HB3 LYS 68 OK 69 97 85 84 4.2-4.8 2985/4.0=35, 2991/3.0=24...(16) QB ALA 67 + HB2 LYS 68 OK 43 71 75 79 4.2-5.5 2985/4.0=35, 2991/3.0=24...(11) HB2 LEU 70 + HB3 LYS 39 OK 41 87 60 79 3.3-6.1 1670/3.0=19, ~10822=14...(22) QB ALA 89 - HB3 LYS 90 poor 12 60 20 - 4.2-5.1 HG3 LYS 94 - HB3 LYS 90 far 0 33 0 - 5.2-7.9 HG LEU 14 - HB3 LYS 90 far 0 60 0 - 5.8-8.0 HG2 LYS 94 - HB3 LYS 90 far 0 60 0 - 6.1-9.2 QB ALA 67 - HB3 LYS 39 far 0 99 0 - 6.2-8.5 HG3 LYS 40 - HB3 LYS 39 far 0 97 0 - 6.2-8.3 QB ALA 25 - HB3 LYS 90 far 0 60 0 - 6.4-8.1 HB2 LEU 70 - HB3 LYS 68 far 0 83 0 - 6.7-7.5 HB2 LYS 82 - HB3 LYS 68 far 0 98 0 - 6.9-8.9 HB2 LYS 82 - HB2 LYS 68 far 0 73 0 - 7.1-9.9 HB2 LEU 70 - HB2 LYS 68 far 0 57 0 - 7.2-7.7 QB ALA 25 - HB2 LYS 20 far 0 64 0 - 7.8-8.9 QB ALA 89 - HB2 LYS 20 far 0 64 0 - 8.4-9.7 HG LEU 14 - HB2 LYS 12 far 0 91 0 - 8.5-9.4 HG12 ILE 8 - HB3 LYS 68 far 0 90 0 - 8.6-11.2 HG12 ILE 8 - HB2 LYS 68 far 0 64 0 - 8.7-12.7 HG LEU 14 - HB3 LYS 12 far 0 90 0 - 8.9-9.4 QB ALA 89 - HB2 LYS 12 far 0 91 0 - 9.2-10.4 QB ALA 89 - HB3 LYS 12 far 0 90 0 - 9.4-10.7 HG LEU 14 - HB2 LYS 20 far 0 64 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 1696 from cnoeabs.peaks (1.44, 1.86, 32.18 ppm; 3.05 A): 5 out of 36 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HB2 LYS 12 OK 91 91 100 100 2.6-3.0 3.0=100 HG2 LYS 12 + HB3 LYS 12 OK 91 91 100 100 2.3-2.8 3.0=100 HG2 LYS 20 + HB2 LYS 20 OK 58 58 100 100 2.5-2.9 3.0=100 HG LEU 64 + HB3 LYS 68 OK 34 56 100 61 3.0-4.2 ~12320=17, ~10242=10...(16) HG LEU 64 - HB2 LYS 68 poor 13 36 60 57 3.0-5.0 ~12320=17, ~10242=10...(14) HG2 LYS 20 - HB3 LYS 90 far 5 54 10 - 4.4-7.9 HG3 ARG 91 - HB3 LYS 90 far 3 57 5 - 4.5-5.8 QB ALA 71 - HB2 LYS 68 far 2 48 5 - 4.5-5.4 HG2 LYS 13 - HB3 LYS 12 far 0 88 0 - 4.6-5.5 HG LEU 38 - HB3 LYS 39 far 0 94 0 - 4.7-8.0 QB ALA 71 - HB3 LYS 68 far 0 71 0 - 5.1-5.8 HB2 LEU 38 - HB3 LYS 39 far 0 97 0 - 5.4-6.4 HG2 LYS 13 - HB2 LYS 12 far 0 88 0 - 5.7-6.3 QB ALA 71 - HB3 LYS 39 far 0 75 0 - 5.7-7.5 QB ALA 22 - HB3 LYS 90 far 0 60 0 - 6.0-7.5 QB ALA 22 - HB2 LYS 20 far 0 64 0 - 6.3-7.3 HD3 LYS 40 - HB3 LYS 39 far 0 87 0 - 6.5-8.9 HG LEU 29 - HB3 LYS 90 far 0 60 0 - 6.7-11.0 HG LEU 38 - HB3 LYS 68 far 0 90 0 - 6.8-9.9 HD2 LYS 40 - HB3 LYS 39 far 0 88 0 - 6.9-8.6 HD2 LYS 82 - HB2 LYS 68 far 0 64 0 - 7.3-11.7 HG LEU 38 - HB2 LYS 68 far 0 64 0 - 7.5-10.3 HG LEU 29 - HB2 LYS 20 far 0 64 0 - 7.6-10.2 HG13 ILE 76 - HB3 LYS 39 far 0 100 0 - 7.7-9.4 HD2 LYS 82 - HB3 LYS 68 far 0 90 0 - 7.7-11.1 HB2 LEU 38 - HB2 LYS 68 far 0 68 0 - 8.0-10.5 HB2 LEU 38 - HB3 LYS 68 far 0 94 0 - 8.1-9.7 HG12 ILE 7 - HB3 LYS 90 far 0 53 0 - 8.7-10.5 HG12 ILE 7 - HB2 LYS 12 far 0 83 0 - 9.0-11.1 HB2 LEU 27 - HB3 LYS 90 far 0 54 0 - 9.4-10.9 HG2 LYS 20 - HB2 LYS 12 far 0 84 0 - 9.5-11.8 HG12 ILE 7 - HB3 LYS 12 far 0 83 0 - 9.6-11.5 HB2 LEU 27 - HB2 LYS 20 far 0 58 0 - 9.8-10.8 HG3 LYS 39 - HB3 LYS 68 far 0 98 0 - 9.9-13.9 HG2 LYS 13 - HB3 LYS 90 far 0 57 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 1697 from cnoeabs.peaks (1.65, 1.86, 32.18 ppm; 2.69 A): 11 out of 43 assignments used, quality = 1.00: * HD2 LYS 39 + HB3 LYS 39 OK 97 100 100 97 2.4-4.1 3.6=42, 1726/1.8=23...(44) HD2 LYS 68 + HB3 LYS 68 OK 94 98 100 96 2.9-4.1 3.5=46, 3045/1.8=12...(64) HD3 LYS 68 + HB3 LYS 68 OK 94 98 100 96 2.2-4.2 3.5=46, 2992/3.0=12...(66) HD3 LYS 39 + HB3 LYS 39 OK 94 98 100 96 2.3-3.6 3.6=42, 1726/1.8=22...(46) HG2 LYS 68 + HB3 LYS 68 OK 92 95 100 97 2.2-3.0 2.9=83, 3021/4.0=19...(38) HD2 LYS 68 + HB2 LYS 68 OK 70 73 100 96 2.0-3.8 3.5=46, 3044/3.0=11...(63) HD3 LYS 68 + HB2 LYS 68 OK 70 73 100 96 2.1-3.7 3.5=46, 2992/3.0=12...(65) HG2 LYS 68 + HB2 LYS 68 OK 67 69 100 97 2.3-3.0 2.9=83, 3021/4.0=19...(36) HG3 LYS 20 + HB2 LYS 20 OK 51 54 100 94 2.8-3.0 3.0=76, 893/4.0=17...(47) HD3 LYS 20 + HB2 LYS 20 OK 51 54 100 93 2.5-3.7 3.5=44, 6310/4.0=7...(72) HD2 LYS 20 + HB2 LYS 20 OK 47 51 100 92 2.4-3.6 3.5=44, 6310/4.0=7...(72) HD2 LYS 94 - HB3 LYS 90 poor 8 40 20 - 3.8-8.8 HG3 LYS 20 - HB3 LYS 90 far 0 50 0 - 4.3-8.7 HB2 LYS 40 - HB3 LYS 39 far 0 99 0 - 4.9-6.1 HD2 LYS 20 - HB3 LYS 90 far 0 47 0 - 5.3-8.5 HD2 LYS 73 - HB3 LYS 39 far 0 98 0 - 5.4-8.3 HD3 LYS 20 - HB3 LYS 90 far 0 50 0 - 5.7-8.9 HD3 LYS 73 - HB3 LYS 39 far 0 99 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 79 0 - 5.9-6.8 HB3 ARG 91 - HB3 LYS 90 far 0 42 0 - 6.2-7.3 HB3 ARG 79 - HB2 LYS 68 far 0 73 0 - 6.3-11.1 HG12 ILE 15 - HB2 LYS 12 far 0 49 0 - 6.4-7.1 HG12 ILE 15 - HB3 LYS 12 far 0 49 0 - 7.0-7.6 HG2 PRO 86 - HB3 LYS 90 far 0 30 0 - 7.2-8.6 HB ILE 76 - HB3 LYS 39 far 0 99 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 98 0 - 8.1-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 76 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 80 0 - 8.7-13.0 HD2 LYS 94 - HB2 LYS 20 far 0 43 0 - 9.0-12.1 HB3 LEU 6 - HB2 LYS 68 far 0 72 0 - 9.0-12.3 HG12 ILE 15 - HB3 LYS 90 far 0 29 0 - 9.1-11.3 HD3 LYS 47 - HB3 LYS 39 far 0 82 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 84 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 73 0 - 9.2-14.1 HD3 LYS 73 - HB3 LYS 68 far 0 95 0 - 9.3-12.4 HG2 PRO 86 - HB3 LYS 12 far 0 50 0 - 9.3-11.0 HD2 LYS 20 - HB3 LYS 12 far 0 75 0 - 9.3-12.8 HB ILE 76 - HB2 LYS 68 far 0 70 0 - 9.4-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 68 0 - 9.4-12.1 HD3 LYS 20 - HB3 LYS 12 far 0 79 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 94 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 97 0 - 9.6-11.4 HG3 LYS 20 - HB2 LYS 12 far 0 80 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1698 from cnoeabs.peaks (1.64, 1.86, 32.18 ppm; 2.69 A): 11 out of 35 assignments used, quality = 1.00: * HD3 LYS 39 + HB3 LYS 39 OK 96 100 100 96 2.3-3.6 3.6=42, 1737/1.8=23...(46) HG2 LYS 68 + HB3 LYS 68 OK 95 98 100 97 2.2-3.0 2.9=83, 3021/4.0=19...(37) HD2 LYS 39 + HB3 LYS 39 OK 94 98 100 97 2.4-4.1 3.6=42, 1726/1.8=22...(44) HD3 LYS 68 + HB3 LYS 68 OK 92 96 100 96 2.2-4.2 3.5=46, 2990/3.0=12...(66) HD2 LYS 68 + HB3 LYS 68 OK 92 95 100 96 2.9-4.1 3.5=46, 3056/1.8=11...(64) HG2 LYS 68 + HB2 LYS 68 OK 71 73 100 97 2.3-3.0 2.9=83, 3021/4.0=19...(35) HD3 LYS 68 + HB2 LYS 68 OK 68 70 100 96 2.1-3.7 3.5=46, 2990/3.0=12...(64) HD2 LYS 68 + HB2 LYS 68 OK 67 70 100 96 2.0-3.8 3.5=46, 3055/3.0=11...(63) HG3 LYS 20 + HB2 LYS 20 OK 37 39 100 93 2.8-3.0 3.0=76, 893/4.0=12...(46) HD3 LYS 20 + HB2 LYS 20 OK 36 39 100 92 2.5-3.7 3.5=44, ~848=7...(72) HD2 LYS 20 + HB2 LYS 20 OK 33 35 100 92 2.4-3.6 3.5=44, ~848=7...(72) HD2 LYS 94 - HB3 LYS 90 poor 11 53 20 - 3.8-8.8 HG3 LYS 20 - HB3 LYS 90 far 0 36 0 - 4.3-8.7 HB2 LYS 40 - HB3 LYS 39 far 0 100 0 - 4.9-6.1 HD2 LYS 20 - HB3 LYS 90 far 0 33 0 - 5.3-8.5 HD2 LYS 73 - HB3 LYS 39 far 0 84 0 - 5.4-8.3 HD3 LYS 20 - HB3 LYS 90 far 0 36 0 - 5.7-8.9 HD3 LYS 73 - HB3 LYS 39 far 0 87 0 - 5.9-8.3 HB3 ARG 79 - HB2 LYS 68 far 0 68 0 - 6.3-11.1 HB ILE 76 - HB3 LYS 39 far 0 100 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 94 0 - 8.1-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 55 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.7-13.0 HD2 LYS 94 - HB2 LYS 20 far 0 57 0 - 9.0-12.1 HB3 LEU 6 - HB2 LYS 68 far 0 72 0 - 9.0-12.3 HD2 LYS 47 - HB3 LYS 39 far 0 59 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 93 0 - 9.2-14.1 HD3 LYS 73 - HB3 LYS 68 far 0 83 0 - 9.3-12.4 HD2 LYS 20 - HB3 LYS 12 far 0 54 0 - 9.3-12.8 HB ILE 76 - HB2 LYS 68 far 0 73 0 - 9.4-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 55 0 - 9.4-12.1 HD3 LYS 20 - HB3 LYS 12 far 0 59 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 80 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 97 0 - 9.6-11.4 HG3 LYS 20 - HB2 LYS 12 far 0 60 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 1699 from cnoeabs.peaks (2.87, 1.86, 32.18 ppm; 3.91 A): 6 out of 14 assignments used, quality = 1.00: * HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=50, 1762/3.0=28...(45) HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.1-5.0 4.9=50, 1762/3.0=28...(45) HE3 LYS 68 + HB3 LYS 68 OK 59 60 100 100 2.8-4.4 5.0=48, 3.0/1738=13...(83) HE2 LYS 68 + HB3 LYS 68 OK 55 56 100 100 2.9-5.0 5.0=48, 3.0/1738=13...(83) HE3 LYS 68 + HB2 LYS 68 OK 39 39 100 100 2.6-4.3 5.0=48, 3.0/3045=13...(88) HE2 LYS 68 + HB2 LYS 68 OK 36 36 100 100 3.1-4.5 5.0=48, 3.0/3045=13...(88) HE3 LYS 66 - HB3 LYS 68 far 0 73 0 - 6.2-9.1 HE3 LYS 66 - HB3 LYS 39 far 0 77 0 - 6.5-12.1 HE3 LYS 66 - HB2 LYS 68 far 0 49 0 - 7.2-10.6 HE2 LYS 66 - HB3 LYS 68 far 0 83 0 - 7.4-9.2 HE3 LYS 82 - HB3 LYS 68 far 0 92 0 - 7.6-12.2 HE2 LYS 66 - HB3 LYS 39 far 0 87 0 - 7.6-13.5 HE3 LYS 82 - HB2 LYS 68 far 0 66 0 - 8.0-13.1 HE2 LYS 66 - HB2 LYS 68 far 0 57 0 - 8.3-10.7 Violated in 0 structures by 0.00 A. Peak 1700 from cnoeabs.peaks (2.88, 1.86, 32.18 ppm; 3.91 A): 8 out of 23 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.1-5.0 4.9=50, 1762/3.0=28...(45) HE2 LYS 39 + HB3 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=50, 1762/3.0=28...(45) HE3 LYS 68 + HB3 LYS 68 OK 71 71 100 100 2.8-4.4 5.0=48, 3.0/1738=13...(83) HE2 LYS 68 + HB3 LYS 68 OK 67 67 100 100 2.9-5.0 5.0=48, 3.0/1738=13...(83) HE3 LYS 68 + HB2 LYS 68 OK 48 48 100 100 2.6-4.3 5.0=48, 3.0/3045=13...(88) HE2 LYS 68 + HB2 LYS 68 OK 45 45 100 100 3.1-4.5 5.0=48, 3.0/3045=13...(88) HE2 LYS 20 + HB2 LYS 20 OK 36 37 100 100 1.9-3.5 4.7=57, 6313/4.0=13...(99) HE3 LYS 20 + HB2 LYS 20 OK 35 35 100 100 1.9-3.6 4.7=57, 6313/4.0=13...(99) HE3 LYS 94 - HB3 LYS 90 poor 7 35 20 - 4.9-8.0 HE2 LYS 20 - HB3 LYS 90 far 0 34 0 - 6.1-10.1 HE3 LYS 66 - HB3 LYS 68 far 0 83 0 - 6.2-9.1 HE3 LYS 66 - HB3 LYS 39 far 0 87 0 - 6.5-12.1 HE3 LYS 20 - HB3 LYS 90 far 0 33 0 - 6.8-9.1 HE3 LYS 66 - HB2 LYS 68 far 0 57 0 - 7.2-10.6 HE2 LYS 66 - HB3 LYS 68 far 0 90 0 - 7.4-9.2 HE3 LYS 82 - HB3 LYS 68 far 0 85 0 - 7.6-12.2 HE2 LYS 66 - HB3 LYS 39 far 0 94 0 - 7.6-13.5 HE3 LYS 82 - HB2 LYS 68 far 0 60 0 - 8.0-13.1 HE3 LYS 20 - HB2 LYS 12 far 0 55 0 - 8.1-12.2 HE2 LYS 66 - HB2 LYS 68 far 0 64 0 - 8.3-10.7 HE3 LYS 20 - HB3 LYS 12 far 0 54 0 - 9.1-13.0 HE2 LYS 20 - HB2 LYS 12 far 0 56 0 - 9.7-13.0 HE3 LYS 94 - HB2 LYS 20 far 0 38 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1701 from cnoeabs.peaks (7.63, 1.86, 32.18 ppm; 3.86 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 40 + HB3 LYS 39 OK 100 100 100 100 3.4-4.2 6621=100, 6620/1.8=82...(19) HD22 ASN 10 - HB3 LYS 12 far 0 69 0 - 6.4-10.3 H GLU 44 - HB3 LYS 39 far 0 75 0 - 6.8-8.5 HD22 ASN 10 - HB2 LYS 12 far 0 70 0 - 7.1-10.8 Violated in 10 structures by 0.11 A. Peak 1702 from cnoeabs.peaks (8.08, 1.34, 25.61 ppm; 4.50 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-4.6 1713/1.8=88, 6604/3.0=85...(33) H GLU 75 - HG2 LYS 39 far 0 100 0 - 7.4-11.5 H GLU 75 - HG3 LYS 68 far 0 66 0 - 9.0-12.2 Violated in 1 structures by 0.00 A. Peak 1703 from cnoeabs.peaks (3.61, 1.34, 25.61 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.8-4.0 3.9=100 Violated in 0 structures by 0.00 A. Peak 1704 from cnoeabs.peaks (1.80, 1.34, 25.61 ppm; 3.55 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 42 - HG2 LYS 39 far 10 99 10 - 4.8-6.5 HB ILE 56 - HG3 LYS 68 far 0 38 0 - 5.5-8.6 HB2 GLU 104 - HG3 LYS 68 far 0 64 0 - 6.2-19.0 HB VAL 78 - HG3 LYS 68 far 0 58 0 - 6.3-9.6 HG2 ARG 46 - HG2 LYS 39 far 0 82 0 - 7.0-11.5 HB2 LYS 66 - HG2 LYS 39 far 0 73 0 - 7.9-11.9 HG3 ARG 46 - HG2 LYS 39 far 0 99 0 - 8.0-11.9 HB2 LYS 66 - HG3 LYS 68 far 0 42 0 - 8.5-9.4 HB3 GLU 63 - HG3 LYS 68 far 0 56 0 - 8.8-11.7 HB3 LYS 82 - HG3 LYS 68 far 0 39 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 1705 from cnoeabs.peaks (1.86, 1.34, 25.61 ppm; 3.23 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 68 + HG3 LYS 68 OK 65 65 100 100 2.4-3.0 2.9=100 HB2 LYS 68 + HG3 LYS 68 OK 52 52 100 100 2.4-3.0 2.9=100 HG LEU 42 - HG2 LYS 39 far 0 70 0 - 4.8-7.1 HG2 ARG 46 - HG2 LYS 39 far 0 63 0 - 7.0-11.5 HB3 GLU 104 - HG3 LYS 68 far 0 65 0 - 7.8-18.9 HB3 LYS 66 - HG3 LYS 68 far 0 67 0 - 7.9-8.8 HB3 LYS 66 - HG2 LYS 39 far 0 100 0 - 8.9-11.4 HB VAL 54 - HG3 LYS 68 far 0 53 0 - 9.2-11.7 HB ILE 8 - HG3 LYS 68 far 0 41 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 1706 from cnoeabs.peaks (1.34, 1.34, 25.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 HG3 LYS 68 + HG3 LYS 68 OK 67 67 - 100 Peak 1707 from cnoeabs.peaks (1.44, 1.34, 25.61 ppm; 2.69 A): 1 out of 12 assignments used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 64 - HG3 LYS 68 far 5 33 15 - 3.2-6.4 QB ALA 71 - HG3 LYS 68 far 0 43 0 - 4.3-6.3 HB2 LEU 38 - HG2 LYS 39 far 0 97 0 - 4.6-7.3 HD3 LYS 40 - HG2 LYS 39 far 0 87 0 - 4.7-9.2 HG LEU 38 - HG2 LYS 39 far 0 94 0 - 4.9-8.9 HD2 LYS 40 - HG2 LYS 39 far 0 88 0 - 5.4-9.8 QB ALA 71 - HG2 LYS 39 far 0 75 0 - 6.1-8.8 HD2 LYS 82 - HG3 LYS 68 far 0 58 0 - 7.9-13.2 HG LEU 38 - HG3 LYS 68 far 0 58 0 - 8.1-11.3 HG13 ILE 76 - HG2 LYS 39 far 0 100 0 - 8.3-11.3 HB2 LEU 38 - HG3 LYS 68 far 0 62 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 1708 from cnoeabs.peaks (1.65, 1.34, 25.61 ppm; 2.54 A): 6 out of 14 assignments used, quality = 1.00: * HD2 LYS 39 + HG2 LYS 39 OK 98 100 100 98 2.2-3.0 3.0=63, 1719/1.8=28...(59) HD3 LYS 39 + HG2 LYS 39 OK 96 98 100 98 2.2-3.0 3.0=63, 1719/1.8=27...(64) HG2 LYS 68 + HG3 LYS 68 OK 63 63 100 100 1.8-1.8 1.8=100 HD3 LYS 68 + HG3 LYS 68 OK 62 67 100 93 2.2-2.9 3.0=63, 1.8/3048=12...(61) HD2 LYS 68 + HG3 LYS 68 OK 62 67 100 93 2.2-2.9 3.0=63, 1.8/3048=12...(60) HB2 LYS 40 + HG2 LYS 39 OK 38 99 70 55 3.1-7.3 1788=11, 1783/6622=11...(17) HB3 LYS 40 - HG2 LYS 39 far 4 79 5 - 4.0-8.0 HD2 LYS 73 - HG2 LYS 39 far 0 98 0 - 4.8-10.0 HD3 LYS 73 - HG2 LYS 39 far 0 99 0 - 5.3-9.8 HB3 ARG 79 - HG3 LYS 68 far 0 67 0 - 6.8-10.1 HB ILE 76 - HG2 LYS 39 far 0 99 0 - 8.1-11.5 HD3 LYS 73 - HG3 LYS 68 far 0 64 0 - 8.9-13.3 HD2 LYS 73 - HG3 LYS 68 far 0 62 0 - 9.1-11.8 HB ILE 76 - HG3 LYS 68 far 0 64 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 1709 from cnoeabs.peaks (1.64, 1.34, 25.61 ppm; 2.54 A): 6 out of 13 assignments used, quality = 1.00: * HD3 LYS 39 + HG2 LYS 39 OK 98 100 100 98 2.2-3.0 3.0=63, 1720/1.8=28...(64) HD2 LYS 39 + HG2 LYS 39 OK 96 98 100 98 2.2-3.0 3.0=63, 1720/1.8=27...(59) HG2 LYS 68 + HG3 LYS 68 OK 67 67 100 100 1.8-1.8 1.8=100 HD3 LYS 68 + HG3 LYS 68 OK 60 64 100 93 2.2-2.9 3.0=63, 1.8/3048=12...(61) HD2 LYS 68 + HG3 LYS 68 OK 59 64 100 93 2.2-2.9 3.0=63, 1.8/3048=12...(59) HB2 LYS 40 + HG2 LYS 39 OK 38 100 70 55 3.1-7.3 1788=11, 1783/6622=11...(16) HD2 LYS 73 - HG2 LYS 39 far 0 84 0 - 4.8-10.0 HD3 LYS 73 - HG2 LYS 39 far 0 87 0 - 5.3-9.8 HB3 ARG 79 - HG3 LYS 68 far 0 62 0 - 6.8-10.1 HB ILE 76 - HG2 LYS 39 far 0 100 0 - 8.1-11.5 HD3 LYS 73 - HG3 LYS 68 far 0 52 0 - 8.9-13.3 HD2 LYS 73 - HG3 LYS 68 far 0 49 0 - 9.1-11.8 HB ILE 76 - HG3 LYS 68 far 0 67 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 1710 from cnoeabs.peaks (2.87, 1.34, 25.61 ppm; 3.66 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-4.1 3.5=100 HE3 LYS 68 + HG3 LYS 68 OK 35 35 100 100 2.0-4.0 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 33 33 100 100 2.0-4.2 3.6=100 HE2 LYS 66 - HG2 LYS 39 far 0 87 0 - 7.5-11.7 HE3 LYS 66 - HG3 LYS 68 far 0 44 0 - 7.7-11.3 HE3 LYS 66 - HG2 LYS 39 far 0 77 0 - 7.8-11.9 HE2 LYS 66 - HG3 LYS 68 far 0 52 0 - 8.9-11.6 HE3 LYS 82 - HG3 LYS 68 far 0 60 0 - 9.0-14.4 Violated in 0 structures by 0.00 A. Peak 1711 from cnoeabs.peaks (2.88, 1.34, 25.61 ppm; 3.66 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.1-4.1 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=100 HE3 LYS 68 + HG3 LYS 68 OK 43 43 100 100 2.0-4.0 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 41 41 100 100 2.0-4.2 3.6=100 HE2 LYS 66 - HG2 LYS 39 far 0 94 0 - 7.5-11.7 HE3 LYS 66 - HG3 LYS 68 far 0 52 0 - 7.7-11.3 HE3 LYS 66 - HG2 LYS 39 far 0 87 0 - 7.8-11.9 HE2 LYS 66 - HG3 LYS 68 far 0 58 0 - 8.9-11.6 HE3 LYS 82 - HG3 LYS 68 far 0 54 0 - 9.0-14.4 Violated in 0 structures by 0.00 A. Peak 1712 from cnoeabs.peaks (7.63, 1.34, 25.61 ppm; 5.51 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HG2 LYS 39 OK 100 100 100 100 1.9-5.2 6621/3.0=98, 6620/3.0=97...(30) H GLU 44 - HG2 LYS 39 far 0 75 0 - 7.0-9.1 Violated in 0 structures by 0.00 A. Peak 1713 from cnoeabs.peaks (8.08, 1.44, 25.61 ppm; 4.05 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.9-4.3 6604/3.0=74, 1702/1.8=64...(27) H GLU 75 - HG3 LYS 39 far 0 100 0 - 8.5-10.9 Violated in 7 structures by 0.05 A. Peak 1714 from cnoeabs.peaks (3.61, 1.44, 25.61 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.5-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 1715 from cnoeabs.peaks (1.80, 1.44, 25.61 ppm; 3.78 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 42 + HG3 LYS 39 OK 52 99 55 95 4.6-6.6 3.1/10568=44, ~10570=38...(18) HB2 LYS 66 - HG3 LYS 39 far 0 73 0 - 6.8-12.0 HG2 ARG 46 - HG3 LYS 39 far 0 82 0 - 7.1-12.3 HG3 ARG 46 - HG3 LYS 39 far 0 99 0 - 8.0-12.1 HB VAL 78 - HG3 LYS 39 far 0 94 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 1716 from cnoeabs.peaks (1.86, 1.44, 25.61 ppm; 3.10 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 42 - HG3 LYS 39 far 3 70 5 - 4.3-7.0 HG2 ARG 46 - HG3 LYS 39 far 0 63 0 - 7.1-12.3 HB3 LYS 66 - HG3 LYS 39 far 0 100 0 - 7.9-12.2 HB3 LYS 68 - HG3 LYS 39 far 0 99 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 1717 from cnoeabs.peaks (1.34, 1.44, 25.61 ppm; 2.62 A): 1 out of 4 assignments used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 70 - HG3 LYS 39 poor 17 87 20 - 2.9-7.1 HG3 LYS 40 - HG3 LYS 39 far 0 97 0 - 4.8-8.7 QB ALA 67 - HG3 LYS 39 far 0 99 0 - 5.9-8.9 Violated in 0 structures by 0.00 A. Peak 1718 from cnoeabs.peaks (1.44, 1.44, 25.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 Peak 1719 from cnoeabs.peaks (1.65, 1.44, 25.61 ppm; 2.58 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.2-3.0 3.0=66, 1.8/1740=26...(61) HD3 LYS 39 + HG3 LYS 39 OK 96 98 100 98 2.5-3.0 3.0=66, 1.8/1740=24...(63) HB2 LYS 40 - HG3 LYS 39 poor 19 99 40 49 3.4-6.9 1788/1.8=12, 1783/1723=8...(14) HB3 LYS 40 - HG3 LYS 39 far 0 79 0 - 4.6-7.4 HD2 LYS 73 - HG3 LYS 39 far 0 98 0 - 5.4-9.2 HD3 LYS 73 - HG3 LYS 39 far 0 99 0 - 6.4-9.3 HB ILE 76 - HG3 LYS 39 far 0 99 0 - 8.4-10.9 HG3 LYS 47 - HG3 LYS 39 far 0 73 0 - 9.4-14.6 HD2 LYS 47 - HG3 LYS 39 far 0 84 0 - 9.6-16.2 HG2 LYS 68 - HG3 LYS 39 far 0 98 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 1720 from cnoeabs.peaks (1.64, 1.44, 25.61 ppm; 2.58 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 39 + HG3 LYS 39 OK 98 100 100 98 2.5-3.0 3.0=66, 1.8/1740=24...(63) HD2 LYS 39 + HG3 LYS 39 OK 96 98 100 98 2.2-3.0 3.0=66, 1.8/1740=26...(61) HB2 LYS 40 - HG3 LYS 39 poor 19 100 40 47 3.4-6.9 1788/1.8=12, 1783/1723=8...(12) HD2 LYS 73 - HG3 LYS 39 far 0 84 0 - 5.4-9.2 HD3 LYS 73 - HG3 LYS 39 far 0 87 0 - 6.4-9.3 HB ILE 76 - HG3 LYS 39 far 0 100 0 - 8.4-10.9 HG3 LYS 47 - HG3 LYS 39 far 0 93 0 - 9.4-14.6 HD2 LYS 47 - HG3 LYS 39 far 0 59 0 - 9.6-16.2 HG2 LYS 68 - HG3 LYS 39 far 0 100 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 1721 from cnoeabs.peaks (2.87, 1.44, 25.61 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=100 HE3 LYS 66 - HG3 LYS 39 far 0 77 0 - 7.6-12.7 HE2 LYS 66 - HG3 LYS 39 far 0 87 0 - 8.5-11.9 Violated in 0 structures by 0.00 A. Peak 1722 from cnoeabs.peaks (2.88, 1.44, 25.61 ppm; 3.69 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=100 HE3 LYS 66 - HG3 LYS 39 far 0 87 0 - 7.6-12.7 HE2 LYS 66 - HG3 LYS 39 far 0 94 0 - 8.5-11.9 Violated in 0 structures by 0.00 A. Peak 1723 from cnoeabs.peaks (7.63, 1.44, 25.61 ppm; 5.57 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 40 + HG3 LYS 39 OK 100 100 100 100 2.5-4.6 6621/3.0=98, 6620/3.0=97...(25) H GLU 44 - HG3 LYS 39 poor 19 75 35 71 6.5-9.3 6702/8913=27...(10) Violated in 0 structures by 0.00 A. Peak 1724 from cnoeabs.peaks (8.08, 1.65, 29.36 ppm; 4.26 A): 4 out of 16 assignments used, quality = 1.00: * H LYS 39 + HD2 LYS 39 OK 100 100 100 100 3.5-4.4 6604/3.6=69, 1713/3.0=66...(27) H LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.8-4.7 6604/3.6=69, 1713/3.0=66...(26) H GLU 17 + HD2 LYS 20 OK 47 57 100 82 3.4-5.4 ~894=16, 425/2.8=15...(26) H GLU 17 + HD3 LYS 20 OK 45 63 90 79 3.4-6.1 6219/1.8=20, ~894=16...(23) H LYS 90 - HB3 ARG 91 far 2 32 5 - 4.8-6.2 H LYS 90 - HD2 LYS 94 far 1 29 5 - 5.6-10.8 H LYS 90 - HD2 LYS 20 far 0 36 0 - 7.6-10.5 H ILE 15 - HD2 LYS 20 far 0 66 0 - 7.6-9.8 H ILE 15 - HD3 LYS 20 far 0 72 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 40 0 - 7.9-10.9 H GLU 75 - HD2 LYS 68 far 0 94 0 - 8.6-12.1 H LYS 13 - HD2 LYS 20 far 0 66 0 - 8.8-10.9 H LYS 13 - HD3 LYS 20 far 0 73 0 - 8.8-12.1 H GLU 75 - HD3 LYS 39 far 0 93 0 - 9.2-11.3 H GLU 75 - HD2 LYS 39 far 0 100 0 - 9.5-12.2 H GLU 75 - HD3 LYS 68 far 0 94 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 1725 from cnoeabs.peaks (3.61, 1.65, 29.36 ppm; 4.86 A): 2 out of 4 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 100 100 100 100 4.5-5.3 4.9=95, 1670/3.0=46...(65) HA LYS 39 + HD3 LYS 39 OK 95 95 100 100 4.3-5.2 4.9=95, 1670/3.0=46...(65) HA LYS 39 - HD3 LYS 47 far 0 64 0 - 9.5-13.4 HA LYS 39 - HD2 LYS 47 far 0 66 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 1726 from cnoeabs.peaks (1.80, 1.65, 29.36 ppm; 3.21 A): 2 out of 45 assignments used, quality = 1.00: * HB2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.4-3.5 3.6=72, 1687/1.8=33...(62) HB2 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.0-3.2 3.6=72, 1686/1.8=33...(60) HB ILE 93 - HD2 LYS 94 poor 18 57 55 59 3.9-6.2 7507/6.3=13...(18) HB3 LYS 90 - HD2 LYS 94 poor 12 31 40 - 3.8-8.8 HB2 LYS 90 - HD2 LYS 94 poor 10 52 20 - 3.7-10.3 HG2 ARG 46 - HD2 LYS 47 far 7 48 15 - 4.6-9.3 HG2 ARG 46 - HD3 LYS 47 far 5 46 10 - 4.3-8.5 HB2 GLU 104 - HB3 ARG 91 far 3 58 5 - 3.6-17.8 HG3 ARG 19 - HD3 LYS 20 far 0 39 0 - 4.7-8.8 HB2 LYS 90 - HD2 LYS 20 far 0 62 0 - 5.3-9.6 HB2 GLU 88 - HB3 ARG 91 far 0 58 0 - 5.3-7.2 HB3 LYS 90 - HD2 LYS 20 far 0 37 0 - 5.3-8.5 HB2 GLU 104 - HD3 LYS 68 far 0 92 0 - 5.3-17.0 HG3 ARG 46 - HD2 LYS 47 far 0 63 0 - 5.3-9.5 HG3 ARG 19 - HD2 LYS 20 far 0 35 0 - 5.3-8.3 HB2 LYS 90 - HD3 LYS 20 far 0 69 0 - 5.4-10.0 HG3 ARG 46 - HD3 LYS 47 far 0 60 0 - 5.4-9.0 HB2 LYS 90 - HB3 ARG 91 far 0 56 0 - 5.5-7.4 HB3 LYS 90 - HD3 LYS 20 far 0 42 0 - 5.7-8.9 HB2 GLU 104 - HD2 LYS 68 far 0 92 0 - 5.7-18.5 HB3 LYS 90 - HB3 ARG 91 far 0 33 0 - 6.2-7.3 HB ILE 93 - HB3 ARG 91 far 0 60 0 - 6.4-7.2 HB2 LEU 42 - HD2 LYS 39 far 0 99 0 - 6.4-8.0 HB ILE 56 - HD3 LYS 68 far 0 60 0 - 6.5-8.1 HB2 LEU 42 - HD3 LYS 39 far 0 92 0 - 6.6-7.6 HB2 LYS 66 - HD2 LYS 39 far 0 73 0 - 6.7-11.4 HB VAL 78 - HD3 LYS 68 far 0 86 0 - 7.1-10.3 HB2 LYS 66 - HD3 LYS 39 far 0 65 0 - 7.6-11.3 HB3 LYS 82 - HD3 LYS 68 far 0 62 0 - 7.6-10.8 HB ILE 56 - HD2 LYS 68 far 0 60 0 - 7.6-9.6 HB VAL 78 - HD2 LYS 68 far 0 87 0 - 7.8-11.2 HB2 LYS 66 - HD3 LYS 68 far 0 66 0 - 8.1-10.6 HB2 LYS 66 - HD2 LYS 68 far 0 66 0 - 8.4-10.2 HG2 ARG 46 - HD3 LYS 39 far 0 73 0 - 8.7-11.7 HB ILE 93 - HD2 LYS 20 far 0 67 0 - 8.7-11.6 HB2 LEU 42 - HD3 LYS 47 far 0 61 0 - 8.8-11.7 HB3 LYS 82 - HD2 LYS 68 far 0 62 0 - 9.1-12.1 HB2 LEU 42 - HD2 LYS 47 far 0 64 0 - 9.1-11.8 HG2 ARG 46 - HD2 LYS 39 far 0 82 0 - 9.2-13.2 HB2 GLU 104 - HD2 LYS 94 far 0 54 0 - 9.2-19.9 HB3 GLU 63 - HD3 LYS 68 far 0 84 0 - 9.2-11.1 HB ILE 93 - HD3 LYS 20 far 0 74 0 - 9.2-11.1 HB3 LEU 57 - HB3 ARG 91 far 0 44 0 - 9.3-11.6 HG3 ARG 46 - HD3 LYS 39 far 0 91 0 - 9.4-12.5 HB2 GLU 88 - HD2 LYS 94 far 0 54 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 1727 from cnoeabs.peaks (1.86, 1.65, 29.36 ppm; 2.95 A): 8 out of 41 assignments used, quality = 1.00: * HB3 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.4-4.1 3.6=56, 1.8/1686=28...(42) HB3 LYS 39 + HD3 LYS 39 OK 93 95 100 98 2.3-3.6 3.6=56, 1.8/1686=28...(41) HB3 LYS 68 + HD2 LYS 68 OK 92 93 100 99 2.9-4.1 3.5=60, 1.8/3004=16...(75) HB3 LYS 68 + HD3 LYS 68 OK 92 93 100 99 2.2-4.2 3.5=60, 1.8/3004=16...(75) HB2 LYS 68 + HD2 LYS 68 OK 78 79 100 99 2.0-3.8 3.5=60, 3004/1.8=13...(76) HB2 LYS 68 + HD3 LYS 68 OK 78 79 100 99 2.1-3.7 3.5=60, 3.0/2992=15...(76) HB2 LYS 20 + HD3 LYS 20 OK 52 54 100 96 2.5-3.7 3.5=58, ~848=9...(62) HB2 LYS 20 + HD2 LYS 20 OK 47 49 100 96 2.4-3.6 3.5=58, ~848=9...(62) HB3 LYS 90 - HD2 LYS 94 poor 12 39 30 - 3.8-8.8 HB2 ARG 19 - HD2 LYS 20 poor 7 45 50 30 3.3-7.1 4.1/6312=9, 788/5.3=4...(12) HG2 ARG 46 - HD3 LYS 47 far 3 33 10 - 4.3-8.5 HB3 GLU 104 - HB3 ARG 91 far 3 59 5 - 4.0-18.0 HG2 ARG 46 - HD2 LYS 47 far 0 35 0 - 4.6-9.3 HB2 ARG 19 - HD3 LYS 20 far 0 50 0 - 4.6-7.0 HB3 LYS 90 - HD2 LYS 20 far 0 48 0 - 5.3-8.5 HB3 LYS 90 - HD3 LYS 20 far 0 53 0 - 5.7-8.9 HB3 LYS 90 - HB3 ARG 91 far 0 42 0 - 6.2-7.3 HG LEU 42 - HD3 LYS 39 far 0 61 0 - 6.3-8.4 HG LEU 42 - HD2 LYS 39 far 0 70 0 - 6.5-8.7 HB3 GLU 104 - HD3 LYS 68 far 0 94 0 - 6.6-18.3 HB3 GLU 104 - HD2 LYS 68 far 0 94 0 - 6.9-19.8 HB3 LYS 66 - HD3 LYS 68 far 0 95 0 - 7.9-10.0 HB3 GLU 104 - HD2 LYS 94 far 0 56 0 - 8.3-20.5 HB3 LYS 66 - HD2 LYS 68 far 0 96 0 - 8.4-9.8 HB3 LYS 66 - HD2 LYS 39 far 0 100 0 - 8.5-11.2 HB2 LYS 12 - HD2 LYS 20 far 0 68 0 - 8.6-12.2 HG2 ARG 46 - HD3 LYS 39 far 0 55 0 - 8.7-11.7 HB2 LYS 12 - HD3 LYS 20 far 0 75 0 - 8.7-13.0 HB2 LYS 20 - HD2 LYS 94 far 0 41 0 - 9.0-12.1 HB3 LYS 66 - HD3 LYS 39 far 0 94 0 - 9.0-11.6 HB VAL 54 - HD3 LYS 68 far 0 80 0 - 9.0-12.3 HB3 LYS 39 - HD3 LYS 47 far 0 64 0 - 9.1-14.0 HG2 ARG 46 - HD2 LYS 39 far 0 63 0 - 9.2-13.2 HB3 LYS 39 - HD2 LYS 47 far 0 66 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 36 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 32 0 - 9.3-11.3 HB3 LEU 57 - HB3 ARG 91 far 0 30 0 - 9.3-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 67 0 - 9.3-12.8 HB3 LYS 12 - HD3 LYS 20 far 0 74 0 - 9.5-13.8 HB VAL 54 - HD2 LYS 68 far 0 80 0 - 9.8-13.1 HB VAL 5 - HD2 LYS 94 far 0 57 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 1728 from cnoeabs.peaks (1.34, 1.65, 29.36 ppm; 2.70 A): 6 out of 34 assignments used, quality = 1.00: * HG2 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=76, 1.8/1719=31...(63) HG2 LYS 39 + HD3 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=76, 1.8/1719=30...(69) HG3 LYS 68 + HD3 LYS 68 OK 92 95 100 97 2.2-2.9 3.0=76, 3038/1.8=15...(68) HG3 LYS 68 + HD2 LYS 68 OK 92 95 100 97 2.2-2.9 3.0=76, 3038/1.8=15...(66) HG2 LYS 94 + HD2 LYS 94 OK 52 56 100 92 2.3-3.0 3.0=75, 2.9/4191=9...(29) HG3 LYS 94 + HD2 LYS 94 OK 28 31 100 91 2.2-3.0 3.0=75, 2.9/4191=9...(28) QB ALA 25 - HD2 LYS 94 poor 11 56 20 - 2.4-6.0 HB2 LEU 70 - HD2 LYS 39 far 0 87 0 - 4.4-7.3 HG3 LYS 94 - HB3 ARG 91 far 0 33 0 - 4.5-7.2 HG2 LYS 94 - HB3 ARG 91 far 0 60 0 - 4.5-7.6 HG3 LYS 40 - HD2 LYS 39 far 0 97 0 - 5.2-9.7 HB2 LEU 70 - HD3 LYS 39 far 0 78 0 - 5.2-6.6 QB ALA 67 - HD2 LYS 68 far 0 94 0 - 5.5-7.4 QB ALA 67 - HD3 LYS 68 far 0 94 0 - 5.6-6.6 QB ALA 89 - HB3 ARG 91 far 0 60 0 - 5.7-7.1 HB2 LYS 82 - HD3 LYS 68 far 0 95 0 - 6.7-9.1 QB ALA 89 - HD2 LYS 94 far 0 56 0 - 6.8-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 89 0 - 6.8-8.9 QB ALA 67 - HD2 LYS 39 far 0 99 0 - 6.9-9.0 QB ALA 67 - HD3 LYS 39 far 0 93 0 - 7.0-9.1 HG3 LYS 40 - HD3 LYS 47 far 0 58 0 - 7.1-11.1 HG3 LYS 40 - HD2 LYS 47 far 0 61 0 - 7.2-11.5 QB ALA 89 - HD3 LYS 20 far 0 74 0 - 7.3-9.9 HB2 LEU 70 - HD2 LYS 68 far 0 79 0 - 7.5-9.5 QB ALA 89 - HD2 LYS 20 far 0 67 0 - 7.6-9.4 HG LEU 14 - HD2 LYS 20 far 0 67 0 - 8.2-10.4 HB2 LYS 82 - HD2 LYS 68 far 0 95 0 - 8.2-10.4 HB2 LEU 70 - HD3 LYS 68 far 0 79 0 - 8.4-9.6 HG LEU 14 - HD3 LYS 20 far 0 74 0 - 8.4-10.7 HB3 LEU 27 - HD2 LYS 94 far 0 57 0 - 8.7-11.7 HG LEU 14 - HB3 ARG 91 far 0 60 0 - 8.8-11.8 QB ALA 25 - HB3 ARG 91 far 0 60 0 - 9.0-10.3 QB ALA 25 - HD3 LYS 20 far 0 74 0 - 9.2-10.6 QB ALA 25 - HD2 LYS 20 far 0 67 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 1729 from cnoeabs.peaks (1.44, 1.65, 29.36 ppm; 2.69 A): 6 out of 48 assignments used, quality = 1.00: * HG3 LYS 39 + HD2 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=75, 1720/1.8=31...(55) HG3 LYS 39 + HD3 LYS 39 OK 93 95 100 99 2.5-3.0 3.0=75, 1719/1.8=31...(57) HG2 LYS 20 + HD3 LYS 20 OK 65 67 100 97 2.3-3.0 2.8=84, 887/1.8=9...(67) HG2 LYS 20 + HD2 LYS 20 OK 59 61 100 97 2.4-2.6 2.8=84, 889/1.8=9...(68) HG3 ARG 91 + HB3 ARG 91 OK 53 58 100 92 2.4-3.0 2.8=84, 7445/3.9=15...(9) HG LEU 64 + HD3 LYS 68 OK 24 52 65 71 3.0-5.5 2.1/10242=22...(18) HD3 LYS 40 - HD2 LYS 39 far 4 87 5 - 3.8-9.2 QB ALA 71 - HD2 LYS 68 far 3 68 5 - 3.7-7.1 QB ALA 71 - HD3 LYS 68 far 3 67 5 - 4.2-6.8 HB2 LEU 38 - HD2 LYS 39 far 0 97 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 88 0 - 4.4-10.3 HG3 ARG 91 - HD2 LYS 94 far 0 54 0 - 4.7-10.2 HG LEU 64 - HD2 LYS 68 far 0 53 0 - 4.7-6.5 HB2 LEU 38 - HD3 LYS 39 far 0 89 0 - 4.8-7.7 HD3 LYS 40 - HD3 LYS 39 far 0 78 0 - 5.3-9.5 HG LEU 38 - HD3 LYS 39 far 0 85 0 - 5.6-9.1 HG LEU 38 - HD2 LYS 39 far 0 94 0 - 5.6-8.4 HD2 LYS 40 - HD3 LYS 39 far 0 79 0 - 6.1-9.0 QB ALA 22 - HD2 LYS 94 far 0 56 0 - 6.9-8.0 QB ALA 22 - HD2 LYS 20 far 0 67 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 67 0 - 7.2-11.2 HD2 LYS 82 - HD3 LYS 68 far 0 86 0 - 7.2-11.4 QB ALA 71 - HD2 LYS 39 far 0 75 0 - 7.4-9.7 QB ALA 71 - HD3 LYS 39 far 0 66 0 - 7.6-8.9 HG LEU 29 - HD3 LYS 20 far 0 74 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 74 0 - 7.8-8.7 HB2 LEU 27 - HD2 LYS 94 far 0 51 0 - 8.0-10.6 HD2 LYS 40 - HD3 LYS 47 far 0 50 0 - 8.1-11.9 HG13 ILE 76 - HD3 LYS 47 far 0 63 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 66 0 - 8.4-11.3 HG2 LYS 20 - HD2 LYS 94 far 0 51 0 - 8.5-12.6 HD2 LYS 40 - HD2 LYS 47 far 0 52 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 65 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 49 0 - 8.8-13.2 HG LEU 38 - HD2 LYS 68 far 0 87 0 - 8.9-13.1 HD2 LYS 82 - HD2 LYS 68 far 0 87 0 - 9.0-12.0 HG2 LYS 12 - HD2 LYS 20 far 0 67 0 - 9.0-12.7 HG LEU 38 - HD3 LYS 68 far 0 86 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 65 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 71 0 - 9.3-12.2 HG13 ILE 52 - HD3 LYS 47 far 0 57 0 - 9.3-13.4 QB ALA 22 - HB3 ARG 91 far 0 60 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 51 0 - 9.5-13.1 HG2 LYS 12 - HD3 LYS 20 far 0 74 0 - 9.6-13.2 HG3 LYS 39 - HD2 LYS 47 far 0 66 0 - 9.6-16.2 HG13 ILE 76 - HD3 LYS 39 far 0 94 0 - 9.7-11.6 HG LEU 29 - HD2 LYS 94 far 0 56 0 - 9.7-13.5 HG3 ARG 91 - HD3 LYS 20 far 0 71 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 1730 from cnoeabs.peaks (1.65, 1.65, 29.36 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 95 95 - 100 HD3 LYS 68 + HD3 LYS 68 OK 95 95 - 100 HD3 LYS 39 + HD3 LYS 39 OK 90 90 - 100 HD3 LYS 20 + HD3 LYS 20 OK 63 63 - 100 HD2 LYS 20 + HD2 LYS 20 OK 54 54 - 100 HD2 LYS 47 + HD2 LYS 47 OK 49 49 - 100 HD3 LYS 47 + HD3 LYS 47 OK 46 46 - 100 HB3 ARG 91 + HB3 ARG 91 OK 42 42 - 100 HD2 LYS 94 + HD2 LYS 94 OK 37 37 - 100 Peak 1731 from cnoeabs.peaks (1.64, 1.65, 29.36 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD2 LYS 39 + HD2 LYS 39 OK 98 98 - 100 HD3 LYS 39 + HD3 LYS 39 OK 95 95 - 100 HD3 LYS 68 + HD3 LYS 68 OK 93 93 - 100 HD2 LYS 68 + HD2 LYS 68 OK 92 92 - 100 HD2 LYS 94 + HD2 LYS 94 OK 50 50 - 100 HD3 LYS 20 + HD3 LYS 20 OK 46 46 - 100 HD2 LYS 20 + HD2 LYS 20 OK 37 37 - 100 HD2 LYS 47 + HD2 LYS 47 OK 32 32 - 100 Reference assignment not found: HD3 LYS 39 - HD2 LYS 39 Peak 1732 from cnoeabs.peaks (2.87, 1.65, 29.36 ppm; 2.95 A): 8 out of 19 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=97, 3.5/1719=19...(34) HE3 LYS 39 + HD2 LYS 39 OK 99 100 100 100 2.2-3.0 3.0=97, 3.5/1719=19...(34) HE2 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.2-3.0 3.0=97, 3.5/1719=19...(34) HE3 LYS 39 + HD3 LYS 39 OK 93 94 100 100 2.2-2.9 3.0=97, 3.5/1719=19...(34) HE3 LYS 68 + HD2 LYS 68 OK 56 56 100 99 2.6-3.0 3.0=96, 3.6/3038=9...(74) HE3 LYS 68 + HD3 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(76) HE2 LYS 68 + HD2 LYS 68 OK 52 53 100 99 2.3-3.0 3.0=96, 3.6/3038=9...(74) HE2 LYS 68 + HD3 LYS 68 OK 52 52 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(76) HE3 LYS 66 - HD3 LYS 39 far 0 68 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 87 0 - 6.3-10.6 HE3 LYS 66 - HD2 LYS 39 far 0 77 0 - 6.5-11.3 HE3 LYS 82 - HD3 LYS 68 far 0 88 0 - 7.0-12.8 HE3 LYS 66 - HD2 LYS 68 far 0 69 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 69 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 78 0 - 7.6-11.5 HE3 LYS 82 - HD2 LYS 68 far 0 89 0 - 8.2-13.8 HE2 LYS 66 - HD2 LYS 68 far 0 79 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 79 0 - 8.7-13.2 HE2 LYS 39 - HD2 LYS 47 far 0 66 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1733 from cnoeabs.peaks (2.88, 1.65, 29.36 ppm; 2.95 A): 13 out of 27 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 100 100 100 100 2.2-3.0 3.0=97, 3.5/1719=19...(34) HE2 LYS 39 + HD2 LYS 39 OK 99 100 100 100 2.2-3.0 3.0=97, 3.5/1719=19...(34) HE3 LYS 39 + HD3 LYS 39 OK 94 95 100 100 2.2-2.9 3.0=97, 3.5/1719=19...(34) HE2 LYS 39 + HD3 LYS 39 OK 93 94 100 100 2.2-3.0 3.0=97, 3.5/1719=19...(34) HE3 LYS 68 + HD2 LYS 68 OK 67 68 100 99 2.6-3.0 3.0=96, 3.6/3038=9...(76) HE3 LYS 68 + HD3 LYS 68 OK 67 67 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(77) HE2 LYS 68 + HD2 LYS 68 OK 64 64 100 99 2.3-3.0 3.0=96, 3.6/3038=9...(76) HE2 LYS 68 + HD3 LYS 68 OK 63 64 100 100 2.2-3.0 3.0=96, 3.6/3038=9...(77) HE2 LYS 20 + HD3 LYS 20 OK 43 43 100 99 2.3-3.0 3.0=96, 2959/1.8=7...(50) HE3 LYS 20 + HD3 LYS 20 OK 41 42 100 99 2.4-3.0 3.0=96, 3.6/1729=7...(50) HE2 LYS 20 + HD2 LYS 20 OK 38 39 100 99 2.2-3.0 3.0=96, 2959/1.8=6...(50) HE3 LYS 20 + HD2 LYS 20 OK 37 37 100 99 2.2-3.0 3.0=96, 2959/1.8=6...(50) HE3 LYS 94 + HD2 LYS 94 OK 33 33 100 100 2.2-3.0 3.0=100 HE3 LYS 94 - HB3 ARG 91 poor 14 35 40 - 2.9-8.3 HE3 LYS 66 - HD3 LYS 39 far 0 78 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 94 0 - 6.3-10.6 HE3 LYS 66 - HD2 LYS 39 far 0 87 0 - 6.5-11.3 HE3 LYS 82 - HD3 LYS 68 far 0 82 0 - 7.0-12.8 HE3 LYS 66 - HD2 LYS 68 far 0 79 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 79 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 85 0 - 7.6-11.5 HE3 LYS 82 - HD2 LYS 68 far 0 82 0 - 8.2-13.8 HE2 LYS 66 - HD2 LYS 68 far 0 87 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 86 0 - 8.7-13.2 HE2 LYS 20 - HD2 LYS 94 far 0 32 0 - 9.6-13.2 HE3 LYS 94 - HD3 LYS 20 far 0 45 0 - 9.7-14.2 HE2 LYS 39 - HD2 LYS 47 far 0 65 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1735 from cnoeabs.peaks (8.08, 1.64, 29.36 ppm; 4.57 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.8-4.7 6604/3.6=76, 1713/3.0=73...(27) H LYS 39 + HD2 LYS 39 OK 95 95 100 100 3.5-4.4 6604/3.6=76, 1713/3.0=73...(28) H LYS 90 - HD2 LYS 94 far 8 50 15 - 5.6-10.8 H GLU 75 - HD2 LYS 68 far 0 89 0 - 8.6-12.1 H GLU 75 - HD3 LYS 39 far 0 100 0 - 9.2-11.3 H GLU 75 - HD2 LYS 39 far 0 93 0 - 9.5-12.2 H GLU 75 - HD3 LYS 68 far 0 90 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 1736 from cnoeabs.peaks (3.61, 1.64, 29.36 ppm; 4.99 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 100 100 100 100 4.3-5.2 4.9=100 HA LYS 39 + HD2 LYS 39 OK 95 95 100 100 4.5-5.3 4.9=100 Violated in 0 structures by 0.00 A. Peak 1737 from cnoeabs.peaks (1.80, 1.64, 29.36 ppm; 3.18 A): 3 out of 25 assignments used, quality = 1.00: * HB2 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.0-3.2 3.6=69, 1686/1.8=33...(61) HB2 LYS 39 + HD2 LYS 39 OK 94 95 100 100 2.4-3.5 3.6=69, 1687/1.8=33...(62) HB ILE 93 + HD2 LYS 94 OK 24 88 45 61 3.9-6.2 7507/7517=14...(20) HB2 LYS 90 - HD2 LYS 94 poor 17 83 20 - 3.7-10.3 HB3 LYS 90 - HD2 LYS 94 lone 4 52 40 19 3.8-8.8 ~3916=5, 3.0/12322=5...(6) HB2 GLU 104 - HD3 LYS 68 far 0 88 0 - 5.3-17.0 HB2 GLU 104 - HD2 LYS 68 far 0 86 0 - 5.7-18.5 HB2 LEU 42 - HD2 LYS 39 far 0 92 0 - 6.4-8.0 HB ILE 56 - HD3 LYS 68 far 0 56 0 - 6.5-8.1 HB2 LEU 42 - HD3 LYS 39 far 0 99 0 - 6.6-7.6 HB2 LYS 66 - HD2 LYS 39 far 0 65 0 - 6.7-11.4 HB VAL 78 - HD3 LYS 68 far 0 81 0 - 7.1-10.3 HB2 LYS 66 - HD3 LYS 39 far 0 73 0 - 7.6-11.3 HB3 LYS 82 - HD3 LYS 68 far 0 58 0 - 7.6-10.8 HB ILE 56 - HD2 LYS 68 far 0 55 0 - 7.6-9.6 HB VAL 78 - HD2 LYS 68 far 0 80 0 - 7.8-11.2 HB2 LYS 66 - HD3 LYS 68 far 0 61 0 - 8.1-10.6 HB2 LYS 66 - HD2 LYS 68 far 0 60 0 - 8.4-10.2 HG2 ARG 46 - HD3 LYS 39 far 0 82 0 - 8.7-11.7 HB3 LYS 82 - HD2 LYS 68 far 0 57 0 - 9.1-12.1 HG2 ARG 46 - HD2 LYS 39 far 0 73 0 - 9.2-13.2 HB2 GLU 104 - HD2 LYS 94 far 0 85 0 - 9.2-19.9 HB3 GLU 63 - HD3 LYS 68 far 0 79 0 - 9.2-11.1 HG3 ARG 46 - HD3 LYS 39 far 0 99 0 - 9.4-12.5 HB2 GLU 88 - HD2 LYS 94 far 0 85 0 - 9.7-14.4 Violated in 0 structures by 0.00 A. Peak 1738 from cnoeabs.peaks (1.86, 1.64, 29.36 ppm; 3.03 A): 6 out of 22 assignments used, quality = 1.00: * HB3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.3-3.6 3.6=60, 1.8/1687=30...(41) HB3 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.4-4.1 3.6=60, 1.8/1687=29...(43) HB3 LYS 68 + HD3 LYS 68 OK 88 89 100 99 2.2-4.2 3.5=65, 1.8/3002=16...(78) HB3 LYS 68 + HD2 LYS 68 OK 87 88 100 99 2.9-4.1 3.5=65, 1.8/3002=16...(78) HB2 LYS 68 + HD3 LYS 68 OK 73 74 100 99 2.1-3.7 3.5=65, 3.0/2990=15...(79) HB2 LYS 68 + HD2 LYS 68 OK 72 73 100 99 2.0-3.8 3.5=65, 3004/1.8=13...(79) HB3 LYS 90 - HD2 LYS 94 lone 4 65 35 15 3.8-8.8 ~3916=5, 3.0/12322=4...(5) HG LEU 42 - HD3 LYS 39 far 0 70 0 - 6.3-8.4 HG LEU 42 - HD2 LYS 39 far 0 61 0 - 6.5-8.7 HB3 GLU 104 - HD3 LYS 68 far 0 89 0 - 6.6-18.3 HB3 GLU 104 - HD2 LYS 68 far 0 88 0 - 6.9-19.8 HB3 LYS 66 - HD3 LYS 68 far 0 91 0 - 7.9-10.0 HB3 GLU 104 - HD2 LYS 94 far 0 87 0 - 8.3-20.5 HB3 LYS 66 - HD2 LYS 68 far 0 90 0 - 8.4-9.8 HB3 LYS 66 - HD2 LYS 39 far 0 94 0 - 8.5-11.2 HG2 ARG 46 - HD3 LYS 39 far 0 63 0 - 8.7-11.7 HB2 LYS 20 - HD2 LYS 94 far 0 67 0 - 9.0-12.1 HB3 LYS 66 - HD3 LYS 39 far 0 100 0 - 9.0-11.6 HB VAL 54 - HD3 LYS 68 far 0 75 0 - 9.0-12.3 HG2 ARG 46 - HD2 LYS 39 far 0 55 0 - 9.2-13.2 HB VAL 54 - HD2 LYS 68 far 0 74 0 - 9.8-13.1 HB VAL 5 - HD2 LYS 94 far 0 89 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 1739 from cnoeabs.peaks (1.34, 1.64, 29.36 ppm; 2.69 A): 6 out of 21 assignments used, quality = 1.00: * HG2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=75, 1.8/1720=31...(69) HG2 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=75, 1.8/1720=30...(62) HG3 LYS 68 + HD3 LYS 68 OK 88 91 100 97 2.2-2.9 3.0=75, 3038/1.8=15...(67) HG3 LYS 68 + HD2 LYS 68 OK 87 90 100 97 2.2-2.9 3.0=75, 3038/1.8=15...(66) HG2 LYS 94 + HD2 LYS 94 OK 81 88 100 93 2.3-3.0 3.0=75, 2.9/4191=12...(29) HG3 LYS 94 + HD2 LYS 94 OK 48 52 100 92 2.2-3.0 3.0=75, 2.9/4191=12...(29) QB ALA 25 - HD2 LYS 94 poor 18 88 20 - 2.4-6.0 HB2 LEU 70 - HD2 LYS 39 far 0 78 0 - 4.4-7.3 HG3 LYS 40 - HD2 LYS 39 far 0 89 0 - 5.2-9.7 HB2 LEU 70 - HD3 LYS 39 far 0 87 0 - 5.2-6.6 QB ALA 67 - HD2 LYS 68 far 0 88 0 - 5.5-7.4 QB ALA 67 - HD3 LYS 68 far 0 89 0 - 5.6-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 91 0 - 6.7-9.1 QB ALA 89 - HD2 LYS 94 far 0 88 0 - 6.8-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 97 0 - 6.8-8.9 QB ALA 67 - HD2 LYS 39 far 0 93 0 - 6.9-9.0 QB ALA 67 - HD3 LYS 39 far 0 99 0 - 7.0-9.1 HB2 LEU 70 - HD2 LYS 68 far 0 73 0 - 7.5-9.5 HB2 LYS 82 - HD2 LYS 68 far 0 90 0 - 8.2-10.4 HB2 LEU 70 - HD3 LYS 68 far 0 74 0 - 8.4-9.6 HB3 LEU 27 - HD2 LYS 94 far 0 89 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 1740 from cnoeabs.peaks (1.44, 1.64, 29.36 ppm; 2.80 A): 3 out of 26 assignments used, quality = 1.00: * HG3 LYS 39 + HD3 LYS 39 OK 100 100 100 100 2.5-3.0 3.0=85, 1719/1.8=33...(58) HG3 LYS 39 + HD2 LYS 39 OK 94 95 100 100 2.2-3.0 3.0=85, 1720/1.8=33...(56) HG LEU 64 + HD3 LYS 68 OK 24 49 65 76 3.0-5.5 2.1/10242=27...(19) HD3 LYS 40 - HD2 LYS 39 far 4 78 5 - 3.8-9.2 QB ALA 71 - HD3 LYS 68 far 3 63 5 - 4.2-6.8 QB ALA 71 - HD2 LYS 68 far 3 62 5 - 3.7-7.1 HB2 LEU 38 - HD2 LYS 39 far 0 89 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 79 0 - 4.4-10.3 HG3 ARG 91 - HD2 LYS 94 far 0 85 0 - 4.7-10.2 HG LEU 64 - HD2 LYS 68 far 0 48 0 - 4.7-6.5 HB2 LEU 38 - HD3 LYS 39 far 0 97 0 - 4.8-7.7 HD3 LYS 40 - HD3 LYS 39 far 0 87 0 - 5.3-9.5 HG LEU 38 - HD3 LYS 39 far 0 94 0 - 5.6-9.1 HG LEU 38 - HD2 LYS 39 far 0 85 0 - 5.6-8.4 HD2 LYS 40 - HD3 LYS 39 far 0 88 0 - 6.1-9.0 QB ALA 22 - HD2 LYS 94 far 0 88 0 - 6.9-8.0 HD2 LYS 82 - HD3 LYS 68 far 0 81 0 - 7.2-11.4 QB ALA 71 - HD2 LYS 39 far 0 66 0 - 7.4-9.7 QB ALA 71 - HD3 LYS 39 far 0 75 0 - 7.6-8.9 HB2 LEU 27 - HD2 LYS 94 far 0 81 0 - 8.0-10.6 HG2 LYS 20 - HD2 LYS 94 far 0 81 0 - 8.5-12.6 HG LEU 38 - HD2 LYS 68 far 0 80 0 - 8.9-13.1 HD2 LYS 82 - HD2 LYS 68 far 0 80 0 - 9.0-12.0 HG LEU 38 - HD3 LYS 68 far 0 81 0 - 9.3-12.2 HG13 ILE 76 - HD3 LYS 39 far 0 100 0 - 9.7-11.6 HG LEU 29 - HD2 LYS 94 far 0 88 0 - 9.7-13.5 Violated in 0 structures by 0.00 A. Peak 1741 from cnoeabs.peaks (1.65, 1.64, 29.36 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 98 98 - 100 HD2 LYS 39 + HD2 LYS 39 OK 95 95 - 100 HD3 LYS 68 + HD3 LYS 68 OK 91 91 - 100 HD2 LYS 68 + HD2 LYS 68 OK 90 90 - 100 HD2 LYS 94 + HD2 LYS 94 OK 62 62 - 100 Reference assignment not found: HD2 LYS 39 - HD3 LYS 39 Peak 1742 from cnoeabs.peaks (1.64, 1.64, 29.36 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 90 90 - 100 HD3 LYS 68 + HD3 LYS 68 OK 88 88 - 100 HD2 LYS 68 + HD2 LYS 68 OK 86 86 - 100 HD2 LYS 94 + HD2 LYS 94 OK 80 80 - 100 Peak 1743 from cnoeabs.peaks (2.87, 1.64, 29.36 ppm; 2.97 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=99 HE3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.2-2.9 3.0=99 HE2 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=99 HE3 LYS 39 + HD2 LYS 39 OK 93 94 100 99 2.2-3.0 3.0=99 HE3 LYS 68 + HD3 LYS 68 OK 52 52 100 100 2.2-3.0 3.0=98, 3.6/3036=9...(77) HE3 LYS 68 + HD2 LYS 68 OK 51 51 100 100 2.6-3.0 3.0=98, 3.6/3036=9...(75) HE2 LYS 68 + HD3 LYS 68 OK 49 49 100 100 2.2-3.0 3.0=98, 3.6/3036=9...(77) HE2 LYS 68 + HD2 LYS 68 OK 48 48 100 100 2.3-3.0 3.0=98, 3.6/3036=9...(75) HE3 LYS 66 - HD3 LYS 39 far 0 77 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 78 0 - 6.3-10.6 HE3 LYS 66 - HD2 LYS 39 far 0 68 0 - 6.5-11.3 HE3 LYS 82 - HD3 LYS 68 far 0 84 0 - 7.0-12.8 HE3 LYS 66 - HD2 LYS 68 far 0 63 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 65 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 87 0 - 7.6-11.5 HE3 LYS 82 - HD2 LYS 68 far 0 82 0 - 8.2-13.8 HE2 LYS 66 - HD2 LYS 68 far 0 73 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 74 0 - 8.7-13.2 Violated in 0 structures by 0.00 A. Peak 1744 from cnoeabs.peaks (2.88, 1.64, 29.36 ppm; 2.97 A): 9 out of 20 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.2-2.9 3.0=99 HE2 LYS 39 + HD3 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=99 HE3 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=99 HE2 LYS 39 + HD2 LYS 39 OK 93 94 100 99 2.2-3.0 3.0=99 HE3 LYS 68 + HD3 LYS 68 OK 63 63 100 100 2.2-3.0 3.0=98, 3.6/3036=9...(79) HE3 LYS 68 + HD2 LYS 68 OK 62 62 100 100 2.6-3.0 3.0=98, 3.6/3036=9...(77) HE2 LYS 68 + HD3 LYS 68 OK 59 59 100 100 2.2-3.0 3.0=98, 3.6/3036=9...(79) HE2 LYS 68 + HD2 LYS 68 OK 58 58 100 100 2.3-3.0 3.0=98, 3.6/3036=9...(77) HE3 LYS 94 + HD2 LYS 94 OK 55 55 100 100 2.2-3.0 3.0=100 HE3 LYS 66 - HD3 LYS 39 far 0 87 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 85 0 - 6.3-10.6 HE3 LYS 66 - HD2 LYS 39 far 0 78 0 - 6.5-11.3 HE3 LYS 82 - HD3 LYS 68 far 0 77 0 - 7.0-12.8 HE3 LYS 66 - HD2 LYS 68 far 0 73 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 74 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 94 0 - 7.6-11.5 HE3 LYS 82 - HD2 LYS 68 far 0 76 0 - 8.2-13.8 HE2 LYS 66 - HD2 LYS 68 far 0 80 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 81 0 - 8.7-13.2 HE2 LYS 20 - HD2 LYS 94 far 0 54 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 1748 from cnoeabs.peaks (1.80, 2.87, 41.80 ppm; 3.91 A): 5 out of 22 assignments used, quality = 1.00: * HB2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.4-4.6 4.9=50, 1686/3.0=35...(65) HB2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 1.9-4.6 4.9=50, 1686/3.0=35...(62) HB2 LYS 66 + HE2 LYS 66 OK 46 46 100 100 2.1-4.6 4.7=57, 2943/2.9=34...(44) HB3 LYS 82 + HE3 LYS 82 OK 38 38 100 99 2.3-3.1 1.8/3657=56, 4.8=54...(17) HB2 LYS 66 + HE3 LYS 66 OK 35 35 100 100 2.0-4.4 4.7=57, 2943/2.9=34...(44) HB2 LYS 39 - HE3 LYS 66 far 0 57 0 - 5.6-11.5 HB2 LYS 39 - HE2 LYS 66 far 0 73 0 - 6.3-12.6 HB3 GLU 63 - HE3 LYS 82 far 0 55 0 - 6.6-10.5 HB2 LEU 42 - HE3 LYS 39 far 0 98 0 - 6.7-8.8 HB2 LEU 42 - HE2 LYS 39 far 0 99 0 - 6.7-9.0 HB2 GLU 88 - HE3 LYS 82 far 0 62 0 - 7.1-11.7 HB3 GLU 63 - HE2 LYS 66 far 0 62 0 - 7.2-10.4 HB3 GLU 63 - HE3 LYS 66 far 0 48 0 - 7.8-9.8 HB2 LYS 66 - HE2 LYS 39 far 0 73 0 - 8.0-13.1 HG2 ARG 46 - HE2 LYS 39 far 0 82 0 - 8.1-12.7 HG2 ARG 46 - HE3 LYS 39 far 0 80 0 - 8.1-12.3 HB2 LYS 66 - HE3 LYS 39 far 0 71 0 - 8.9-12.8 HG3 ARG 46 - HE2 LYS 39 far 0 99 0 - 9.0-13.6 HB ILE 56 - HE3 LYS 82 far 0 37 0 - 9.1-11.8 HG3 ARG 46 - HE3 LYS 39 far 0 97 0 - 9.1-13.4 HB2 LEU 42 - HE3 LYS 66 far 0 55 0 - 9.7-13.8 HB2 GLU 104 - HE3 LYS 82 far 0 62 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 1749 from cnoeabs.peaks (1.86, 2.87, 41.80 ppm; 3.81 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 3.2-4.7 4.9=46, 1.8/1688=29...(42) HB3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 3.1-5.0 4.9=46, 1.8/1688=29...(42) HB3 LYS 66 + HE2 LYS 66 OK 73 73 100 100 3.3-5.1 4.7=52, 2904/2.9=47...(43) HB3 LYS 66 + HE3 LYS 66 OK 57 57 100 100 3.4-4.6 4.7=52, 2904/2.9=47...(44) HB3 LYS 68 - HE3 LYS 66 far 0 55 0 - 6.2-9.1 HB3 LYS 39 - HE3 LYS 66 far 0 57 0 - 6.5-12.1 HG LEU 42 - HE2 LYS 39 far 0 70 0 - 7.0-10.1 HG LEU 42 - HE3 LYS 39 far 0 68 0 - 7.0-9.9 HB2 LYS 68 - HE3 LYS 66 far 0 44 0 - 7.2-10.6 HB3 LYS 68 - HE2 LYS 66 far 0 71 0 - 7.4-9.2 HB3 LYS 68 - HE3 LYS 82 far 0 63 0 - 7.6-12.2 HB3 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.6-13.5 HB2 LYS 68 - HE3 LYS 82 far 0 50 0 - 8.0-13.1 HG2 ARG 46 - HE2 LYS 39 far 0 63 0 - 8.1-12.7 HG2 ARG 46 - HE3 LYS 39 far 0 62 0 - 8.1-12.3 HB2 LYS 68 - HE2 LYS 66 far 0 57 0 - 8.3-10.7 HB ILE 8 - HE2 LYS 66 far 0 45 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 82 far 0 39 0 - 8.8-10.3 HB ILE 8 - HE3 LYS 66 far 0 34 0 - 8.8-11.5 HB3 LYS 66 - HE3 LYS 82 far 0 65 0 - 9.0-12.7 HB3 LYS 66 - HE2 LYS 39 far 0 100 0 - 9.2-13.2 HG LEU 42 - HE3 LYS 66 far 0 33 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 44 0 - 9.4-14.1 HB3 GLU 104 - HE3 LYS 82 far 0 64 0 - 9.8-18.5 Violated in 0 structures by 0.00 A. Peak 1750 from cnoeabs.peaks (1.34, 2.87, 41.80 ppm; 3.42 A): 3 out of 22 assignments used, quality = 1.00: * HG2 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=90, 3.0/1688=19...(72) HG2 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.1-4.1 3.5=90, 3.0/1688=19...(69) HB2 LYS 82 + HE3 LYS 82 OK 65 65 100 99 2.0-4.0 1.8/3668=50, 3657=41...(16) HB2 LEU 70 - HE2 LYS 39 far 4 87 5 - 4.9-9.0 HB2 LEU 70 - HE3 LYS 66 far 2 44 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 0 57 0 - 5.1-9.9 QB ALA 67 - HE3 LYS 66 far 0 56 0 - 5.4-6.6 QB ALA 67 - HE2 LYS 66 far 0 71 0 - 5.5-7.4 HG3 LYS 40 - HE2 LYS 39 far 0 97 0 - 5.7-10.7 HG3 LYS 40 - HE3 LYS 39 far 0 96 0 - 5.7-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 85 0 - 5.7-8.6 HG2 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.5-11.7 HG3 LYS 68 - HE3 LYS 66 far 0 57 0 - 7.7-11.3 QB ALA 67 - HE3 LYS 39 far 0 98 0 - 7.7-10.4 HG2 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.8-11.9 QB ALA 67 - HE2 LYS 39 far 0 99 0 - 8.1-10.8 QB ALA 67 - HE3 LYS 82 far 0 64 0 - 8.3-11.0 QB ALA 89 - HE3 LYS 82 far 0 64 0 - 8.6-10.9 HG3 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.9-11.6 HG3 LYS 68 - HE3 LYS 82 far 0 65 0 - 9.0-14.4 HG12 ILE 8 - HE2 LYS 66 far 0 64 0 - 9.1-13.2 HG12 ILE 8 - HE3 LYS 66 far 0 49 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 1751 from cnoeabs.peaks (1.44, 2.87, 41.80 ppm; 3.35 A): 3 out of 27 assignments used, quality = 1.00: * HG3 LYS 39 + HE2 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=85, 1720/3.0=30...(74) HG3 LYS 39 + HE3 LYS 39 OK 99 99 100 100 2.0-4.2 3.5=85, 1720/3.0=30...(71) HD2 LYS 82 + HE3 LYS 82 OK 57 57 100 100 2.3-3.0 3.0=100 HB2 LEU 38 - HE3 LYS 39 far 5 96 5 - 4.5-9.8 HG LEU 64 - HE3 LYS 82 far 5 32 15 - 4.6-8.5 HD3 LYS 40 - HE2 LYS 39 far 4 87 5 - 4.3-10.5 HD3 LYS 40 - HE3 LYS 39 far 4 85 5 - 4.7-10.0 HG LEU 38 - HE3 LYS 66 far 0 49 0 - 5.1-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 88 0 - 5.1-11.3 HD2 LYS 40 - HE3 LYS 39 far 0 86 0 - 5.2-10.5 HB2 LEU 38 - HE3 LYS 66 far 0 52 0 - 5.3-9.6 HG LEU 38 - HE2 LYS 66 far 0 64 0 - 5.4-12.2 HB2 LEU 38 - HE2 LYS 39 far 0 97 0 - 5.5-9.5 HB2 LEU 38 - HE2 LYS 66 far 0 68 0 - 5.6-10.4 HG LEU 38 - HE3 LYS 39 far 0 92 0 - 6.8-10.4 HG LEU 64 - HE3 LYS 66 far 0 27 0 - 7.2-11.0 QB ALA 71 - HE2 LYS 39 far 0 75 0 - 7.3-10.9 QB ALA 71 - HE3 LYS 66 far 0 36 0 - 7.5-9.7 HG LEU 38 - HE2 LYS 39 far 0 94 0 - 7.5-10.6 HG3 LYS 39 - HE3 LYS 66 far 0 57 0 - 7.6-12.7 QB ALA 71 - HE3 LYS 39 far 0 73 0 - 7.7-10.0 QB ALA 71 - HE2 LYS 66 far 0 48 0 - 7.8-10.7 HG LEU 64 - HE2 LYS 66 far 0 36 0 - 8.1-10.8 HG3 LYS 39 - HE2 LYS 66 far 0 73 0 - 8.5-11.9 HG13 ILE 76 - HE3 LYS 39 far 0 99 0 - 9.6-12.3 HG13 ILE 76 - HE2 LYS 39 far 0 100 0 - 9.8-12.9 HD2 LYS 82 - HE3 LYS 66 far 0 49 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 1752 from cnoeabs.peaks (1.65, 2.87, 41.80 ppm; 2.89 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=91, 1719/3.5=18...(39) HD2 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.2-3.0 3.0=91, 1719/3.5=18...(38) HD3 LYS 39 + HE2 LYS 39 OK 97 98 100 99 2.2-3.0 3.0=91, 1719/3.5=18...(39) HD3 LYS 39 + HE3 LYS 39 OK 95 96 100 99 2.2-2.9 3.0=91, 1719/3.5=18...(38) HB2 LYS 40 - HE2 LYS 39 far 15 99 15 - 3.5-8.8 HD2 LYS 73 - HE2 LYS 39 far 15 98 15 - 3.0-10.0 HD3 LYS 73 - HE2 LYS 39 far 10 99 10 - 3.7-10.2 HB2 LYS 40 - HE3 LYS 39 far 10 98 10 - 4.1-8.2 HD2 LYS 73 - HE3 LYS 39 far 10 96 10 - 4.0-9.0 HD3 LYS 73 - HE3 LYS 39 far 5 97 5 - 4.0-9.3 HB3 LYS 40 - HE2 LYS 39 far 0 79 0 - 5.1-9.7 HD2 LYS 73 - HE3 LYS 66 far 0 53 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 68 0 - 5.6-11.5 HB3 LYS 40 - HE3 LYS 39 far 0 77 0 - 5.7-9.2 HG2 LYS 68 - HE3 LYS 66 far 0 54 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 53 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 73 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 57 0 - 6.5-11.3 HD3 LYS 68 - HE3 LYS 82 far 0 65 0 - 7.0-12.8 HD3 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 54 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 69 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 57 0 - 7.3-12.3 HG2 LYS 68 - HE3 LYS 82 far 0 61 0 - 7.4-13.9 HD3 LYS 68 - HE3 LYS 66 far 0 57 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 68 0 - 7.6-11.5 HD2 LYS 68 - HE3 LYS 82 far 0 65 0 - 8.2-13.8 HD2 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 73 0 - 8.7-13.2 HG3 LYS 47 - HE2 LYS 39 far 0 73 0 - 9.7-15.9 HB ILE 76 - HE3 LYS 39 far 0 98 0 - 9.7-13.3 HD2 LYS 47 - HE2 LYS 39 far 0 84 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1753 from cnoeabs.peaks (1.64, 2.87, 41.80 ppm; 2.89 A): 4 out of 30 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=91, 1720/3.5=18...(40) HD3 LYS 39 + HE3 LYS 39 OK 98 99 100 99 2.2-2.9 3.0=91, 1720/3.5=18...(40) HD2 LYS 39 + HE2 LYS 39 OK 97 98 100 99 2.2-3.0 3.0=91, 1720/3.5=18...(39) HD2 LYS 39 + HE3 LYS 39 OK 95 96 100 99 2.2-3.0 3.0=91, 1720/3.5=18...(38) HB2 LYS 40 - HE2 LYS 39 far 15 100 15 - 3.5-8.8 HD2 LYS 73 - HE2 LYS 39 far 13 84 15 - 3.0-10.0 HB2 LYS 40 - HE3 LYS 39 far 10 99 10 - 4.1-8.2 HD3 LYS 73 - HE2 LYS 39 far 9 87 10 - 3.7-10.2 HD2 LYS 73 - HE3 LYS 39 far 8 82 10 - 4.0-9.0 HD3 LYS 73 - HE3 LYS 39 far 4 85 5 - 4.0-9.3 HD2 LYS 73 - HE3 LYS 66 far 0 42 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 55 0 - 5.6-11.5 HG2 LYS 68 - HE3 LYS 66 far 0 57 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 57 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 68 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 53 0 - 6.5-11.3 HD3 LYS 68 - HE3 LYS 82 far 0 63 0 - 7.0-12.8 HD3 LYS 73 - HE2 LYS 66 far 0 57 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 44 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 73 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 54 0 - 7.3-12.3 HG2 LYS 68 - HE3 LYS 82 far 0 65 0 - 7.4-13.9 HD3 LYS 68 - HE3 LYS 66 far 0 55 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 73 0 - 7.6-11.5 HD2 LYS 68 - HE3 LYS 82 far 0 62 0 - 8.2-13.8 HD2 LYS 68 - HE2 LYS 66 far 0 70 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 70 0 - 8.7-13.2 HG3 LYS 47 - HE2 LYS 39 far 0 93 0 - 9.7-15.9 HB ILE 76 - HE3 LYS 39 far 0 99 0 - 9.7-13.3 HD2 LYS 47 - HE2 LYS 39 far 0 59 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1754 from cnoeabs.peaks (2.87, 2.87, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 HE3 LYS 82 + HE3 LYS 82 OK 58 58 - 100 HE2 LYS 66 + HE2 LYS 66 OK 57 57 - 100 HE3 LYS 66 + HE3 LYS 66 OK 37 37 - 100 Peak 1755 from cnoeabs.peaks (2.88, 2.87, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 HE2 LYS 66 + HE2 LYS 66 OK 64 64 - 100 HE3 LYS 82 + HE3 LYS 82 OK 53 53 - 100 HE3 LYS 66 + HE3 LYS 66 OK 44 44 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 1757 from cnoeabs.peaks (8.08, 2.88, 41.80 ppm; 5.53 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.6-6.6 1713/3.5=86, 1702/3.5=79...(17) H LYS 39 + HE2 LYS 39 OK 99 99 100 100 4.2-6.4 1713/3.5=86, 1702/3.5=79...(17) H LYS 39 - HE3 LYS 66 poor 15 73 20 - 6.3-10.6 H LYS 39 - HE2 LYS 66 far 9 87 10 - 6.5-11.7 H GLU 75 - HE3 LYS 39 far 0 100 0 - 8.3-12.1 H GLU 75 - HE2 LYS 39 far 0 99 0 - 8.4-12.6 Violated in 1 structures by 0.01 A. Peak 1759 from cnoeabs.peaks (1.80, 2.88, 41.80 ppm; 3.91 A): 5 out of 22 assignments used, quality = 1.00: * HB2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 1.9-4.6 4.9=50, 1686/3.0=35...(63) HB2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 3.4-4.6 4.9=50, 1686/3.0=35...(65) HB2 LYS 66 + HE2 LYS 66 OK 57 57 100 100 2.1-4.6 4.7=57, 2943/2.9=34...(44) HB2 LYS 66 + HE3 LYS 66 OK 46 46 100 100 2.0-4.4 4.7=57, 2943/2.9=34...(44) HB3 LYS 82 + HE3 LYS 82 OK 31 31 100 99 2.3-3.1 4.8=54, 1.8/3657=51...(17) HB2 LYS 39 - HE3 LYS 66 far 0 73 0 - 5.6-11.5 HB2 LYS 39 - HE2 LYS 66 far 0 87 0 - 6.3-12.6 HB3 GLU 63 - HE3 LYS 82 far 0 45 0 - 6.6-10.5 HB2 LEU 42 - HE3 LYS 39 far 0 99 0 - 6.7-8.8 HB2 LEU 42 - HE2 LYS 39 far 0 98 0 - 6.7-9.0 HB2 GLU 88 - HE3 LYS 82 far 0 52 0 - 7.1-11.7 HB3 GLU 63 - HE2 LYS 66 far 0 75 0 - 7.2-10.4 HB3 GLU 63 - HE3 LYS 66 far 0 62 0 - 7.8-9.8 HB2 LYS 66 - HE2 LYS 39 far 0 71 0 - 8.0-13.1 HG2 ARG 46 - HE2 LYS 39 far 0 80 0 - 8.1-12.7 HG2 ARG 46 - HE3 LYS 39 far 0 82 0 - 8.1-12.3 HB2 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.9-12.8 HG3 ARG 46 - HE2 LYS 39 far 0 97 0 - 9.0-13.6 HB ILE 56 - HE3 LYS 82 far 0 30 0 - 9.1-11.8 HG3 ARG 46 - HE3 LYS 39 far 0 99 0 - 9.1-13.4 HB2 LEU 42 - HE3 LYS 66 far 0 71 0 - 9.7-13.8 HB2 GLU 104 - HE3 LYS 82 far 0 52 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 1760 from cnoeabs.peaks (1.86, 2.88, 41.80 ppm; 3.81 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 3.1-5.0 4.9=46, 1.8/1689=29...(42) HB3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 3.2-4.7 4.9=46, 1.8/1689=29...(42) HB3 LYS 66 + HE2 LYS 66 OK 87 87 100 100 3.3-5.1 4.7=52, 2904/2.9=47...(43) HB3 LYS 66 + HE3 LYS 66 OK 73 73 100 100 3.4-4.6 4.7=52, 2904/2.9=47...(44) HB3 LYS 68 - HE3 LYS 66 far 0 71 0 - 6.2-9.1 HB3 LYS 39 - HE3 LYS 66 far 0 73 0 - 6.5-12.1 HG LEU 42 - HE2 LYS 39 far 0 68 0 - 7.0-10.1 HG LEU 42 - HE3 LYS 39 far 0 70 0 - 7.0-9.9 HB2 LYS 68 - HE3 LYS 66 far 0 57 0 - 7.2-10.6 HB3 LYS 68 - HE2 LYS 66 far 0 84 0 - 7.4-9.2 HB3 LYS 68 - HE3 LYS 82 far 0 53 0 - 7.6-12.2 HB3 LYS 39 - HE2 LYS 66 far 0 87 0 - 7.6-13.5 HB2 LYS 68 - HE3 LYS 82 far 0 42 0 - 8.0-13.1 HG2 ARG 46 - HE2 LYS 39 far 0 62 0 - 8.1-12.7 HG2 ARG 46 - HE3 LYS 39 far 0 63 0 - 8.1-12.3 HB2 LYS 68 - HE2 LYS 66 far 0 70 0 - 8.3-10.7 HB ILE 8 - HE2 LYS 66 far 0 56 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 82 far 0 32 0 - 8.8-10.3 HB ILE 8 - HE3 LYS 66 far 0 45 0 - 8.8-11.5 HB3 LYS 66 - HE3 LYS 82 far 0 55 0 - 9.0-12.7 HB3 LYS 66 - HE2 LYS 39 far 0 99 0 - 9.2-13.2 HG LEU 42 - HE3 LYS 66 far 0 44 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 54 0 - 9.4-14.1 HB3 GLU 104 - HE3 LYS 82 far 0 53 0 - 9.8-18.5 Violated in 0 structures by 0.00 A. Peak 1761 from cnoeabs.peaks (1.34, 2.88, 41.80 ppm; 3.42 A): 3 out of 22 assignments used, quality = 1.00: * HG2 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.1-4.1 3.5=90, 3.0/1689=19...(69) HG2 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.0-4.2 3.5=90, 3.0/1689=19...(72) HB2 LYS 82 + HE3 LYS 82 OK 54 55 100 99 2.0-4.0 1.8/3668=46, 3657=38...(16) HB2 LEU 70 - HE2 LYS 39 far 4 85 5 - 4.9-9.0 HB2 LEU 70 - HE3 LYS 66 far 3 57 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 0 70 0 - 5.1-9.9 QB ALA 67 - HE3 LYS 66 far 0 71 0 - 5.4-6.6 QB ALA 67 - HE2 LYS 66 far 0 85 0 - 5.5-7.4 HG3 LYS 40 - HE2 LYS 39 far 0 96 0 - 5.7-10.7 HG3 LYS 40 - HE3 LYS 39 far 0 97 0 - 5.7-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 87 0 - 5.7-8.6 HG2 LYS 39 - HE2 LYS 66 far 0 87 0 - 7.5-11.7 HG3 LYS 68 - HE3 LYS 66 far 0 73 0 - 7.7-11.3 QB ALA 67 - HE3 LYS 39 far 0 99 0 - 7.7-10.4 HG2 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.8-11.9 QB ALA 67 - HE2 LYS 39 far 0 98 0 - 8.1-10.8 QB ALA 67 - HE3 LYS 82 far 0 53 0 - 8.3-11.0 QB ALA 89 - HE3 LYS 82 far 0 54 0 - 8.6-10.9 HG3 LYS 68 - HE2 LYS 66 far 0 86 0 - 8.9-11.6 HG3 LYS 68 - HE3 LYS 82 far 0 54 0 - 9.0-14.4 HG12 ILE 8 - HE2 LYS 66 far 0 77 0 - 9.1-13.2 HG12 ILE 8 - HE3 LYS 66 far 0 64 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 1762 from cnoeabs.peaks (1.44, 2.88, 41.80 ppm; 3.35 A): 3 out of 27 assignments used, quality = 1.00: * HG3 LYS 39 + HE3 LYS 39 OK 100 100 100 100 2.0-4.2 3.5=85, 1720/3.0=30...(71) HG3 LYS 39 + HE2 LYS 39 OK 99 99 100 100 2.0-4.2 3.5=85, 1720/3.0=30...(74) HD2 LYS 82 + HE3 LYS 82 OK 47 47 100 100 2.3-3.0 3.0=100 HB2 LEU 38 - HE3 LYS 39 far 5 97 5 - 4.5-9.8 HD3 LYS 40 - HE3 LYS 39 far 4 87 5 - 4.7-10.0 HD3 LYS 40 - HE2 LYS 39 far 4 85 5 - 4.3-10.5 HG LEU 64 - HE3 LYS 82 far 4 26 15 - 4.6-8.5 HG LEU 38 - HE3 LYS 66 far 0 64 0 - 5.1-11.4 HD2 LYS 40 - HE2 LYS 39 far 0 86 0 - 5.1-11.3 HD2 LYS 40 - HE3 LYS 39 far 0 88 0 - 5.2-10.5 HB2 LEU 38 - HE3 LYS 66 far 0 68 0 - 5.3-9.6 HG LEU 38 - HE2 LYS 66 far 0 77 0 - 5.4-12.2 HB2 LEU 38 - HE2 LYS 39 far 0 96 0 - 5.5-9.5 HB2 LEU 38 - HE2 LYS 66 far 0 81 0 - 5.6-10.4 HG LEU 38 - HE3 LYS 39 far 0 94 0 - 6.8-10.4 HG LEU 64 - HE3 LYS 66 far 0 36 0 - 7.2-11.0 QB ALA 71 - HE2 LYS 39 far 0 73 0 - 7.3-10.9 QB ALA 71 - HE3 LYS 66 far 0 48 0 - 7.5-9.7 HG LEU 38 - HE2 LYS 39 far 0 92 0 - 7.5-10.6 HG3 LYS 39 - HE3 LYS 66 far 0 73 0 - 7.6-12.7 QB ALA 71 - HE3 LYS 39 far 0 75 0 - 7.7-10.0 QB ALA 71 - HE2 LYS 66 far 0 59 0 - 7.8-10.7 HG LEU 64 - HE2 LYS 66 far 0 45 0 - 8.1-10.8 HG3 LYS 39 - HE2 LYS 66 far 0 87 0 - 8.5-11.9 HG13 ILE 76 - HE3 LYS 39 far 0 100 0 - 9.6-12.3 HG13 ILE 76 - HE2 LYS 39 far 0 99 0 - 9.8-12.9 HD2 LYS 82 - HE3 LYS 66 far 0 64 0 - 9.9-15.5 Violated in 0 structures by 0.00 A. Peak 1763 from cnoeabs.peaks (1.65, 2.88, 41.80 ppm; 2.89 A): 4 out of 32 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.2-3.0 3.0=91, 1719/3.5=18...(38) HD2 LYS 39 + HE2 LYS 39 OK 98 99 100 99 2.2-3.0 3.0=91, 1719/3.5=18...(39) HD3 LYS 39 + HE3 LYS 39 OK 97 98 100 99 2.2-2.9 3.0=91, 1719/3.5=18...(38) HD3 LYS 39 + HE2 LYS 39 OK 95 96 100 99 2.2-3.0 3.0=91, 1719/3.5=18...(39) HB2 LYS 40 - HE2 LYS 39 far 15 98 15 - 3.5-8.8 HD2 LYS 73 - HE2 LYS 39 far 14 96 15 - 3.0-10.0 HB2 LYS 40 - HE3 LYS 39 far 10 99 10 - 4.1-8.2 HD2 LYS 73 - HE3 LYS 39 far 10 98 10 - 4.0-9.0 HD3 LYS 73 - HE2 LYS 39 far 10 97 10 - 3.7-10.2 HD3 LYS 73 - HE3 LYS 39 far 5 99 5 - 4.0-9.3 HB3 LYS 40 - HE2 LYS 39 far 0 77 0 - 5.1-9.7 HD2 LYS 73 - HE3 LYS 66 far 0 68 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 82 0 - 5.6-11.5 HB3 LYS 40 - HE3 LYS 39 far 0 79 0 - 5.7-9.2 HG2 LYS 68 - HE3 LYS 66 far 0 69 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 68 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 87 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 73 0 - 6.5-11.3 HD3 LYS 68 - HE3 LYS 82 far 0 54 0 - 7.0-12.8 HD3 LYS 73 - HE2 LYS 66 far 0 83 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 70 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 83 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 73 0 - 7.3-12.3 HG2 LYS 68 - HE3 LYS 82 far 0 51 0 - 7.4-13.9 HD3 LYS 68 - HE3 LYS 66 far 0 73 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 82 0 - 7.6-11.5 HD2 LYS 68 - HE3 LYS 82 far 0 55 0 - 8.2-13.8 HD2 LYS 68 - HE2 LYS 66 far 0 87 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 87 0 - 8.7-13.2 HG3 LYS 47 - HE2 LYS 39 far 0 71 0 - 9.7-15.9 HB ILE 76 - HE3 LYS 39 far 0 99 0 - 9.7-13.3 HD2 LYS 47 - HE2 LYS 39 far 0 82 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1764 from cnoeabs.peaks (1.64, 2.88, 41.80 ppm; 2.89 A): 4 out of 30 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 99 100 100 99 2.2-2.9 3.0=91, 1720/3.5=18...(40) HD3 LYS 39 + HE2 LYS 39 OK 98 99 100 99 2.2-3.0 3.0=91, 1720/3.5=18...(40) HD2 LYS 39 + HE3 LYS 39 OK 96 98 100 99 2.2-3.0 3.0=91, 1720/3.5=18...(38) HD2 LYS 39 + HE2 LYS 39 OK 95 96 100 99 2.2-3.0 3.0=91, 1720/3.5=18...(39) HB2 LYS 40 - HE2 LYS 39 far 15 99 15 - 3.5-8.8 HD2 LYS 73 - HE2 LYS 39 far 12 82 15 - 3.0-10.0 HB2 LYS 40 - HE3 LYS 39 far 10 100 10 - 4.1-8.2 HD3 LYS 73 - HE2 LYS 39 far 8 85 10 - 3.7-10.2 HD2 LYS 73 - HE3 LYS 39 far 8 84 10 - 4.0-9.0 HD3 LYS 73 - HE3 LYS 39 far 4 87 5 - 4.0-9.3 HD2 LYS 73 - HE3 LYS 66 far 0 55 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 67 0 - 5.6-11.5 HG2 LYS 68 - HE3 LYS 66 far 0 73 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 73 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 82 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 68 0 - 6.5-11.3 HD3 LYS 68 - HE3 LYS 82 far 0 52 0 - 7.0-12.8 HD3 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 57 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 87 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 70 0 - 7.3-12.3 HG2 LYS 68 - HE3 LYS 82 far 0 55 0 - 7.4-13.9 HD3 LYS 68 - HE3 LYS 66 far 0 70 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 87 0 - 7.6-11.5 HD2 LYS 68 - HE3 LYS 82 far 0 52 0 - 8.2-13.8 HD2 LYS 68 - HE2 LYS 66 far 0 83 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 84 0 - 8.7-13.2 HG3 LYS 47 - HE2 LYS 39 far 0 91 0 - 9.7-15.9 HB ILE 76 - HE3 LYS 39 far 0 100 0 - 9.7-13.3 HD2 LYS 47 - HE2 LYS 39 far 0 58 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 1765 from cnoeabs.peaks (2.87, 2.88, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 HE2 LYS 66 + HE2 LYS 66 OK 70 70 - 100 HE3 LYS 66 + HE3 LYS 66 OK 49 49 - 100 HE3 LYS 82 + HE3 LYS 82 OK 48 48 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 1766 from cnoeabs.peaks (2.88, 2.88, 41.80 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 HE2 LYS 66 + HE2 LYS 66 OK 77 77 - 100 HE3 LYS 66 + HE3 LYS 66 OK 57 57 - 100 HE3 LYS 82 + HE3 LYS 82 OK 43 43 - 100 Peak 1768 from cnoeabs.peaks (7.63, 3.86, 58.99 ppm; 3.41 A): 3 out of 8 assignments used, quality = 1.00: * H LYS 40 + HA LYS 40 OK 100 100 100 100 2.8-2.8 2.9=100 H GLU 44 + HA GLU 43 OK 54 55 100 99 3.5-3.6 3.6=87, 6704/2.9=36...(14) H GLU 44 + HA LYS 40 OK 53 75 90 78 3.5-4.9 6700=26, 4.4/1780=18...(16) H LYS 40 - HA GLU 35 far 0 62 0 - 6.0-6.7 H GLU 48 - HA GLU 43 far 0 73 0 - 6.2-7.7 H LYS 40 - HA GLU 43 far 0 82 0 - 6.7-7.2 HE22 GLN 50 - HA GLU 43 far 0 79 0 - 8.4-15.8 H GLU 98 - HA ARG 91 far 0 53 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 1769 from cnoeabs.peaks (3.86, 3.86, 58.99 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 40 + HA LYS 40 OK 100 100 - 100 HA GLU 43 + HA GLU 43 OK 72 72 - 100 HA ARG 91 + HA ARG 91 OK 53 53 - 100 HA GLU 35 + HA GLU 35 OK 49 49 - 100 Peak 1770 from cnoeabs.peaks (1.65, 3.86, 58.99 ppm; 3.14 A): 4 out of 29 assignments used, quality = 1.00: * HB2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LYS 40 + HA LYS 40 OK 63 63 100 100 3.0-3.0 3.0=100 HB3 ARG 91 + HA ARG 91 OK 37 37 100 100 2.4-3.0 3.0=100 HD2 LYS 94 + HA ARG 91 OK 28 54 85 61 2.0-7.1 3.5/4186=14, 3.0/4220=11...(16) HG3 LYS 47 - HA GLU 43 poor 13 65 20 - 4.1-7.1 HD2 LYS 39 - HA LYS 40 far 10 99 10 - 3.2-7.7 HD2 LYS 39 - HA GLU 35 far 9 60 15 - 4.4-6.7 HD3 LYS 39 - HA LYS 40 far 0 100 0 - 4.7-6.8 HD3 LYS 47 - HA GLU 43 far 0 48 0 - 5.0-7.9 HD3 LYS 39 - HA GLU 35 far 0 61 0 - 5.3-7.8 HD2 LYS 47 - HA GLU 43 far 0 50 0 - 5.5-8.4 HB ILE 76 - HA GLU 43 far 0 82 0 - 5.7-7.2 HD3 LYS 47 - HA LYS 40 far 0 68 0 - 6.9-10.7 HD3 LYS 39 - HA GLU 43 far 0 81 0 - 7.3-9.1 HB2 LYS 40 - HA GLU 43 far 0 82 0 - 7.4-8.1 HB3 LYS 40 - HA GLU 43 far 0 45 0 - 7.5-8.2 HB2 LYS 40 - HA GLU 35 far 0 62 0 - 7.6-8.5 HD2 LYS 47 - HA LYS 40 far 0 70 0 - 7.6-10.9 HD2 LYS 39 - HA GLU 43 far 0 80 0 - 7.7-9.8 HB3 LYS 40 - HA GLU 35 far 0 32 0 - 7.7-8.6 HG3 LYS 47 - HA LYS 40 far 0 87 0 - 7.8-10.7 HD2 LYS 73 - HA GLU 35 far 0 50 0 - 8.1-10.6 HD3 LYS 73 - HA GLU 35 far 0 52 0 - 8.5-11.2 HG3 LYS 20 - HA ARG 91 far 0 47 0 - 8.6-12.8 HB ILE 76 - HA LYS 40 far 0 100 0 - 9.0-10.8 HB ILE 52 - HA GLU 43 far 0 65 0 - 9.0-11.2 HD2 LYS 20 - HA ARG 91 far 0 43 0 - 9.5-13.2 HB3 LEU 6 - HA GLU 35 far 0 61 0 - 9.6-10.7 HD2 LYS 73 - HA LYS 40 far 0 91 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 1771 from cnoeabs.peaks (1.68, 3.86, 58.99 ppm; 3.05 A): 4 out of 32 assignments used, quality = 1.00: * HB3 LYS 40 + HA LYS 40 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 91 + HA ARG 91 OK 67 67 100 100 2.4-3.0 3.0=100 HB2 LYS 40 + HA LYS 40 OK 63 63 100 100 2.4-2.6 3.0=100 HG LEU 70 + HA GLU 35 OK 26 56 70 67 4.0-5.1 2.1/9541=16, 2.1/9540=11...(22) HD3 LYS 90 - HA ARG 91 poor 13 63 20 - 3.4-6.3 HD3 LYS 66 - HA GLU 35 poor 11 53 20 - 4.0-6.7 HD2 LYS 39 - HA GLU 35 far 6 42 15 - 4.4-6.7 HD2 LYS 39 - HA LYS 40 far 4 79 5 - 3.2-7.7 HD3 LYS 47 - HA GLU 43 far 0 82 0 - 5.0-7.9 HB3 LEU 70 - HA GLU 35 far 0 38 0 - 5.1-6.5 HD2 LYS 47 - HA GLU 43 far 0 82 0 - 5.5-8.4 HB ILE 76 - HA GLU 43 far 0 42 0 - 5.7-7.2 HD3 LYS 47 - HA LYS 40 far 0 100 0 - 6.9-10.7 HB3 LEU 70 - HA LYS 40 far 0 73 0 - 7.0-8.3 HB2 LYS 40 - HA GLU 43 far 0 45 0 - 7.4-8.1 HB3 LYS 40 - HA GLU 43 far 0 82 0 - 7.5-8.2 HB2 LYS 40 - HA GLU 35 far 0 32 0 - 7.6-8.5 HD2 LYS 47 - HA LYS 40 far 0 100 0 - 7.6-10.9 HD2 LYS 39 - HA GLU 43 far 0 58 0 - 7.7-9.8 HB3 LEU 70 - HA GLU 43 far 0 53 0 - 7.7-9.2 HB3 LYS 40 - HA GLU 35 far 0 62 0 - 7.7-8.6 HD2 LYS 73 - HA GLU 35 far 0 55 0 - 8.1-10.6 HD3 LYS 73 - HA GLU 35 far 0 53 0 - 8.5-11.2 HG3 LYS 20 - HA ARG 91 far 0 65 0 - 8.6-12.8 HB ILE 76 - HA LYS 40 far 0 59 0 - 9.0-10.8 HB ILE 52 - HA GLU 43 far 0 77 0 - 9.0-11.2 HD2 LYS 24 - HA ARG 91 far 0 63 0 - 9.1-13.6 HD3 LYS 24 - HA ARG 91 far 0 63 0 - 9.2-14.0 HG LEU 70 - HA LYS 40 far 0 96 0 - 9.3-10.5 HD2 LYS 20 - HA ARG 91 far 0 66 0 - 9.5-13.2 HB3 LEU 6 - HA GLU 35 far 0 34 0 - 9.6-10.7 HD2 LYS 73 - HA LYS 40 far 0 96 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 1772 from cnoeabs.peaks (1.16, 3.86, 58.99 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 40 + HA LYS 40 OK 100 100 100 100 2.2-3.6 3.8=100 QG2 THR 34 + HA GLU 35 OK 26 54 50 97 5.5-5.7 6548/3.0=59, 8782/3.6=46...(11) HG2 LYS 40 - HA GLU 43 far 0 82 0 - 6.4-8.4 HB2 LEU 6 - HA GLU 35 far 0 49 0 - 9.1-10.1 QG2 THR 34 - HA LYS 40 far 0 95 0 - 9.2-10.4 HB2 LEU 57 - HA ARG 91 far 0 34 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 1773 from cnoeabs.peaks (1.36, 3.86, 58.99 ppm; 3.66 A): 4 out of 18 assignments used, quality = 1.00: * HG3 LYS 40 + HA LYS 40 OK 100 100 100 100 2.2-3.5 3.8=91, 1817/2.9=34...(30) HG2 LYS 39 + HA LYS 40 OK 76 97 80 98 3.2-6.6 1712/2.9=27, ~6621=23...(39) HG3 LYS 94 + HA ARG 91 OK 40 54 90 83 2.6-5.3 4220=23, 2.9/4186=22...(18) HG2 LYS 94 + HA ARG 91 OK 35 56 75 83 3.0-6.3 2.9/4186=22, 1.8/4220=20...(19) QB ALA 67 - HA GLU 35 poor 9 49 75 24 4.3-5.3 10336/8934=5, 2.9/7080=4...(11) HB2 LEU 70 - HA GLU 35 far 0 59 0 - 5.2-6.4 HG2 LYS 39 - HA GLU 35 far 0 56 0 - 5.2-7.8 HG2 LYS 39 - HA GLU 43 far 0 76 0 - 5.8-8.1 QB ALA 89 - HA ARG 91 far 0 56 0 - 6.4-6.6 HG3 LYS 40 - HA GLU 43 far 0 82 0 - 6.5-8.2 QB ALA 25 - HA ARG 91 far 0 56 0 - 7.1-8.4 HG12 ILE 8 - HA GLU 35 far 0 61 0 - 7.4-9.0 HB2 LEU 70 - HA LYS 40 far 0 99 0 - 7.8-9.3 HB2 LEU 70 - HA GLU 43 far 0 79 0 - 8.3-9.7 QB ALA 67 - HA LYS 40 far 0 90 0 - 8.5-9.9 HG LEU 14 - HA ARG 91 far 0 65 0 - 9.3-11.0 QB ALA 67 - HA GLU 43 far 0 67 0 - 9.4-10.6 HB3 ARG 30 - HA LYS 40 far 0 98 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 1774 from cnoeabs.peaks (1.46, 3.86, 58.99 ppm; 3.31 A): 7 out of 28 assignments used, quality = 1.00: HD3 LYS 40 + HA LYS 40 OK 94 100 100 94 3.8-4.1 5.2=25, 1823/3.8=22...(27) * HD2 LYS 40 + HA LYS 40 OK 93 100 100 93 3.6-4.2 5.2=25, 1823/3.8=22...(27) HG3 ARG 91 + HA ARG 91 OK 62 63 100 98 3.1-3.4 4.0=57, 7445/3.0=33...(26) HG3 LYS 39 + HA LYS 40 OK 58 88 70 95 2.8-6.5 1.8/1773=18, ~6621=17...(38) HB2 ARG 91 + HA ARG 91 OK 54 54 100 100 2.5-3.0 3.0=100 HG LEU 38 + HA GLU 35 OK 50 61 95 87 2.5-5.2 2.1/1659=22, 3.0/1635=16...(30) HB2 LEU 38 + HA GLU 35 OK 35 59 65 91 1.9-5.3 1627=23, 1.8/1635=21...(33) HG13 ILE 76 - HA GLU 43 poor 19 59 45 71 4.0-5.2 1.8/4045=17, 2.1/9668=14...(18) HG3 LYS 66 - HA GLU 35 poor 12 42 50 60 2.5-6.8 10434/3.0=9, 12158/3.0=6...(24) HG2 LYS 47 - HA GLU 43 poor 12 61 20 - 4.6-8.0 HG3 LYS 39 - HA GLU 35 poor 12 48 25 - 4.5-7.8 HG2 LYS 66 - HA GLU 35 far 7 44 15 - 2.7-7.6 HG3 LYS 39 - HA GLU 43 far 0 66 0 - 5.6-8.9 HD3 LYS 40 - HA GLU 43 far 0 82 0 - 7.3-9.5 HG LEU 38 - HA LYS 40 far 0 100 0 - 7.3-9.8 HB2 LEU 38 - HA LYS 40 far 0 99 0 - 7.4-7.9 HG13 ILE 52 - HA GLU 43 far 0 80 0 - 7.6-10.9 QB ALA 22 - HA ARG 91 far 0 46 0 - 8.0-9.6 HD2 LYS 40 - HA GLU 43 far 0 82 0 - 8.0-9.1 HG LEU 57 - HA ARG 91 far 0 35 0 - 8.0-8.6 HG2 LYS 47 - HA LYS 40 far 0 82 0 - 8.1-11.4 HG13 ILE 76 - HA LYS 40 far 0 81 0 - 8.6-10.0 HD3 LYS 40 - HA GLU 35 far 0 62 0 - 8.9-11.5 HG2 LYS 20 - HA ARG 91 far 0 66 0 - 9.1-12.2 HB2 LEU 38 - HA GLU 43 far 0 79 0 - 9.3-10.9 HG2 LYS 73 - HA GLU 35 far 0 43 0 - 9.3-11.7 HD2 LYS 40 - HA GLU 35 far 0 62 0 - 9.4-11.4 HG LEU 38 - HA GLU 43 far 0 81 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1775 from cnoeabs.peaks (1.47, 3.86, 58.99 ppm; 3.31 A): 7 out of 29 assignments used, quality = 1.00: * HD3 LYS 40 + HA LYS 40 OK 94 100 100 94 3.8-4.1 5.2=25, 1824/3.8=22...(27) HD2 LYS 40 + HA LYS 40 OK 93 100 100 93 3.6-4.2 5.2=25, 1824/3.8=22...(27) HG3 ARG 91 + HA ARG 91 OK 61 63 100 98 3.1-3.4 4.0=57, 7445/3.0=32...(26) HG3 LYS 39 + HA LYS 40 OK 58 87 70 95 2.8-6.5 1.8/1773=18, ~6621=17...(38) HB2 ARG 91 + HA ARG 91 OK 55 55 100 100 2.5-3.0 3.0=100 HG LEU 38 + HA GLU 35 OK 50 61 95 87 2.5-5.2 2.1/1659=22, 3.0/1635=16...(30) HB2 LEU 38 + HA GLU 35 OK 35 59 65 91 1.9-5.3 1627=23, 1.8/1635=21...(33) HG13 ILE 76 - HA GLU 43 poor 18 58 45 70 4.0-5.2 1.8/4045=17, 2.1/9668=14...(18) HG3 LYS 66 - HA GLU 35 poor 13 43 50 60 2.5-6.8 10434/3.0=9, 12158/3.0=6...(24) HG2 LYS 47 - HA GLU 43 poor 12 62 20 - 4.6-8.0 HG3 LYS 39 - HA GLU 35 poor 12 47 25 - 4.5-7.8 HG2 LYS 66 - HA GLU 35 far 7 45 15 - 2.7-7.6 HG3 LYS 39 - HA GLU 43 far 0 65 0 - 5.6-8.9 HD3 LYS 40 - HA GLU 43 far 0 82 0 - 7.3-9.5 HG LEU 38 - HA LYS 40 far 0 100 0 - 7.3-9.8 HB2 LEU 38 - HA LYS 40 far 0 99 0 - 7.4-7.9 HG13 ILE 52 - HA GLU 43 far 0 80 0 - 7.6-10.9 HG3 LYS 33 - HA GLU 35 far 0 30 0 - 7.9-8.7 QB ALA 22 - HA ARG 91 far 0 45 0 - 8.0-9.6 HD2 LYS 40 - HA GLU 43 far 0 82 0 - 8.0-9.1 HG LEU 57 - HA ARG 91 far 0 37 0 - 8.0-8.6 HG2 LYS 47 - HA LYS 40 far 0 84 0 - 8.1-11.4 HG13 ILE 76 - HA LYS 40 far 0 79 0 - 8.6-10.0 HD3 LYS 40 - HA GLU 35 far 0 62 0 - 8.9-11.5 HG2 LYS 20 - HA ARG 91 far 0 65 0 - 9.1-12.2 HB2 LEU 38 - HA GLU 43 far 0 79 0 - 9.3-10.9 HG2 LYS 73 - HA GLU 35 far 0 44 0 - 9.3-11.7 HD2 LYS 40 - HA GLU 35 far 0 62 0 - 9.4-11.4 HG LEU 38 - HA GLU 43 far 0 81 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 1778 from cnoeabs.peaks (7.82, 3.86, 58.99 ppm; 4.33 A): 1 out of 9 assignments used, quality = 1.00: * H TYR 41 + HA LYS 40 OK 100 100 100 100 3.5-3.6 3.6=100 H LYS 66 - HA GLU 35 far 0 50 0 - 6.4-7.9 H TYR 41 - HA GLU 43 far 0 82 0 - 6.7-7.1 H TYR 41 - HA GLU 35 far 0 62 0 - 7.3-8.3 HE ARG 30 - HA LYS 40 far 0 70 0 - 7.8-12.9 H LYS 73 - HA GLU 43 far 0 72 0 - 9.2-10.2 HE ARG 30 - HA GLU 43 far 0 50 0 - 9.5-15.2 H GLU 99 - HA ARG 91 far 0 46 0 - 9.6-11.1 H LYS 73 - HA GLU 35 far 0 53 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 1779 from cnoeabs.peaks (8.19, 3.86, 58.99 ppm; 3.43 A): 3 out of 9 assignments used, quality = 1.00: * H GLU 43 + HA LYS 40 OK 96 100 100 96 3.2-3.7 6682=50, 10610/3.0=32...(19) H GLU 43 + HA GLU 43 OK 82 82 100 100 2.7-2.8 2.9=100 H ASP 36 + HA GLU 35 OK 60 60 100 100 3.5-3.6 3.6=89, 6558/3.0=52...(21) H PHE 96 - HA ARG 91 far 0 57 0 - 6.5-7.2 H GLU 104 - HA ARG 91 far 0 53 0 - 7.0-17.8 H LYS 68 - HA GLU 35 far 0 60 0 - 7.1-7.8 H SER 97 - HA ARG 91 far 0 53 0 - 7.9-8.8 H ASP 36 - HA LYS 40 far 0 99 0 - 8.0-9.0 H GLU 43 - HA GLU 35 far 0 62 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1780 from cnoeabs.peaks (1.91, 3.86, 58.99 ppm; 3.12 A): 2 out of 18 assignments used, quality = 0.97: * HB2 GLU 43 + HA LYS 40 OK 83 100 100 83 2.5-4.6 1961=42, 1.8/1969=23...(13) HB2 GLU 43 + HA GLU 43 OK 82 82 100 100 2.4-3.0 3.0=100 HB2 LYS 94 - HA ARG 91 poor 15 60 25 - 2.8-5.2 HB3 GLU 104 - HA ARG 91 far 0 37 0 - 4.9-19.0 HG LEU 42 - HA LYS 40 far 0 99 0 - 4.9-6.6 HB VAL 32 - HA GLU 35 far 0 36 0 - 5.7-6.7 HG LEU 42 - HA GLU 43 far 0 79 0 - 5.7-6.5 HB3 LYS 47 - HA GLU 43 far 0 72 0 - 6.5-8.1 HG LEU 42 - HA GLU 35 far 0 59 0 - 7.1-8.6 HB2 GLU 17 - HA ARG 91 far 0 38 0 - 7.1-9.8 HB3 LYS 33 - HA GLU 35 far 0 59 0 - 7.7-8.1 HB ILE 8 - HA GLU 35 far 0 58 0 - 8.0-9.4 HB VAL 54 - HA GLU 43 far 0 69 0 - 8.2-10.3 HB2 LYS 33 - HA GLU 35 far 0 58 0 - 8.8-9.2 HG3 GLU 88 - HA ARG 91 far 0 35 0 - 9.0-9.5 HB3 LYS 68 - HA GLU 35 far 0 34 0 - 9.1-9.8 HB3 LYS 20 - HA ARG 91 far 0 47 0 - 9.6-12.0 HB3 LYS 47 - HA LYS 40 far 0 94 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 1781 from cnoeabs.peaks (2.06, 3.86, 58.99 ppm; 2.98 A): 4 out of 17 assignments used, quality = 0.99: HB3 GLU 43 + HA GLU 43 OK 82 82 100 100 2.5-3.0 3.0=97, 6694/2.9=45...(34) * HB3 GLU 43 + HA LYS 40 OK 80 100 100 80 2.4-4.1 1969=30, 1.8/1961=28...(14) HB3 GLU 35 + HA GLU 35 OK 55 55 100 100 2.2-3.0 3.0=97, 1541/3.0=31...(30) HB3 LEU 38 + HA GLU 35 OK 30 60 65 76 2.8-4.8 1635=19, 1.8/1627=16...(25) HB2 MET 74 - HA GLU 43 poor 15 82 55 33 3.6-5.5 4.2/9610=11, 2.9/9611=8...(6) QE MET 21 - HA ARG 91 poor 11 39 80 34 3.9-5.1 8539/3.0=12, 8541=8...(11) HG3 GLU 104 - HA ARG 91 far 2 41 5 - 4.3-19.0 HB2 MET 21 - HA ARG 91 far 0 62 0 - 5.4-7.2 HG12 ILE 93 - HA ARG 91 far 0 48 0 - 6.6-7.9 HB2 MET 74 - HA LYS 40 far 0 100 0 - 6.8-8.7 HB3 LEU 38 - HA LYS 40 far 0 99 0 - 7.3-8.4 HB3 GLU 48 - HA GLU 43 far 0 73 0 - 7.6-10.8 HB3 GLU 88 - HA ARG 91 far 0 63 0 - 8.2-8.4 HB2 GLU 98 - HA ARG 91 far 0 56 0 - 8.7-10.8 HB3 LEU 38 - HA GLU 43 far 0 80 0 - 8.8-11.5 HB3 GLU 62 - HA GLU 35 far 0 47 0 - 9.2-11.4 HB3 GLU 35 - HA LYS 40 far 0 96 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1782 from cnoeabs.peaks (3.71, 1.65, 31.76 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.99: * HA GLU 37 + HB2 LYS 40 OK 99 100 100 99 2.7-3.6 1585=61, 6615/1783=54...(22) HA LEU 42 - HB2 LYS 40 far 0 100 0 - 8.1-8.4 Violated in 0 structures by 0.00 A. Peak 1783 from cnoeabs.peaks (7.63, 1.65, 31.76 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 40 + HB2 LYS 40 OK 99 100 100 99 2.3-2.6 6625=75, 6630/1.8=44...(30) H GLU 44 - HB2 LYS 40 far 0 75 0 - 5.7-7.1 Violated in 0 structures by 0.00 A. Peak 1784 from cnoeabs.peaks (3.86, 1.65, 31.76 ppm; 3.42 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.4-2.6 3.0=100 HA LEU 38 - HB2 LYS 40 far 0 99 0 - 6.0-6.6 HA GLU 43 - HB2 LYS 40 far 0 94 0 - 7.4-8.1 HA GLU 35 - HB2 LYS 40 far 0 90 0 - 7.6-8.5 HA ALA 67 - HB2 LYS 40 far 0 99 0 - 9.4-10.9 HA ALA 71 - HB2 LYS 40 far 0 93 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 1785 from cnoeabs.peaks (1.65, 1.65, 31.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 Peak 1786 from cnoeabs.peaks (1.68, 1.65, 31.76 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: HB2 LYS 40 + HB2 LYS 40 OK 63 63 - 100 Reference assignment not found: HB3 LYS 40 - HB2 LYS 40 Peak 1787 from cnoeabs.peaks (1.16, 1.65, 31.76 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.7-3.0 2.9=100 QG2 THR 34 - HB2 LYS 40 far 0 95 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 1788 from cnoeabs.peaks (1.36, 1.65, 31.76 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 39 + HB2 LYS 40 OK 62 97 75 85 3.1-7.3 1712/1783=29...(24) HB2 LEU 70 - HB2 LYS 40 far 0 99 0 - 8.4-9.5 QB ALA 67 - HB2 LYS 40 far 0 90 0 - 8.5-9.8 HB3 ARG 30 - HB2 LYS 40 far 0 98 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 1789 from cnoeabs.peaks (1.46, 1.65, 31.76 ppm; 3.90 A): 3 out of 6 assignments used, quality = 1.00: HD3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.0-4.1 3.5=100 * HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.9-3.4 3.5=100 HG3 LYS 39 + HB2 LYS 40 OK 59 88 80 83 3.4-6.9 1.8/1788=29...(19) HG LEU 38 - HB2 LYS 40 far 0 100 0 - 6.4-9.2 HB2 LEU 38 - HB2 LYS 40 far 0 99 0 - 6.5-7.7 HG3 LYS 66 - HB2 LYS 40 far 0 79 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1790 from cnoeabs.peaks (1.47, 1.65, 31.76 ppm; 3.90 A): 3 out of 7 assignments used, quality = 1.00: * HD3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.0-4.1 3.5=100 HD2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 2.9-3.4 3.5=100 HG3 LYS 39 + HB2 LYS 40 OK 58 87 80 83 3.4-6.9 1.8/1788=29...(19) HG LEU 38 - HB2 LYS 40 far 0 100 0 - 6.4-9.2 HB2 LEU 38 - HB2 LYS 40 far 0 99 0 - 6.5-7.7 HG3 LYS 33 - HB2 LYS 40 far 0 59 0 - 8.5-10.0 HG3 LYS 66 - HB2 LYS 40 far 0 81 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 1791 from cnoeabs.peaks (2.77, 1.65, 31.76 ppm; 5.88 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.8-4.5 4.8=100 HE3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.7-5.2 4.8=100 Violated in 0 structures by 0.00 A. Peak 1792 from cnoeabs.peaks (2.77, 1.65, 31.76 ppm; 5.88 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.7-5.2 4.8=100 HE2 LYS 40 + HB2 LYS 40 OK 100 100 100 100 3.8-4.5 4.8=100 Violated in 0 structures by 0.00 A. Peak 1793 from cnoeabs.peaks (7.82, 1.65, 31.76 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + HB2 LYS 40 OK 100 100 100 100 3.5-3.9 4.3=73, 6644/1783=65...(21) HE ARG 30 - HB2 LYS 40 far 0 70 0 - 8.0-13.0 Violated in 0 structures by 0.00 A. Peak 1794 from cnoeabs.peaks (3.71, 1.68, 31.76 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.99: * HA GLU 37 + HB3 LYS 40 OK 99 100 100 99 2.3-3.2 6615/1795=51...(24) HA LEU 42 - HB3 LYS 40 far 0 100 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 1795 from cnoeabs.peaks (7.63, 1.68, 31.76 ppm; 3.31 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 40 + HB3 LYS 40 OK 99 100 100 99 2.5-2.8 6625/1.8=62, 4.1=54...(29) H GLU 44 - HB3 LYS 40 far 0 75 0 - 5.2-6.6 Violated in 0 structures by 0.00 A. Peak 1796 from cnoeabs.peaks (3.86, 1.68, 31.76 ppm; 3.44 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.0-3.0 3.0=100 HA LEU 38 - HB3 LYS 40 far 5 99 5 - 4.9-5.8 HA GLU 43 - HB3 LYS 40 far 0 94 0 - 7.5-8.2 HA GLU 35 - HB3 LYS 40 far 0 90 0 - 7.7-8.6 HA ALA 67 - HB3 LYS 40 far 0 99 0 - 9.4-10.7 HA ALA 71 - HB3 LYS 40 far 0 93 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 1797 from cnoeabs.peaks (1.65, 1.68, 31.76 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: HB3 LYS 40 + HB3 LYS 40 OK 63 63 - 100 Reference assignment not found: HB2 LYS 40 - HB3 LYS 40 Peak 1798 from cnoeabs.peaks (1.68, 1.68, 31.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 Peak 1799 from cnoeabs.peaks (1.16, 1.68, 31.76 ppm; 3.69 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.2-2.9 2.9=100 QG2 THR 34 - HB3 LYS 40 far 0 95 0 - 7.1-8.4 HB2 LEU 6 - HB3 LYS 40 far 0 90 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 1800 from cnoeabs.peaks (1.36, 1.68, 31.76 ppm; 3.81 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 40 OK 57 97 70 84 4.0-8.0 1712/1795=29...(24) HB3 ARG 30 - HB3 LYS 40 far 0 98 0 - 7.8-9.3 QB ALA 67 - HB3 LYS 40 far 0 90 0 - 8.2-9.5 HB2 LEU 70 - HB3 LYS 40 far 0 99 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 1801 from cnoeabs.peaks (1.46, 1.68, 31.76 ppm; 3.94 A): 3 out of 5 assignments used, quality = 1.00: * HD2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.0-4.0 3.5=100 HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.8-3.3 3.5=100 HG3 LYS 39 + HB3 LYS 40 OK 49 88 65 85 4.6-7.4 1.8/1800=28...(23) HG LEU 38 - HB3 LYS 40 far 0 100 0 - 6.3-8.9 HB2 LEU 38 - HB3 LYS 40 far 0 99 0 - 6.5-7.1 Violated in 0 structures by 0.00 A. Peak 1802 from cnoeabs.peaks (1.47, 1.68, 31.76 ppm; 3.94 A): 3 out of 6 assignments used, quality = 1.00: HD2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.0-4.0 3.5=100 * HD3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 2.8-3.3 3.5=100 HG3 LYS 39 + HB3 LYS 40 OK 48 87 65 85 4.6-7.4 1.8/1800=28...(23) HG LEU 38 - HB3 LYS 40 far 0 100 0 - 6.3-8.9 HB2 LEU 38 - HB3 LYS 40 far 0 99 0 - 6.5-7.1 HG3 LYS 33 - HB3 LYS 40 far 0 59 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 1803 from cnoeabs.peaks (2.77, 1.68, 31.76 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.4-4.3 4.8=100 * HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.6-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 1804 from cnoeabs.peaks (2.77, 1.68, 31.76 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.4-4.3 4.8=100 HE2 LYS 40 + HB3 LYS 40 OK 100 100 100 100 3.6-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 1805 from cnoeabs.peaks (7.82, 1.68, 31.76 ppm; 3.81 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + HB3 LYS 40 OK 100 100 100 100 2.2-2.8 4.3=67, 6644/1795=61...(24) HE ARG 30 - HB3 LYS 40 far 0 70 0 - 6.3-11.3 Violated in 0 structures by 0.00 A. Peak 1806 from cnoeabs.peaks (7.63, 1.16, 24.65 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 40 + HG2 LYS 40 OK 100 100 100 100 4.3-4.6 6631=100, 1783/2.9=83...(28) H GLU 44 + HG2 LYS 40 OK 55 75 95 77 3.9-6.0 1817/1.8=23, 6700/3.8=21...(13) Violated in 4 structures by 0.01 A. Peak 1807 from cnoeabs.peaks (3.86, 1.16, 24.65 ppm; 3.97 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-3.6 3.8=100 HA GLU 43 - HG2 LYS 40 far 0 94 0 - 6.4-8.4 HA LEU 38 - HG2 LYS 40 far 0 99 0 - 6.6-8.4 HA ALA 89 - HG3 LYS 82 far 0 26 0 - 8.9-10.2 HB2 SER 85 - HG3 LYS 82 far 0 24 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 1808 from cnoeabs.peaks (1.65, 1.16, 24.65 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.7-3.0 2.9=100 HB3 LYS 40 + HG2 LYS 40 OK 63 63 100 100 2.2-2.9 2.9=100 HD2 LYS 39 - HG2 LYS 40 far 5 99 5 - 4.5-10.2 HD3 LYS 39 - HG2 LYS 40 far 0 100 0 - 6.2-9.6 HD3 LYS 47 - HG2 LYS 40 far 0 68 0 - 7.0-11.0 HD2 LYS 47 - HG2 LYS 40 far 0 70 0 - 7.7-11.5 HG3 LYS 47 - HG2 LYS 40 far 0 87 0 - 8.4-11.6 HG2 LYS 68 - HG3 LYS 82 far 0 49 0 - 9.4-13.0 HD3 LYS 68 - HG3 LYS 82 far 0 49 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 1809 from cnoeabs.peaks (1.68, 1.16, 24.65 ppm; 3.42 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-2.9 2.9=100 HB2 LYS 40 + HG2 LYS 40 OK 63 63 100 100 2.7-3.0 2.9=100 HD2 LYS 39 - HG2 LYS 40 far 4 79 5 - 4.5-10.2 HD3 LYS 47 - HG2 LYS 40 far 0 100 0 - 7.0-11.0 HD2 LYS 47 - HG2 LYS 40 far 0 100 0 - 7.7-11.5 HB3 LEU 70 - HG2 LYS 40 far 0 73 0 - 9.1-10.9 HD3 LYS 68 - HG3 LYS 82 far 0 30 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 1810 from cnoeabs.peaks (1.16, 1.16, 24.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 HG3 LYS 82 + HG3 LYS 82 OK 41 41 - 100 Peak 1811 from cnoeabs.peaks (1.36, 1.16, 24.65 ppm; 2.71 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 82 + HG3 LYS 82 OK 41 43 100 95 2.9-3.0 2.9=82, 3655/2.9=18...(11) HG2 LYS 39 - HG2 LYS 40 far 0 97 0 - 5.1-9.5 QB ALA 89 - HG3 LYS 82 far 0 41 0 - 7.6-9.0 QB ALA 67 - HG3 LYS 82 far 0 39 0 - 8.1-9.7 HB3 ARG 30 - HG2 LYS 40 far 0 98 0 - 8.4-11.2 HG12 ILE 8 - HG3 LYS 82 far 0 49 0 - 8.4-10.5 HG3 LYS 68 - HG3 LYS 82 far 0 47 0 - 9.8-13.3 QB ALA 67 - HG2 LYS 40 far 0 90 0 - 10.0-11.3 HG LEU 14 - HG3 LYS 82 far 0 47 0 - 10.0-11.6 HB2 LEU 70 - HG2 LYS 40 far 0 99 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 1812 from cnoeabs.peaks (1.46, 1.16, 24.65 ppm; 3.27 A): 4 out of 11 assignments used, quality = 1.00: * HD2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HD3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 82 + HG3 LYS 82 OK 49 49 100 100 2.3-3.0 2.9=100 HB3 LEU 64 + HG3 LYS 82 OK 22 35 65 94 4.1-5.3 3665/2.9=18, ~10252=16...(31) HG3 LYS 39 - HG2 LYS 40 far 0 88 0 - 4.8-9.2 HG LEU 64 - HG3 LYS 82 far 0 43 0 - 6.6-7.3 HG LEU 38 - HG2 LYS 40 far 0 100 0 - 8.5-11.4 HB2 LEU 38 - HG2 LYS 40 far 0 99 0 - 8.6-9.4 HG2 LYS 47 - HG2 LYS 40 far 0 82 0 - 8.7-11.3 HG LEU 57 - HG3 LYS 82 far 0 25 0 - 8.8-10.3 HG2 LYS 66 - HG3 LYS 82 far 0 34 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 1813 from cnoeabs.peaks (1.47, 1.16, 24.65 ppm; 3.27 A): 4 out of 12 assignments used, quality = 1.00: * HD3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HD2 LYS 82 + HG3 LYS 82 OK 48 48 100 100 2.3-3.0 2.9=100 HB3 LEU 64 + HG3 LYS 82 OK 22 36 65 94 4.1-5.3 3665/2.9=18, ~10252=16...(31) HG3 LYS 39 - HG2 LYS 40 far 0 87 0 - 4.8-9.2 HG LEU 64 - HG3 LYS 82 far 0 44 0 - 6.6-7.3 HG LEU 38 - HG2 LYS 40 far 0 100 0 - 8.5-11.4 HB2 LEU 38 - HG2 LYS 40 far 0 99 0 - 8.6-9.4 HG2 LYS 47 - HG2 LYS 40 far 0 84 0 - 8.7-11.3 HG LEU 57 - HG3 LYS 82 far 0 26 0 - 8.8-10.3 HG3 LYS 33 - HG2 LYS 40 far 0 59 0 - 8.8-11.8 HG2 LYS 66 - HG3 LYS 82 far 0 35 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 1814 from cnoeabs.peaks (2.77, 1.16, 24.65 ppm; 4.16 A): 3 out of 4 assignments used, quality = 1.00: HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.1-4.0 4.0=100 * HE2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.6-4.0 4.0=100 HE2 LYS 82 + HG3 LYS 82 OK 32 32 100 100 2.1-3.8 3.9=100 HB3 ASP 61 - HG3 LYS 82 far 4 26 15 - 5.4-7.2 Violated in 0 structures by 0.00 A. Peak 1815 from cnoeabs.peaks (2.77, 1.16, 24.65 ppm; 4.16 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.1-4.0 4.0=100 HE2 LYS 40 + HG2 LYS 40 OK 100 100 100 100 2.6-4.0 4.0=100 HE2 LYS 82 + HG3 LYS 82 OK 31 31 100 100 2.1-3.8 3.9=100 HB3 ASP 61 - HG3 LYS 82 far 4 25 15 - 5.4-7.2 Violated in 0 structures by 0.00 A. Peak 1816 from cnoeabs.peaks (7.82, 1.16, 24.65 ppm; 4.92 A): 1 out of 4 assignments used, quality = 1.00: * H TYR 41 + HG2 LYS 40 OK 100 100 100 100 3.5-4.6 6648=100, 1805/2.9=85...(21) HE ARG 30 - HG2 LYS 40 far 10 70 15 - 5.9-12.0 H LYS 66 - HG3 LYS 82 far 0 40 0 - 9.0-10.4 H SER 9 - HG3 LYS 82 far 0 46 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1817 from cnoeabs.peaks (7.63, 1.36, 24.65 ppm; 4.18 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 40 + HG3 LYS 40 OK 100 100 100 100 4.3-4.6 1783/2.9=77, 1795/2.9=77...(21) H GLU 44 + HG3 LYS 40 OK 40 75 70 75 4.6-6.7 1806/1.8=25, 6700/3.8=19...(14) H GLU 98 - HG2 LYS 94 far 10 65 15 - 4.4-6.9 H GLU 98 - HG3 LYS 94 far 3 61 5 - 5.7-7.3 Violated in 10 structures by 0.12 A. Peak 1818 from cnoeabs.peaks (3.86, 1.36, 24.65 ppm; 3.53 A): 5 out of 11 assignments used, quality = 1.00: * HA LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.2-3.5 3.8=81, 2.9/1817=31...(29) HA LYS 94 + HG2 LYS 94 OK 81 81 100 100 2.7-4.2 3.7=84, 4175/1.8=70...(29) HA LYS 94 + HG3 LYS 94 OK 76 76 100 100 2.0-3.6 3.7=84, 3.0/7516=37...(25) HA ARG 91 + HG3 LYS 94 OK 42 61 90 76 2.6-5.3 4186/2.9=21...(17) HA ARG 91 + HG2 LYS 94 OK 37 65 75 76 3.0-6.3 4186/2.9=21, 7512/4.9=14...(18) HA ALA 22 - HG3 LYS 94 far 0 40 0 - 6.3-9.4 HA GLU 43 - HG3 LYS 40 far 0 94 0 - 6.5-8.2 HA LEU 38 - HG3 LYS 40 far 0 99 0 - 7.2-8.0 HA ALA 89 - HG3 LYS 94 far 0 43 0 - 7.5-11.1 HA ALA 22 - HG2 LYS 94 far 0 43 0 - 8.1-9.4 HA ALA 89 - HG2 LYS 94 far 0 46 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 1819 from cnoeabs.peaks (1.65, 1.36, 24.65 ppm; 3.45 A): 4 out of 12 assignments used, quality = 1.00: * HB2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.2-2.9 2.9=100 HD2 LYS 94 + HG2 LYS 94 OK 67 67 100 100 2.3-3.0 3.0=100 HB3 LYS 40 + HG3 LYS 40 OK 63 63 100 100 2.2-3.0 2.9=100 HD2 LYS 94 + HG3 LYS 94 OK 62 62 100 100 2.2-3.0 3.0=100 HB3 ARG 91 - HG2 LYS 94 poor 16 46 35 - 4.5-7.6 HB3 ARG 91 - HG3 LYS 94 poor 14 43 65 51 4.5-7.2 ~4184=9, 3.0/1773=8...(17) HD2 LYS 39 - HG3 LYS 40 far 0 99 0 - 5.2-9.7 HD3 LYS 39 - HG3 LYS 40 far 0 100 0 - 6.8-8.9 HD3 LYS 47 - HG3 LYS 40 far 0 68 0 - 7.1-11.1 HD2 LYS 47 - HG3 LYS 40 far 0 70 0 - 7.2-11.5 HG3 LYS 47 - HG3 LYS 40 far 0 87 0 - 8.4-11.5 HG3 LYS 20 - HG3 LYS 94 far 0 55 0 - 9.4-13.6 Violated in 0 structures by 0.00 A. Peak 1820 from cnoeabs.peaks (1.68, 1.36, 24.65 ppm; 3.59 A): 4 out of 15 assignments used, quality = 1.00: * HB3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 40 + HG3 LYS 40 OK 63 63 100 100 2.2-2.9 2.9=100 HB3 ARG 91 + HG3 LYS 94 OK 28 76 65 57 4.5-7.2 ~4184=10, 3.0/1773=8...(20) HB3 ARG 91 + HG2 LYS 94 OK 26 81 55 58 4.5-7.6 ~4184=10, ~4220=9...(19) HD2 LYS 39 - HG3 LYS 40 far 0 79 0 - 5.2-9.7 HD2 LYS 24 - HG3 LYS 94 far 0 72 0 - 5.3-12.2 HD3 LYS 24 - HG3 LYS 94 far 0 71 0 - 6.3-12.8 HD3 LYS 90 - HG3 LYS 94 far 0 71 0 - 6.4-10.1 HD2 LYS 24 - HG2 LYS 94 far 0 77 0 - 6.5-12.0 HD3 LYS 90 - HG2 LYS 94 far 0 76 0 - 7.0-11.5 HD3 LYS 47 - HG3 LYS 40 far 0 100 0 - 7.1-11.1 HD3 LYS 24 - HG2 LYS 94 far 0 76 0 - 7.1-12.8 HD2 LYS 47 - HG3 LYS 40 far 0 100 0 - 7.2-11.5 HG3 LYS 20 - HG3 LYS 94 far 0 74 0 - 9.4-13.6 HB3 LEU 70 - HG3 LYS 40 far 0 73 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 1821 from cnoeabs.peaks (1.16, 1.36, 24.65 ppm; 2.75 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 QG2 THR 34 - HG3 LYS 40 far 0 95 0 - 8.5-10.6 Violated in 0 structures by 0.00 A. Peak 1822 from cnoeabs.peaks (1.36, 1.36, 24.65 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 HG2 LYS 94 + HG2 LYS 94 OK 69 69 - 100 HG3 LYS 94 + HG3 LYS 94 OK 62 62 - 100 Peak 1823 from cnoeabs.peaks (1.46, 1.36, 24.65 ppm; 2.93 A): 2 out of 16 assignments used, quality = 1.00: HD3 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.7-2.9 3.0=97, 1.8/1844=23...(13) * HD2 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.2-2.9 3.0=97, 1.8/1844=23...(13) HB2 ARG 91 - HG3 LYS 94 far 0 62 0 - 4.7-8.1 HG3 LYS 39 - HG3 LYS 40 far 0 88 0 - 4.8-8.7 HB2 ARG 91 - HG2 LYS 94 far 0 67 0 - 5.1-8.8 HG3 ARG 91 - HG3 LYS 94 far 0 72 0 - 5.8-8.3 HG3 ARG 91 - HG2 LYS 94 far 0 77 0 - 6.2-9.4 QB ALA 22 - HG3 LYS 94 far 0 53 0 - 7.0-9.5 QB ALA 22 - HG2 LYS 94 far 0 57 0 - 8.3-9.6 HG LEU 57 - HG3 LYS 94 far 0 41 0 - 8.3-12.0 HG2 LYS 47 - HG3 LYS 40 far 0 82 0 - 8.4-12.8 HB2 LEU 27 - HG3 LYS 94 far 0 75 0 - 8.6-11.5 HG LEU 38 - HG3 LYS 40 far 0 100 0 - 8.7-11.1 HB2 LEU 38 - HG3 LYS 40 far 0 99 0 - 8.9-9.6 HG2 LYS 20 - HG3 LYS 94 far 0 75 0 - 9.6-13.5 HB2 LEU 27 - HG2 LYS 94 far 0 79 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1824 from cnoeabs.peaks (1.47, 1.36, 24.65 ppm; 2.93 A): 2 out of 17 assignments used, quality = 1.00: * HD3 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.7-2.9 3.0=97, 1.8/1844=23...(13) HD2 LYS 40 + HG3 LYS 40 OK 99 100 100 99 2.2-2.9 3.0=97, 1.8/1844=23...(13) HB2 ARG 91 - HG3 LYS 94 far 0 64 0 - 4.7-8.1 HG3 LYS 39 - HG3 LYS 40 far 0 87 0 - 4.8-8.7 HB2 ARG 91 - HG2 LYS 94 far 0 68 0 - 5.1-8.8 HG3 ARG 91 - HG3 LYS 94 far 0 71 0 - 5.8-8.3 HG3 ARG 91 - HG2 LYS 94 far 0 76 0 - 6.2-9.4 QB ALA 22 - HG3 LYS 94 far 0 52 0 - 7.0-9.5 QB ALA 22 - HG2 LYS 94 far 0 55 0 - 8.3-9.6 HG LEU 57 - HG3 LYS 94 far 0 43 0 - 8.3-12.0 HG2 LYS 47 - HG3 LYS 40 far 0 84 0 - 8.4-12.8 HB2 LEU 27 - HG3 LYS 94 far 0 74 0 - 8.6-11.5 HG LEU 38 - HG3 LYS 40 far 0 100 0 - 8.7-11.1 HB2 LEU 38 - HG3 LYS 40 far 0 99 0 - 8.9-9.6 HG3 LYS 33 - HG3 LYS 40 far 0 59 0 - 9.2-11.9 HG2 LYS 20 - HG3 LYS 94 far 0 74 0 - 9.6-13.5 HB2 LEU 27 - HG2 LYS 94 far 0 79 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 1825 from cnoeabs.peaks (2.77, 1.36, 24.65 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.2-4.1 4.0=100 HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.2-3.7 4.0=100 HB2 ASN 26 - HG3 LYS 94 far 0 49 0 - 9.0-12.9 HB2 ASN 26 - HG2 LYS 94 far 0 52 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 1826 from cnoeabs.peaks (2.77, 1.36, 24.65 ppm; 4.32 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.2-3.7 4.0=100 HE2 LYS 40 + HG3 LYS 40 OK 100 100 100 100 2.2-4.1 4.0=100 HB2 ASN 26 - HG3 LYS 94 far 0 47 0 - 9.0-12.9 HB2 ASN 26 - HG2 LYS 94 far 0 51 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 1827 from cnoeabs.peaks (7.82, 1.36, 24.65 ppm; 5.53 A): 1 out of 6 assignments used, quality = 1.00: * H TYR 41 + HG3 LYS 40 OK 100 100 100 100 3.9-4.9 6648/1.8=96, 1805/2.9=95...(18) H GLU 99 - HG2 LYS 94 far 6 57 10 - 6.4-8.4 HE ARG 30 - HG3 LYS 40 far 0 70 0 - 7.1-12.5 H GLU 99 - HG3 LYS 94 far 0 53 0 - 7.2-9.0 H ASN 26 - HG3 LYS 94 far 0 68 0 - 8.0-11.6 H ASN 26 - HG2 LYS 94 far 0 72 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 1828 from cnoeabs.peaks (7.63, 1.46, 28.90 ppm; 5.58 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 40 + HD2 LYS 40 OK 100 100 100 100 4.5-5.5 1783/3.5=95, 1795/3.5=95...(24) H LYS 40 + HD3 LYS 40 OK 100 100 100 100 4.2-5.4 1783/3.5=95, 1795/3.5=95...(25) H GLU 44 + HD2 LYS 40 OK 28 75 50 75 5.2-7.8 1806/3.0=31, 1817/3.0=26...(8) H GLU 44 - HD3 LYS 40 far 11 75 15 - 4.2-8.2 Violated in 0 structures by 0.00 A. Peak 1829 from cnoeabs.peaks (3.86, 1.46, 28.90 ppm; 4.44 A): 3 out of 13 assignments used, quality = 1.00: * HA LYS 40 + HD2 LYS 40 OK 100 100 100 100 3.6-4.2 5.2=61, 3.8/1823=38...(29) HA LYS 40 + HD3 LYS 40 OK 100 100 100 100 3.8-4.1 5.2=61, 3.8/1823=38...(27) HA ARG 91 + HB2 ARG 91 OK 32 32 100 100 2.5-3.0 3.0=100 HA ALA 89 - HB2 ARG 91 poor 14 22 95 66 5.5-7.2 7441/3.9=26, 3904/4.3=25...(9) HA LEU 38 - HD2 LYS 40 far 0 99 0 - 6.2-9.6 HB2 SER 85 - HB2 ARG 91 far 0 20 0 - 7.0-9.3 HA LEU 38 - HD3 LYS 40 far 0 99 0 - 7.2-8.3 HA GLU 43 - HD3 LYS 40 far 0 94 0 - 7.3-9.5 HA LYS 94 - HB2 ARG 91 far 0 42 0 - 7.8-8.8 HA GLU 43 - HD2 LYS 40 far 0 94 0 - 8.0-9.1 HA GLU 35 - HD3 LYS 40 far 0 89 0 - 8.9-11.5 HA GLU 35 - HD2 LYS 40 far 0 90 0 - 9.4-11.4 HB2 SER 85 - HD2 LYS 82 far 0 60 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 1830 from cnoeabs.peaks (1.65, 1.46, 28.90 ppm; 4.36 A): 5 out of 19 assignments used, quality = 1.00: HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.0-4.1 3.5=100 * HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.9-3.4 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.0-4.0 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.8-3.3 3.5=100 HB3 ARG 91 + HB2 ARG 91 OK 22 22 100 100 1.8-1.8 1.8=100 HD2 LYS 94 - HB2 ARG 91 poor 12 33 35 - 5.0-9.8 HD2 LYS 39 - HD3 LYS 40 far 10 99 10 - 3.8-9.2 HD3 LYS 39 - HD3 LYS 40 far 5 100 5 - 5.3-9.5 HD2 LYS 39 - HD2 LYS 40 far 5 99 5 - 4.4-10.3 HD3 LYS 39 - HD2 LYS 40 far 0 100 0 - 6.1-9.0 HD3 LYS 68 - HD2 LYS 82 far 0 99 0 - 7.2-11.4 HG2 LYS 68 - HD2 LYS 82 far 0 99 0 - 8.0-12.9 HD3 LYS 47 - HD2 LYS 40 far 0 68 0 - 8.1-11.9 HD2 LYS 47 - HD2 LYS 40 far 0 70 0 - 8.7-11.7 HD3 LYS 47 - HD3 LYS 40 far 0 67 0 - 8.8-13.2 HD2 LYS 68 - HD2 LYS 82 far 0 99 0 - 9.0-12.0 HD2 LYS 47 - HD3 LYS 40 far 0 69 0 - 9.5-13.1 HG3 LYS 47 - HD3 LYS 40 far 0 87 0 - 9.5-13.3 HG3 LYS 47 - HD2 LYS 40 far 0 87 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 1831 from cnoeabs.peaks (1.68, 1.46, 28.90 ppm; 4.39 A): 6 out of 17 assignments used, quality = 1.00: * HB3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.0-4.0 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.8-3.3 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.9-3.4 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.0-4.1 3.5=100 HB3 ARG 91 + HB2 ARG 91 OK 42 42 100 100 1.8-1.8 1.8=100 HD3 LYS 90 + HB2 ARG 91 OK 28 39 80 89 4.0-7.5 7438/3.9=33, 4039/2.8=29...(26) HD2 LYS 39 - HD3 LYS 40 far 8 79 10 - 3.8-9.2 HD2 LYS 39 - HD2 LYS 40 far 4 79 5 - 4.4-10.3 HD3 LYS 68 - HD2 LYS 82 far 0 72 0 - 7.2-11.4 HD3 LYS 47 - HD2 LYS 40 far 0 100 0 - 8.1-11.9 HD2 LYS 47 - HD2 LYS 40 far 0 100 0 - 8.7-11.7 HD3 LYS 47 - HD3 LYS 40 far 0 100 0 - 8.8-13.2 HD2 LYS 68 - HD2 LYS 82 far 0 74 0 - 9.0-12.0 HB3 LEU 70 - HD3 LYS 40 far 0 73 0 - 9.3-11.2 HG2 PRO 86 - HB2 ARG 91 far 0 40 0 - 9.4-10.5 HD2 LYS 47 - HD3 LYS 40 far 0 100 0 - 9.5-13.1 HB3 LEU 70 - HD2 LYS 40 far 0 73 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1832 from cnoeabs.peaks (1.16, 1.46, 28.90 ppm; 3.26 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 LYS 82 + HD2 LYS 82 OK 91 91 100 100 2.3-3.0 2.9=100 QG2 THR 34 - HD3 LYS 40 far 0 95 0 - 7.3-10.4 HB2 LEU 57 - HB2 ARG 91 far 0 20 0 - 8.5-10.2 QG2 THR 34 - HD2 LYS 40 far 0 95 0 - 8.7-10.4 HB2 LEU 57 - HD2 LYS 82 far 0 60 0 - 8.7-9.9 HB2 LEU 6 - HD2 LYS 40 far 0 90 0 - 9.3-14.3 Violated in 0 structures by 0.00 A. Peak 1833 from cnoeabs.peaks (1.36, 1.46, 28.90 ppm; 2.98 A): 3 out of 17 assignments used, quality = 1.00: * HG3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 LYS 82 + HD2 LYS 82 OK 93 95 100 98 2.3-3.7 3.5=59, 3655/1.8=29...(25) HG2 LYS 39 - HD3 LYS 40 far 0 97 0 - 4.7-9.2 HG3 LYS 94 - HB2 ARG 91 far 0 33 0 - 4.7-8.1 HG2 LYS 94 - HB2 ARG 91 far 0 34 0 - 5.1-8.8 HG2 LYS 39 - HD2 LYS 40 far 0 97 0 - 5.4-9.8 QB ALA 89 - HB2 ARG 91 far 0 34 0 - 5.7-7.1 HB3 ARG 30 - HD2 LYS 40 far 0 98 0 - 7.2-12.9 QB ALA 67 - HD2 LYS 82 far 0 88 0 - 7.5-10.3 HG3 LYS 68 - HD2 LYS 82 far 0 98 0 - 7.9-13.2 HB3 ARG 30 - HD3 LYS 40 far 0 98 0 - 8.3-12.1 HG LEU 14 - HB2 ARG 91 far 0 40 0 - 8.6-10.3 HG12 ILE 8 - HD2 LYS 82 far 0 99 0 - 8.9-12.6 QB ALA 89 - HD2 LYS 82 far 0 91 0 - 9.1-10.9 QB ALA 67 - HD2 LYS 40 far 0 90 0 - 9.2-12.3 QB ALA 25 - HB2 ARG 91 far 0 34 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 1834 from cnoeabs.peaks (1.46, 1.46, 28.90 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 82 + HD2 LYS 82 OK 99 99 - 100 HB2 ARG 91 + HB2 ARG 91 OK 33 33 - 100 Peak 1835 from cnoeabs.peaks (1.47, 1.46, 28.90 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 82 + HD2 LYS 82 OK 99 99 - 100 HB2 ARG 91 + HB2 ARG 91 OK 34 34 - 100 Reference assignment not found: HD3 LYS 40 - HD2 LYS 40 Peak 1836 from cnoeabs.peaks (2.77, 1.46, 28.90 ppm; 3.39 A): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 40 + HD2 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 HE2 LYS 40 + HD3 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 2.4-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 76 76 100 100 2.2-3.0 3.0=100 HB3 ASP 61 + HD2 LYS 82 OK 37 64 75 78 2.8-6.6 3.0/9766=31, ~9767=20...(14) Violated in 0 structures by 0.00 A. Peak 1837 from cnoeabs.peaks (2.77, 1.46, 28.90 ppm; 3.39 A): 6 out of 6 assignments used, quality = 1.00: * HE3 LYS 40 + HD2 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 2.4-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 74 74 100 100 2.2-3.0 3.0=100 HB3 ASP 61 + HD2 LYS 82 OK 36 62 75 76 2.8-6.6 3.0/9766=31, ~9767=20...(13) Violated in 0 structures by 0.00 A. Peak 1838 from cnoeabs.peaks (7.82, 1.46, 28.90 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: * H TYR 41 + HD2 LYS 40 OK 100 100 100 100 2.9-6.4 1805/3.5=99, 1793/3.5=98...(17) H TYR 41 + HD3 LYS 40 OK 100 100 100 100 3.8-5.5 1805/3.5=99, 1793/3.5=98...(16) H LYS 66 - HD2 LYS 82 poor 6 89 25 28 7.1-10.5 7062/10930=16...(4) HE ARG 30 - HD2 LYS 40 far 3 70 5 - 5.3-13.8 HE ARG 30 - HD3 LYS 40 far 3 69 5 - 5.8-13.1 Violated in 0 structures by 0.00 A. Peak 1839 from cnoeabs.peaks (7.63, 1.47, 28.90 ppm; 5.83 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 40 + HD3 LYS 40 OK 100 100 100 100 4.2-5.4 1783/3.5=97, 1795/3.5=97...(25) H LYS 40 + HD2 LYS 40 OK 100 100 100 100 4.5-5.5 1783/3.5=97, 1795/3.5=97...(24) H GLU 44 + HD2 LYS 40 OK 41 75 70 78 5.2-7.8 1806/3.0=33, 8973/3.0=28...(8) H GLU 44 - HD3 LYS 40 poor 15 75 20 - 4.2-8.2 Violated in 0 structures by 0.00 A. Peak 1840 from cnoeabs.peaks (3.86, 1.47, 28.90 ppm; 4.38 A): 3 out of 13 assignments used, quality = 1.00: HA LYS 40 + HD2 LYS 40 OK 100 100 100 100 3.6-4.2 5.2=59, 3.8/1824=37...(29) * HA LYS 40 + HD3 LYS 40 OK 100 100 100 100 3.8-4.1 5.2=59, 3.8/1824=37...(27) HA ARG 91 + HB2 ARG 91 OK 34 34 100 100 2.5-3.0 3.0=100 HA ALA 89 - HB2 ARG 91 poor 14 23 95 65 5.5-7.2 7441/3.9=25, 3904/4.3=24...(9) HA LEU 38 - HD2 LYS 40 far 0 99 0 - 6.2-9.6 HB2 SER 85 - HB2 ARG 91 far 0 21 0 - 7.0-9.3 HA LEU 38 - HD3 LYS 40 far 0 99 0 - 7.2-8.3 HA GLU 43 - HD3 LYS 40 far 0 94 0 - 7.3-9.5 HA LYS 94 - HB2 ARG 91 far 0 44 0 - 7.8-8.8 HA GLU 43 - HD2 LYS 40 far 0 94 0 - 8.0-9.1 HA GLU 35 - HD3 LYS 40 far 0 90 0 - 8.9-11.5 HA GLU 35 - HD2 LYS 40 far 0 89 0 - 9.4-11.4 HB2 SER 85 - HD2 LYS 82 far 0 60 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 1841 from cnoeabs.peaks (1.65, 1.47, 28.90 ppm; 5.16 A): 7 out of 19 assignments used, quality = 1.00: * HB2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.0-4.1 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.9-3.4 3.5=100 HB3 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.8-3.3 3.5=100 HB3 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.0-4.0 3.5=100 HD2 LYS 39 + HD3 LYS 40 OK 25 99 35 71 3.8-9.2 ~1788=16, ~1800=15...(18) HB3 ARG 91 + HB2 ARG 91 OK 23 23 100 100 1.8-1.8 1.8=100 HD2 LYS 94 + HB2 ARG 91 OK 22 34 70 90 5.0-9.8 ~4184=20, ~4186=16...(36) HD3 LYS 39 - HD3 LYS 40 far 15 100 15 - 5.3-9.5 HD2 LYS 39 - HD2 LYS 40 far 15 99 15 - 4.4-10.3 HD3 LYS 39 - HD2 LYS 40 far 10 100 10 - 6.1-9.0 HD3 LYS 68 - HD2 LYS 82 far 0 99 0 - 7.2-11.4 HG2 LYS 68 - HD2 LYS 82 far 0 99 0 - 8.0-12.9 HD3 LYS 47 - HD2 LYS 40 far 0 67 0 - 8.1-11.9 HD2 LYS 47 - HD2 LYS 40 far 0 69 0 - 8.7-11.7 HD3 LYS 47 - HD3 LYS 40 far 0 68 0 - 8.8-13.2 HD2 LYS 68 - HD2 LYS 82 far 0 99 0 - 9.0-12.0 HD2 LYS 47 - HD3 LYS 40 far 0 70 0 - 9.5-13.1 HG3 LYS 47 - HD3 LYS 40 far 0 87 0 - 9.5-13.3 HG3 LYS 47 - HD2 LYS 40 far 0 87 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 1842 from cnoeabs.peaks (1.68, 1.47, 28.90 ppm; 4.53 A): 6 out of 17 assignments used, quality = 1.00: HB3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.0-4.0 3.5=100 * HB3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.8-3.3 3.5=100 HB2 LYS 40 + HD3 LYS 40 OK 63 63 100 100 2.0-4.1 3.5=100 HB2 LYS 40 + HD2 LYS 40 OK 63 63 100 100 2.9-3.4 3.5=100 HB3 ARG 91 + HB2 ARG 91 OK 44 44 100 100 1.8-1.8 1.8=100 HD3 LYS 90 + HB2 ARG 91 OK 31 40 85 91 4.0-7.5 7438/3.9=35, 4039/2.8=31...(26) HD2 LYS 39 - HD3 LYS 40 poor 16 79 20 - 3.8-9.2 HD2 LYS 39 - HD2 LYS 40 far 4 79 5 - 4.4-10.3 HD3 LYS 68 - HD2 LYS 82 far 0 71 0 - 7.2-11.4 HD3 LYS 47 - HD2 LYS 40 far 0 100 0 - 8.1-11.9 HD2 LYS 47 - HD2 LYS 40 far 0 100 0 - 8.7-11.7 HD3 LYS 47 - HD3 LYS 40 far 0 100 0 - 8.8-13.2 HD2 LYS 68 - HD2 LYS 82 far 0 73 0 - 9.0-12.0 HB3 LEU 70 - HD3 LYS 40 far 0 73 0 - 9.3-11.2 HG2 PRO 86 - HB2 ARG 91 far 0 42 0 - 9.4-10.5 HD2 LYS 47 - HD3 LYS 40 far 0 100 0 - 9.5-13.1 HB3 LEU 70 - HD2 LYS 40 far 0 73 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 1843 from cnoeabs.peaks (1.16, 1.47, 28.90 ppm; 3.20 A): 3 out of 8 assignments used, quality = 1.00: * HG2 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 HG3 LYS 82 + HD2 LYS 82 OK 90 90 100 100 2.3-3.0 2.9=100 QG2 THR 34 - HD3 LYS 40 far 0 95 0 - 7.3-10.4 HB2 LEU 57 - HB2 ARG 91 far 0 21 0 - 8.5-10.2 QG2 THR 34 - HD2 LYS 40 far 0 95 0 - 8.7-10.4 HB2 LEU 57 - HD2 LYS 82 far 0 60 0 - 8.7-9.9 HB2 LEU 6 - HD2 LYS 40 far 0 89 0 - 9.3-14.3 Violated in 0 structures by 0.00 A. Peak 1844 from cnoeabs.peaks (1.36, 1.47, 28.90 ppm; 2.96 A): 3 out of 17 assignments used, quality = 1.00: HG3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.2-2.9 3.0=100 * HG3 LYS 40 + HD3 LYS 40 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 LYS 82 + HD2 LYS 82 OK 92 94 100 98 2.3-3.7 3.5=58, 3655/1.8=29...(25) HG2 LYS 39 - HD3 LYS 40 far 0 97 0 - 4.7-9.2 HG3 LYS 94 - HB2 ARG 91 far 0 34 0 - 4.7-8.1 HG2 LYS 94 - HB2 ARG 91 far 0 36 0 - 5.1-8.8 HG2 LYS 39 - HD2 LYS 40 far 0 97 0 - 5.4-9.8 QB ALA 89 - HB2 ARG 91 far 0 36 0 - 5.7-7.1 HB3 ARG 30 - HD2 LYS 40 far 0 98 0 - 7.2-12.9 QB ALA 67 - HD2 LYS 82 far 0 88 0 - 7.5-10.3 HG3 LYS 68 - HD2 LYS 82 far 0 98 0 - 7.9-13.2 HB3 ARG 30 - HD3 LYS 40 far 0 98 0 - 8.3-12.1 HG LEU 14 - HB2 ARG 91 far 0 42 0 - 8.6-10.3 HG12 ILE 8 - HD2 LYS 82 far 0 99 0 - 8.9-12.6 QB ALA 89 - HD2 LYS 82 far 0 90 0 - 9.1-10.9 QB ALA 67 - HD2 LYS 40 far 0 89 0 - 9.2-12.3 QB ALA 25 - HB2 ARG 91 far 0 36 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 1845 from cnoeabs.peaks (1.46, 1.47, 28.90 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 82 + HD2 LYS 82 OK 99 99 - 100 HB2 ARG 91 + HB2 ARG 91 OK 34 34 - 100 Reference assignment not found: HD2 LYS 40 - HD3 LYS 40 Peak 1846 from cnoeabs.peaks (1.47, 1.47, 28.90 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 82 + HD2 LYS 82 OK 99 99 - 100 HB2 ARG 91 + HB2 ARG 91 OK 35 35 - 100 Peak 1847 from cnoeabs.peaks (2.77, 1.47, 28.90 ppm; 3.34 A): 6 out of 6 assignments used, quality = 1.00: * HE2 LYS 40 + HD3 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 2.4-3.0 3.0=100 HE2 LYS 40 + HD2 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 HE2 LYS 82 + HD2 LYS 82 OK 75 75 100 100 2.2-3.0 3.0=100 HB3 ASP 61 + HD2 LYS 82 OK 34 64 70 76 2.8-6.6 3.0/9766=29, ~9767=20...(13) Violated in 0 structures by 0.00 A. Peak 1848 from cnoeabs.peaks (2.77, 1.47, 28.90 ppm; 3.34 A): 6 out of 6 assignments used, quality = 1.00: HE2 LYS 40 + HD3 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 2.4-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 82 + HD2 LYS 82 OK 73 73 100 100 2.2-3.0 3.0=100 HB3 ASP 61 + HD2 LYS 82 OK 32 62 70 75 2.8-6.6 3.0/9766=29, ~9767=20...(13) Violated in 0 structures by 0.00 A. Peak 1849 from cnoeabs.peaks (7.82, 1.47, 28.90 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: H TYR 41 + HD2 LYS 40 OK 100 100 100 100 2.9-6.4 1805/3.5=99, 1793/3.5=98...(17) * H TYR 41 + HD3 LYS 40 OK 100 100 100 100 3.8-5.5 1805/3.5=99, 1793/3.5=98...(16) H LYS 66 - HD2 LYS 82 poor 6 89 25 28 7.1-10.5 7062/10930=15...(4) HE ARG 30 - HD2 LYS 40 far 3 69 5 - 5.3-13.8 HE ARG 30 - HD3 LYS 40 far 3 70 5 - 5.8-13.1 Violated in 0 structures by 0.00 A. Peak 1852 from cnoeabs.peaks (1.65, 2.77, 41.80 ppm; 5.16 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 3.8-4.5 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.7-5.2 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 63 63 100 100 3.6-4.8 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 63 63 100 100 3.4-4.3 4.8=100 HD2 LYS 39 - HE2 LYS 40 far 5 99 5 - 6.1-11.5 HD2 LYS 39 - HE3 LYS 40 far 5 99 5 - 6.1-11.2 HG2 LYS 68 - HE2 LYS 82 far 0 38 0 - 7.0-13.5 HD3 LYS 68 - HE2 LYS 82 far 0 38 0 - 7.4-11.9 HD3 LYS 39 - HE3 LYS 40 far 0 100 0 - 7.6-11.1 HD3 LYS 39 - HE2 LYS 40 far 0 100 0 - 7.6-10.7 HD3 LYS 47 - HE3 LYS 40 far 0 67 0 - 8.7-12.5 HD2 LYS 68 - HE2 LYS 82 far 0 38 0 - 8.8-13.4 HD2 LYS 47 - HE3 LYS 40 far 0 69 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1853 from cnoeabs.peaks (1.68, 2.77, 41.80 ppm; 4.90 A): 4 out of 10 assignments used, quality = 1.00: * HB3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 3.6-4.8 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.4-4.3 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 63 63 100 100 3.8-4.5 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 63 63 100 100 3.7-5.2 4.8=100 HD2 LYS 39 - HE2 LYS 40 far 4 79 5 - 6.1-11.5 HD2 LYS 39 - HE3 LYS 40 far 4 79 5 - 6.1-11.2 HD3 LYS 68 - HE2 LYS 82 far 0 23 0 - 7.4-11.9 HD3 LYS 47 - HE3 LYS 40 far 0 100 0 - 8.7-12.5 HD2 LYS 68 - HE2 LYS 82 far 0 24 0 - 8.8-13.4 HD2 LYS 47 - HE3 LYS 40 far 0 100 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1854 from cnoeabs.peaks (1.16, 2.77, 41.80 ppm; 3.95 A): 3 out of 5 assignments used, quality = 1.00: HG2 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.1-4.0 4.0=99 * HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.6-4.0 4.0=99 HG3 LYS 82 + HE2 LYS 82 OK 31 31 100 100 2.1-3.8 3.9=100 QG2 THR 34 - HE2 LYS 40 far 0 95 0 - 7.6-9.5 QG2 THR 34 - HE3 LYS 40 far 0 95 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 1855 from cnoeabs.peaks (1.36, 2.77, 41.80 ppm; 3.98 A): 3 out of 10 assignments used, quality = 1.00: * HG3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.2-4.1 4.0=100 HG3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.2-3.7 4.0=100 HB2 LYS 82 + HE2 LYS 82 OK 34 34 100 100 2.3-4.3 3657/1.8=58, 4.8=57...(17) HG2 LYS 39 - HE2 LYS 40 far 0 97 0 - 6.9-11.5 HG2 LYS 39 - HE3 LYS 40 far 0 97 0 - 7.0-11.0 QB ALA 67 - HE2 LYS 82 far 0 30 0 - 8.0-11.0 HB3 ARG 30 - HE3 LYS 40 far 0 98 0 - 8.5-11.9 QB ALA 89 - HE2 LYS 82 far 0 31 0 - 8.6-11.2 HG3 LYS 68 - HE2 LYS 82 far 0 37 0 - 8.6-14.2 HB3 ARG 30 - HE2 LYS 40 far 0 98 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 1856 from cnoeabs.peaks (1.46, 2.77, 41.80 ppm; 3.26 A): 5 out of 14 assignments used, quality = 1.00: HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 * HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 82 + HE2 LYS 82 OK 38 38 100 100 2.2-3.0 3.0=100 HB3 LEU 64 - HE2 LYS 82 poor 5 27 20 - 3.2-7.1 HG LEU 64 - HE2 LYS 82 far 3 34 10 - 4.1-8.2 HG3 LYS 39 - HE2 LYS 40 far 0 88 0 - 7.1-11.1 HG3 LYS 39 - HE3 LYS 40 far 0 88 0 - 7.2-10.5 HG2 LYS 66 - HE2 LYS 82 far 0 27 0 - 8.8-13.9 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 9.3-13.0 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 9.3-13.0 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.7-11.1 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1857 from cnoeabs.peaks (1.47, 2.77, 41.80 ppm; 3.26 A): 5 out of 16 assignments used, quality = 1.00: * HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 82 + HE2 LYS 82 OK 38 38 100 100 2.2-3.0 3.0=100 HB3 LEU 64 - HE2 LYS 82 poor 6 28 20 - 3.2-7.1 HG LEU 64 - HE2 LYS 82 far 3 34 10 - 4.1-8.2 HG3 LYS 39 - HE2 LYS 40 far 0 87 0 - 7.1-11.1 HG3 LYS 39 - HE3 LYS 40 far 0 87 0 - 7.2-10.5 HG3 LYS 33 - HE2 LYS 40 far 0 59 0 - 7.8-11.0 HG3 LYS 33 - HE3 LYS 40 far 0 59 0 - 8.3-11.3 HG2 LYS 66 - HE2 LYS 82 far 0 27 0 - 8.8-13.9 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 9.3-13.0 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 9.3-13.0 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.7-11.1 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1858 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 3 out of 3 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 82 + HE2 LYS 82 OK 24 24 - 100 Peak 1859 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 3 out of 3 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 82 + HE2 LYS 82 OK 24 24 - 100 Reference assignment not found: HE3 LYS 40 - HE2 LYS 40 Peak 1860 from cnoeabs.peaks (7.82, 2.77, 41.80 ppm; 5.98 A): 2 out of 5 assignments used, quality = 1.00: H TYR 41 + HE3 LYS 40 OK 100 100 100 100 5.0-6.5 6648/4.0=81, 1805/4.8=81...(11) * H TYR 41 + HE2 LYS 40 OK 100 100 100 100 5.6-7.4 6648/4.0=81, 1805/4.8=81...(11) HE ARG 30 - HE3 LYS 40 poor 17 69 25 - 6.9-11.5 HE ARG 30 - HE2 LYS 40 far 7 70 10 - 7.1-13.2 H LYS 66 - HE2 LYS 82 far 2 31 5 - 7.0-11.1 Violated in 0 structures by 0.00 A. Peak 1863 from cnoeabs.peaks (1.65, 2.77, 41.80 ppm; 5.16 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.7-5.2 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 3.8-4.5 4.8=100 HB3 LYS 40 + HE3 LYS 40 OK 63 63 100 100 3.4-4.3 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 63 63 100 100 3.6-4.8 4.8=100 HD2 LYS 39 - HE3 LYS 40 far 5 99 5 - 6.1-11.2 HD2 LYS 39 - HE2 LYS 40 far 5 99 5 - 6.1-11.5 HD3 LYS 39 - HE3 LYS 40 far 0 100 0 - 7.6-11.1 HD3 LYS 39 - HE2 LYS 40 far 0 100 0 - 7.6-10.7 HD3 LYS 47 - HE3 LYS 40 far 0 68 0 - 8.7-12.5 HD2 LYS 47 - HE3 LYS 40 far 0 70 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1864 from cnoeabs.peaks (1.68, 2.77, 41.80 ppm; 4.90 A): 4 out of 8 assignments used, quality = 1.00: * HB3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 3.4-4.3 4.8=100 HB3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 3.6-4.8 4.8=100 HB2 LYS 40 + HE3 LYS 40 OK 63 63 100 100 3.7-5.2 4.8=100 HB2 LYS 40 + HE2 LYS 40 OK 63 63 100 100 3.8-4.5 4.8=100 HD2 LYS 39 - HE3 LYS 40 far 4 79 5 - 6.1-11.2 HD2 LYS 39 - HE2 LYS 40 far 4 79 5 - 6.1-11.5 HD3 LYS 47 - HE3 LYS 40 far 0 100 0 - 8.7-12.5 HD2 LYS 47 - HE3 LYS 40 far 0 100 0 - 8.9-13.1 Violated in 0 structures by 0.00 A. Peak 1865 from cnoeabs.peaks (1.16, 2.77, 41.80 ppm; 3.95 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 40 + HE3 LYS 40 OK 99 100 100 99 2.1-4.0 4.0=99 HG2 LYS 40 + HE2 LYS 40 OK 99 100 100 99 2.6-4.0 4.0=99 QG2 THR 34 - HE2 LYS 40 far 0 95 0 - 7.6-9.5 QG2 THR 34 - HE3 LYS 40 far 0 95 0 - 7.8-10.3 Violated in 0 structures by 0.00 A. Peak 1866 from cnoeabs.peaks (1.36, 2.77, 41.80 ppm; 3.98 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.2-3.7 4.0=100 HG3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.2-4.1 4.0=100 HG2 LYS 39 - HE2 LYS 40 far 0 97 0 - 6.9-11.5 HG2 LYS 39 - HE3 LYS 40 far 0 97 0 - 7.0-11.0 HB3 ARG 30 - HE3 LYS 40 far 0 98 0 - 8.5-11.9 HB3 ARG 30 - HE2 LYS 40 far 0 98 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 1867 from cnoeabs.peaks (1.46, 2.77, 41.80 ppm; 3.26 A): 4 out of 10 assignments used, quality = 1.00: * HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 - HE2 LYS 40 far 0 88 0 - 7.1-11.1 HG3 LYS 39 - HE3 LYS 40 far 0 88 0 - 7.2-10.5 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 9.3-13.0 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 9.3-13.0 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.7-11.1 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1868 from cnoeabs.peaks (1.47, 2.77, 41.80 ppm; 3.26 A): 4 out of 12 assignments used, quality = 1.00: * HD3 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 40 + HE3 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 39 - HE2 LYS 40 far 0 87 0 - 7.1-11.1 HG3 LYS 39 - HE3 LYS 40 far 0 87 0 - 7.2-10.5 HG3 LYS 33 - HE2 LYS 40 far 0 59 0 - 7.8-11.0 HG3 LYS 33 - HE3 LYS 40 far 0 59 0 - 8.3-11.3 HG LEU 38 - HE2 LYS 40 far 0 100 0 - 9.3-13.0 HG LEU 38 - HE3 LYS 40 far 0 100 0 - 9.3-13.0 HB2 LEU 38 - HE3 LYS 40 far 0 99 0 - 9.7-11.1 HB2 LEU 38 - HE2 LYS 40 far 0 99 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1869 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 2 out of 2 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 Reference assignment not found: HE2 LYS 40 - HE3 LYS 40 Peak 1870 from cnoeabs.peaks (2.77, 2.77, 41.80 ppm; diagonal): 2 out of 2 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 Peak 1871 from cnoeabs.peaks (7.82, 2.77, 41.80 ppm; 5.98 A): 2 out of 4 assignments used, quality = 1.00: * H TYR 41 + HE3 LYS 40 OK 100 100 100 100 5.0-6.5 6648/4.0=81, 1805/4.8=81...(11) H TYR 41 + HE2 LYS 40 OK 100 100 100 100 5.6-7.4 6648/4.0=81, 1805/4.8=81...(11) HE ARG 30 - HE3 LYS 40 poor 17 70 25 - 6.9-11.5 HE ARG 30 - HE2 LYS 40 far 7 69 10 - 7.1-13.2 Violated in 0 structures by 0.00 A. Peak 1872 from cnoeabs.peaks (7.82, 3.93, 59.76 ppm; 3.80 A): 1 out of 2 assignments used, quality = 1.00: * H TYR 41 + HA TYR 41 OK 100 100 100 100 2.7-2.9 3.0=100 HE ARG 30 - HA TYR 41 poor 18 70 55 47 3.1-8.4 1891/3.0=14...(6) Violated in 0 structures by 0.00 A. Peak 1873 from cnoeabs.peaks (3.93, 3.93, 59.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 41 + HA TYR 41 OK 100 100 - 100 Peak 1874 from cnoeabs.peaks (2.31, 3.93, 59.76 ppm; 3.67 A): 1 out of 5 assignments used, quality = 1.00: * HB2 TYR 41 + HA TYR 41 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLU 44 - HA TYR 41 poor 20 59 40 83 3.2-6.1 3.0/1881=43, 1.8/2018=30...(13) HG3 GLU 43 - HA TYR 41 far 0 99 0 - 6.1-7.3 HB2 TYR 4 - HA TYR 41 far 0 88 0 - 8.1-9.1 HG2 GLU 48 - HA TYR 41 far 0 93 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 1875 from cnoeabs.peaks (2.64, 3.93, 59.76 ppm; 3.87 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 41 + HA TYR 41 OK 100 100 100 100 2.4-2.6 3.0=100 HD2 ARG 30 - HA TYR 41 poor 17 68 25 - 4.8-6.5 HG3 MET 74 - HA TYR 41 far 0 96 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 1876 from cnoeabs.peaks (6.83, 3.93, 59.76 ppm; 3.24 A): 2 out of 2 assignments used, quality = 0.99: * QD TYR 41 + HA TYR 41 OK 97 100 100 97 2.1-2.9 3.7=65, 6657/3.0=24...(25) QE TYR 41 + HA TYR 41 OK 66 87 100 75 4.4-4.6 6657/3.0=20, 1887/3.0=19...(14) Violated in 0 structures by 0.00 A. Peak 1878 from cnoeabs.peaks (7.96, 3.93, 59.76 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + HA TYR 41 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1879 from cnoeabs.peaks (7.60, 3.93, 59.76 ppm; 4.26 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 44 + HA TYR 41 OK 100 100 100 100 3.7-4.1 6722/10584=50, 6701=48...(20) H LYS 40 + HA TYR 41 OK 73 75 100 97 5.2-5.4 6644/3.0=60, 6638/3.6=34...(15) H GLU 48 - HA TYR 41 far 0 97 0 - 9.3-11.2 Violated in 0 structures by 0.00 A. Peak 1880 from cnoeabs.peaks (2.00, 3.93, 59.76 ppm; 3.47 A): 2 out of 7 assignments used, quality = 0.85: * HB2 GLU 44 + HA TYR 41 OK 78 100 90 87 3.0-5.5 2001=27, 8988/3.7=26...(12) HB3 GLU 44 + HA TYR 41 OK 30 100 40 75 3.3-5.6 4.7/10584=24...(10) HB2 GLU 37 - HA TYR 41 far 0 88 0 - 5.9-7.6 QE MET 74 - HA TYR 41 far 0 100 0 - 6.6-7.6 HB2 ARG 46 - HA TYR 41 far 0 84 0 - 8.0-10.7 HB2 LYS 47 - HA TYR 41 far 0 73 0 - 8.5-11.9 HB3 MET 74 - HA TYR 41 far 0 61 0 - 8.8-10.4 Violated in 14 structures by 0.20 A. Peak 1881 from cnoeabs.peaks (2.00, 3.93, 59.76 ppm; 3.47 A): 2 out of 7 assignments used, quality = 0.85: HB2 GLU 44 + HA TYR 41 OK 78 100 90 87 3.0-5.5 2001=27, 8988/3.7=26...(12) * HB3 GLU 44 + HA TYR 41 OK 30 100 40 75 3.3-5.6 4.7/10584=24...(10) HB2 GLU 37 - HA TYR 41 far 0 88 0 - 5.9-7.6 QE MET 74 - HA TYR 41 far 0 100 0 - 6.6-7.6 HB2 ARG 46 - HA TYR 41 far 0 84 0 - 8.0-10.7 HB2 LYS 47 - HA TYR 41 far 0 73 0 - 8.5-11.9 HB3 MET 74 - HA TYR 41 far 0 61 0 - 8.8-10.4 Violated in 14 structures by 0.20 A. Peak 1882 from cnoeabs.peaks (3.87, 2.31, 36.90 ppm; 4.37 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 38 + HB2 TYR 41 OK 100 100 100 100 2.6-3.4 1624=91, 1890/1.8=75...(15) HA LYS 40 + HB2 TYR 41 OK 67 99 70 97 5.7-6.0 3.6/6655=68...(16) HA ALA 67 - HB2 TYR 41 far 0 92 0 - 7.1-8.3 HA GLU 43 - HB2 TYR 41 far 0 99 0 - 7.6-7.9 HA GLU 35 - HB2 TYR 41 far 0 98 0 - 7.7-9.3 HA ALA 71 - HB2 TYR 41 far 0 81 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 1883 from cnoeabs.peaks (7.82, 2.31, 36.90 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * H TYR 41 + HB2 TYR 41 OK 100 100 100 100 2.3-2.8 6655=100, 6656/1.8=87...(16) HE ARG 30 + HB2 TYR 41 OK 21 70 45 68 3.7-8.6 1891/1.8=19...(9) Violated in 0 structures by 0.00 A. Peak 1884 from cnoeabs.peaks (3.93, 2.31, 36.90 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + HB2 TYR 41 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 44 - HB2 TYR 41 far 0 99 0 - 8.2-8.8 Violated in 0 structures by 0.00 A. Peak 1885 from cnoeabs.peaks (2.31, 2.31, 36.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 41 + HB2 TYR 41 OK 100 100 - 100 Peak 1886 from cnoeabs.peaks (2.64, 2.31, 36.90 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * HB3 TYR 41 + HB2 TYR 41 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 30 - HB2 TYR 41 far 0 68 0 - 5.0-7.5 HG3 MET 74 - HB2 TYR 41 far 0 96 0 - 7.2-9.3 Violated in 0 structures by 0.00 A. Peak 1887 from cnoeabs.peaks (6.83, 2.31, 36.90 ppm; 3.72 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 41 + HB2 TYR 41 OK 100 100 100 100 2.3-2.8 2.5=100 QE TYR 41 + HB2 TYR 41 OK 81 87 100 93 4.4-4.5 4.4=59, 1895/1.8=33...(15) Violated in 0 structures by 0.00 A. Peak 1889 from cnoeabs.peaks (7.96, 2.31, 36.90 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB2 TYR 41 OK 100 100 100 100 2.7-3.1 4.1=100 H LEU 70 - HB2 TYR 41 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1890 from cnoeabs.peaks (3.87, 2.64, 36.90 ppm; 4.48 A): 1 out of 6 assignments used, quality = 1.00: * HA LEU 38 + HB3 TYR 41 OK 100 100 100 100 4.2-5.0 1625=97, 1624/1.8=77...(18) HA LYS 40 - HB3 TYR 41 far 0 99 0 - 6.6-6.6 HA GLU 43 - HB3 TYR 41 far 0 99 0 - 7.9-8.3 HA ALA 67 - HB3 TYR 41 far 0 92 0 - 8.4-10.0 HA ALA 71 - HB3 TYR 41 far 0 81 0 - 8.7-10.0 HA GLU 35 - HB3 TYR 41 far 0 98 0 - 9.4-10.8 Violated in 18 structures by 0.28 A. Peak 1891 from cnoeabs.peaks (7.82, 2.64, 36.90 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * H TYR 41 + HB3 TYR 41 OK 100 100 100 100 3.6-3.6 6656=100, 6655/1.8=80...(18) HE ARG 30 + HB3 TYR 41 OK 34 70 65 75 1.9-7.6 14601/2.5=16, ~8709=14...(14) H GLU 28 - HB3 TYR 41 far 0 85 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 1892 from cnoeabs.peaks (3.93, 2.64, 36.90 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + HB3 TYR 41 OK 100 100 100 100 2.4-2.6 3.0=100 HA GLU 44 - HB3 TYR 41 far 0 99 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 1893 from cnoeabs.peaks (2.31, 2.64, 36.90 ppm; 3.11 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + HB3 TYR 41 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 - HB3 TYR 41 far 0 59 0 - 4.9-8.3 HB2 TYR 4 - HB3 TYR 41 far 0 88 0 - 6.6-7.7 HG3 GLU 43 - HB3 TYR 41 far 0 99 0 - 7.5-8.4 Violated in 0 structures by 0.00 A. Peak 1894 from cnoeabs.peaks (2.64, 2.64, 36.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 41 + HB3 TYR 41 OK 100 100 - 100 Peak 1895 from cnoeabs.peaks (6.83, 2.64, 36.90 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * QD TYR 41 + HB3 TYR 41 OK 100 100 100 100 2.3-2.8 2.5=100 QE TYR 41 + HB3 TYR 41 OK 84 87 100 96 4.4-4.5 4.4=62, 1887/1.8=34...(20) Violated in 0 structures by 0.00 A. Peak 1897 from cnoeabs.peaks (7.96, 2.64, 36.90 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 42 + HB3 TYR 41 OK 100 100 100 100 3.6-4.0 4.1=100 Violated in 0 structures by 0.00 A. Peak 1898 from cnoeabs.peaks (7.96, 3.70, 58.24 ppm; 3.82 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HA LEU 42 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 70 - HA LEU 42 far 0 100 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 1899 from cnoeabs.peaks (3.70, 3.70, 58.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 42 + HA LEU 42 OK 100 100 - 100 Peak 1900 from cnoeabs.peaks (1.81, 3.70, 58.24 ppm; 3.81 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 42 + HA LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 46 + HA LEU 42 OK 26 94 40 69 4.4-7.2 9023/10878=29...(10) HG3 ARG 46 - HA LEU 42 far 5 92 5 - 5.1-8.3 HB VAL 78 - HA LEU 42 far 0 82 0 - 5.4-6.7 HB2 LYS 39 - HA LEU 42 far 0 99 0 - 7.7-8.3 HB2 LYS 53 - HA LEU 42 far 0 70 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 1901 from cnoeabs.peaks (1.30, 3.70, 58.24 ppm; 3.73 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 42 + HA LEU 42 OK 100 100 100 100 2.3-2.5 3.0=100 QB ALA 67 - HA LEU 42 far 0 70 0 - 6.4-8.0 HG2 ARG 30 - HA LEU 42 far 0 99 0 - 6.7-8.5 HB3 LEU 2 - HA LEU 42 far 0 77 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 1902 from cnoeabs.peaks (1.90, 3.70, 58.24 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 42 + HA LEU 42 OK 100 100 100 100 2.8-3.6 2.1/1944=86, 4.3=77...(22) HB VAL 54 + HA LEU 42 OK 31 99 35 91 4.5-6.0 2.1/10657=54...(10) HB2 GLU 43 - HA LEU 42 far 0 99 0 - 5.8-6.6 HB3 LYS 39 - HA LEU 42 far 0 70 0 - 6.9-7.6 HB3 LYS 47 - HA LEU 42 far 0 81 0 - 8.7-10.3 Violated in 0 structures by 0.00 A. Peak 1903 from cnoeabs.peaks (0.69, 3.70, 58.24 ppm; 3.86 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 42 + HA LEU 42 OK 100 100 100 100 3.9-4.0 4.0=88, 2.1/1944=85...(22) QG2 VAL 54 + HA LEU 42 OK 65 70 100 94 3.0-4.4 2.1/10657=53...(18) QD2 LEU 6 + HA LEU 42 OK 52 100 80 65 4.2-5.6 8208/14683=19, 627=15...(12) QD1 ILE 52 + HA LEU 42 OK 39 100 45 87 4.6-5.9 9147/8928=42...(11) QD1 ILE 56 - HA LEU 42 poor 19 93 20 - 4.9-7.0 QG2 VAL 78 - HA LEU 42 far 0 71 0 - 5.8-6.9 HG13 ILE 56 - HA LEU 42 far 0 84 0 - 6.8-8.6 QD1 ILE 8 - HA LEU 42 far 0 91 0 - 7.9-9.9 QD1 LEU 29 - HA LEU 42 far 0 68 0 - 9.0-11.3 QG1 VAL 5 - HA LEU 42 far 0 61 0 - 9.0-10.1 QG1 VAL 58 - HA LEU 42 far 0 73 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 1904 from cnoeabs.peaks (0.77, 3.70, 58.24 ppm; 3.05 A): 4 out of 7 assignments used, quality = 1.00: * QD2 LEU 42 + HA LEU 42 OK 99 100 100 99 2.2-2.7 1944=90, 1943/3.0=32...(21) QG1 VAL 54 + HA LEU 42 OK 84 100 100 85 3.0-4.3 10657=56, 10653/3.0=21...(15) QD1 ILE 76 + HA LEU 42 OK 62 70 100 90 2.8-3.4 10286/3.0=20...(29) QG1 VAL 78 + HA LEU 42 OK 47 91 75 69 3.9-4.7 10657=32, 10653/3.0=19...(14) QD1 LEU 6 - HA LEU 42 poor 18 100 35 51 4.0-5.7 8211/8928=18...(9) QG2 ILE 52 - HA LEU 42 far 0 98 0 - 5.5-8.2 QD2 LEU 57 - HA LEU 42 far 0 79 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 1905 from cnoeabs.peaks (8.19, 3.70, 58.24 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 43 + HA LEU 42 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 1906 from cnoeabs.peaks (8.26, 3.70, 58.24 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H PHE 45 + HA LEU 42 OK 100 100 100 100 3.2-3.7 6719=100, 6698/3.6=62...(15) H ALA 71 - HA LEU 42 far 0 100 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 1907 from cnoeabs.peaks (2.98, 3.70, 58.24 ppm; 3.98 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 45 + HA LEU 42 OK 99 100 100 99 3.0-5.2 2.5/8928=66, 3.7/6719=48...(19) HB3 PHE 45 + HA LEU 42 OK 95 96 100 99 3.0-4.9 2.5/8928=66, 3.7/6719=48...(20) HE3 LYS 47 - HA LEU 42 far 0 99 0 - 8.4-11.9 HE2 LYS 47 - HA LEU 42 far 0 99 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 1908 from cnoeabs.peaks (2.97, 3.70, 58.24 ppm; 3.95 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 45 + HA LEU 42 OK 99 100 100 99 3.0-4.9 2.5/8928=65, 3.7/6719=48...(20) HB2 PHE 45 + HA LEU 42 OK 95 96 100 99 3.0-5.2 2.5/8928=65, 3.7/6719=48...(19) HE3 LYS 47 - HA LEU 42 far 0 100 0 - 8.4-11.9 HE2 LYS 47 - HA LEU 42 far 0 100 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 1909 from cnoeabs.peaks (3.61, 1.81, 40.51 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB2 LEU 42 OK 100 100 100 100 2.4-3.4 1679/1.8=83, 8953/3.1=75...(25) Violated in 0 structures by 0.00 A. Peak 1910 from cnoeabs.peaks (7.96, 1.81, 40.51 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.4-2.9 4.0=100 H LEU 70 - HB2 LEU 42 far 0 100 0 - 7.2-8.8 Violated in 0 structures by 0.00 A. Peak 1911 from cnoeabs.peaks (3.70, 1.81, 40.51 ppm; 4.21 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB2 LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 37 - HB2 LEU 42 far 0 100 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 1912 from cnoeabs.peaks (1.81, 1.81, 40.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 42 + HB2 LEU 42 OK 100 100 - 100 Peak 1913 from cnoeabs.peaks (1.30, 1.81, 40.51 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HB2 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 67 - HB2 LEU 42 far 0 70 0 - 5.9-7.4 HG2 ARG 30 - HB2 LEU 42 far 0 99 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 1914 from cnoeabs.peaks (1.90, 1.81, 40.51 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 LYS 39 + HB2 LEU 42 OK 68 70 100 98 4.3-5.0 3.0/1909=47, ~1679=34...(22) HB2 GLU 43 - HB2 LEU 42 far 5 99 5 - 4.9-5.9 HB VAL 54 - HB2 LEU 42 far 0 99 0 - 6.0-7.8 HB3 LYS 47 - HB2 LEU 42 far 0 81 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 1915 from cnoeabs.peaks (0.69, 1.81, 40.51 ppm; 3.73 A): 1 out of 9 assignments used, quality = 1.00: * QD1 LEU 42 + HB2 LEU 42 OK 100 100 100 100 2.0-2.4 3.1=100 QG2 VAL 54 - HB2 LEU 42 poor 17 70 25 - 4.9-6.5 QG2 VAL 78 - HB2 LEU 42 far 0 71 0 - 5.3-6.5 QD2 LEU 6 - HB2 LEU 42 far 0 100 0 - 5.3-7.6 QD1 ILE 56 - HB2 LEU 42 far 0 93 0 - 5.6-7.5 QD1 ILE 52 - HB2 LEU 42 far 0 100 0 - 6.2-7.9 HG13 ILE 56 - HB2 LEU 42 far 0 84 0 - 6.9-8.8 QD1 ILE 8 - HB2 LEU 42 far 0 91 0 - 7.8-9.7 QG1 VAL 58 - HB2 LEU 42 far 0 73 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1916 from cnoeabs.peaks (0.77, 1.81, 40.51 ppm; 3.86 A): 5 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + HB2 LEU 42 OK 100 100 100 100 3.1-3.2 3.1=100 QG1 VAL 78 + HB2 LEU 42 OK 80 91 100 89 3.7-5.1 10653/1.8=40...(21) QD1 ILE 76 + HB2 LEU 42 OK 69 70 100 99 2.0-3.0 10286/1.8=43, ~10599=31...(37) QD1 LEU 6 + HB2 LEU 42 OK 31 100 50 62 4.9-7.1 6677/6673=17, 1933/3.0=9...(15) QG1 VAL 54 + HB2 LEU 42 OK 23 100 25 93 4.9-6.5 10657/3.0=45...(20) QG2 ILE 52 - HB2 LEU 42 far 0 98 0 - 6.9-10.0 Violated in 0 structures by 0.00 A. Peak 1917 from cnoeabs.peaks (8.19, 1.81, 40.51 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 43 + HB2 LEU 42 OK 100 100 100 100 2.4-2.9 4.6=100 H LYS 68 - HB2 LEU 42 far 0 100 0 - 9.1-10.5 H ASP 36 - HB2 LEU 42 far 0 99 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 1918 from cnoeabs.peaks (3.61, 1.30, 40.51 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HB3 LEU 42 OK 100 100 100 100 4.1-4.6 1679=93, 1909/1.8=84...(24) Violated in 0 structures by 0.00 A. Peak 1919 from cnoeabs.peaks (7.96, 1.30, 40.51 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HB3 LEU 42 OK 100 100 100 100 3.5-3.6 4.0=100 H LEU 70 - HB3 LEU 42 far 0 100 0 - 7.3-9.2 Violated in 0 structures by 0.00 A. Peak 1920 from cnoeabs.peaks (3.70, 1.30, 40.51 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.3-2.5 3.0=100 HA GLU 37 - HB3 LEU 42 far 0 100 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 1921 from cnoeabs.peaks (1.81, 1.30, 40.51 ppm; 3.30 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 46 - HB3 LEU 42 poor 19 94 40 50 4.1-6.9 9023/10286=23...(11) HG3 ARG 46 - HB3 LEU 42 poor 18 92 20 - 4.4-7.7 HB VAL 78 - HB3 LEU 42 far 4 82 5 - 4.5-6.1 HB2 LYS 39 - HB3 LEU 42 far 0 99 0 - 6.6-7.5 HB2 LYS 68 - HB3 LEU 42 far 0 75 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 1922 from cnoeabs.peaks (1.30, 1.30, 40.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 42 + HB3 LEU 42 OK 100 100 - 100 Peak 1923 from cnoeabs.peaks (1.90, 1.30, 40.51 ppm; 4.03 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 42 + HB3 LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 54 + HB3 LEU 42 OK 47 99 50 96 4.3-6.2 2.1/10653=42...(20) HB3 LYS 39 - HB3 LEU 42 far 0 70 0 - 5.8-6.7 HB2 GLU 43 - HB3 LEU 42 far 0 99 0 - 6.0-7.2 HB3 LYS 47 - HB3 LEU 42 far 0 81 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 1924 from cnoeabs.peaks (0.69, 1.30, 40.51 ppm; 3.71 A): 3 out of 11 assignments used, quality = 1.00: * QD1 LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.2-2.7 3.1=100 QG2 VAL 54 + HB3 LEU 42 OK 63 70 100 90 3.4-5.2 2.1/10653=38, ~10657=21...(21) QG2 VAL 78 + HB3 LEU 42 OK 45 71 75 84 4.6-5.5 2.1/10653=35, ~10657=12...(23) QD1 ILE 52 - HB3 LEU 42 poor 20 100 20 - 5.1-6.8 QD1 ILE 56 - HB3 LEU 42 poor 19 93 20 - 4.9-6.3 QD2 LEU 6 - HB3 LEU 42 far 0 100 0 - 5.3-6.9 HG13 ILE 56 - HB3 LEU 42 far 0 84 0 - 6.3-8.5 QD1 ILE 8 - HB3 LEU 42 far 0 91 0 - 8.1-9.5 QG1 VAL 58 - HB3 LEU 42 far 0 73 0 - 9.8-10.9 QG1 VAL 5 - HB3 LEU 42 far 0 61 0 - 9.9-10.9 QD1 LEU 29 - HB3 LEU 42 far 0 68 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 1925 from cnoeabs.peaks (0.77, 1.30, 40.51 ppm; 3.75 A): 5 out of 6 assignments used, quality = 1.00: * QD2 LEU 42 + HB3 LEU 42 OK 100 100 100 100 2.0-2.5 3.1=100 QG1 VAL 54 + HB3 LEU 42 OK 95 100 100 95 3.9-5.1 10653=52, 10657/3.0=43...(20) QG1 VAL 78 + HB3 LEU 42 OK 84 91 100 93 2.5-3.7 10653=48, 10657/3.0=25...(21) QD1 ILE 76 + HB3 LEU 42 OK 69 70 100 99 1.7-2.1 10286=46, 3.2/10883=38...(37) QD1 LEU 6 + HB3 LEU 42 OK 31 100 50 62 4.8-6.9 6677/6674=14...(14) QG2 ILE 52 - HB3 LEU 42 far 0 98 0 - 5.8-8.8 Violated in 0 structures by 0.00 A. Peak 1926 from cnoeabs.peaks (8.19, 1.30, 40.51 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 43 + HB3 LEU 42 OK 100 100 100 100 3.5-4.1 4.6=100 H LYS 68 - HB3 LEU 42 far 0 100 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 1927 from cnoeabs.peaks (7.96, 1.90, 26.36 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + HG LEU 42 OK 100 100 100 100 1.8-2.4 6675=100, 6676/2.1=75...(24) H LEU 70 - HG LEU 42 far 0 100 0 - 6.8-8.7 Violated in 0 structures by 0.00 A. Peak 1928 from cnoeabs.peaks (3.70, 1.90, 26.36 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 42 + HG LEU 42 OK 100 100 100 100 2.8-3.6 4.3=100 HA GLU 37 - HG LEU 42 far 0 100 0 - 6.9-7.7 HB THR 80 - HG LEU 42 far 0 85 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1929 from cnoeabs.peaks (1.81, 1.90, 26.36 ppm; 3.77 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LYS 39 + HG LEU 42 OK 24 99 25 99 4.4-6.6 ~10570=35, ~8953=31...(28) HB VAL 78 - HG LEU 42 far 4 82 5 - 5.0-7.9 HG2 ARG 46 - HG LEU 42 far 0 94 0 - 6.0-9.3 HG3 ARG 46 - HG LEU 42 far 0 92 0 - 6.9-10.3 HB2 LYS 68 - HG LEU 42 far 0 75 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 1930 from cnoeabs.peaks (1.30, 1.90, 26.36 ppm; 4.59 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 42 + HG LEU 42 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 67 + HG LEU 42 OK 49 70 100 71 4.4-5.9 1946/2.1=24, 1938/2.1=16...(18) HG2 ARG 30 - HG LEU 42 far 0 99 0 - 7.3-8.9 Violated in 0 structures by 0.00 A. Peak 1931 from cnoeabs.peaks (1.90, 1.90, 26.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 42 + HG LEU 42 OK 100 100 - 100 Peak 1932 from cnoeabs.peaks (0.69, 1.90, 26.36 ppm; 3.77 A): 4 out of 11 assignments used, quality = 1.00: * QD1 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 6 + HG LEU 42 OK 39 100 70 55 3.3-6.5 223/2.1=11, 2.1/1933=10...(14) QD1 ILE 56 + HG LEU 42 OK 31 93 70 48 3.7-6.9 2.1/10678=15, 323=10...(12) QG2 VAL 54 + HG LEU 42 OK 24 70 45 77 4.5-6.9 1924/3.0=18, ~10653=17...(12) HG13 ILE 56 - HG LEU 42 far 13 84 15 - 4.9-7.6 QG2 VAL 78 - HG LEU 42 far 11 71 15 - 4.9-6.4 QD1 ILE 8 - HG LEU 42 far 0 91 0 - 5.8-7.9 QD1 ILE 52 - HG LEU 42 far 0 100 0 - 7.0-8.5 QG1 VAL 58 - HG LEU 42 far 0 73 0 - 7.9-9.7 QD1 LEU 29 - HG LEU 42 far 0 68 0 - 8.5-12.0 QG1 VAL 5 - HG LEU 42 far 0 61 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 1933 from cnoeabs.peaks (0.77, 1.90, 26.36 ppm; 3.56 A): 5 out of 10 assignments used, quality = 1.00: * QD2 LEU 42 + HG LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 76 + HG LEU 42 OK 68 70 100 97 3.9-4.5 ~10599=34, ~9667=33...(27) QG1 VAL 54 + HG LEU 42 OK 61 100 75 82 3.6-6.3 10653/3.0=29...(16) QG1 VAL 78 + HG LEU 42 OK 59 91 80 81 3.9-5.7 10653/3.0=27...(17) QD1 LEU 6 + HG LEU 42 OK 47 100 80 58 2.8-5.3 6677/6675=15...(15) QG2 ILE 52 - HG LEU 42 far 0 98 0 - 7.7-10.4 QG2 ILE 8 - HG LEU 42 far 0 92 0 - 8.3-10.0 QD2 LEU 57 - HG LEU 42 far 0 79 0 - 8.8-11.0 QG2 ILE 7 - HG LEU 42 far 0 73 0 - 9.7-11.2 QD1 LEU 64 - HG LEU 42 far 0 85 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 1934 from cnoeabs.peaks (8.19, 1.90, 26.36 ppm; 5.45 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 43 + HG LEU 42 OK 100 100 100 100 3.5-4.4 6685/6675=96...(21) H LYS 68 - HG LEU 42 far 0 100 0 - 8.0-9.3 H ASP 36 - HG LEU 42 far 0 99 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 1935 from cnoeabs.peaks (7.96, 0.69, 25.64 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD1 LEU 42 OK 100 100 100 100 3.0-3.6 6676=100, 6675/2.1=95...(29) H LEU 70 + QD1 LEU 42 OK 99 100 100 99 4.0-5.4 3142/9544=68...(15) Violated in 0 structures by 0.00 A. Peak 1936 from cnoeabs.peaks (3.70, 0.69, 25.64 ppm; 3.96 A): 2 out of 6 assignments used, quality = 1.00: * HA LEU 42 + QD1 LEU 42 OK 100 100 100 100 3.9-4.0 4.0=95, 1944/2.1=88...(21) HA LEU 14 + QD1 LEU 14 OK 83 83 100 100 3.0-3.7 4.0=97, 611/2.1=60...(34) HA LYS 90 - QD1 LEU 14 far 0 61 0 - 5.8-6.4 HA GLU 37 - QD1 LEU 42 far 0 100 0 - 6.5-7.5 HB THR 80 - QD1 LEU 42 far 0 85 0 - 7.3-8.5 HB THR 80 - QD1 LEU 14 far 0 79 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 1937 from cnoeabs.peaks (1.81, 0.69, 25.64 ppm; 3.65 A): 4 out of 15 assignments used, quality = 1.00: * HB2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.0-2.4 3.1=100 HB2 LYS 39 + QD1 LEU 42 OK 99 99 100 99 3.5-4.7 3.0/10570=62...(29) HB3 LEU 57 + QD1 LEU 14 OK 75 89 100 84 4.1-5.0 9813/9807=17...(20) HB VAL 78 + QD1 LEU 42 OK 52 82 80 79 3.8-5.6 1945/2.1=28, 2.1/1941=20...(19) HB2 GLU 88 - QD1 LEU 14 far 14 96 15 - 4.6-5.7 HB2 LYS 90 - QD1 LEU 14 far 5 96 5 - 5.1-6.8 HG2 ARG 46 - QD1 LEU 42 far 0 94 0 - 5.3-8.0 HG3 ARG 46 - QD1 LEU 42 far 0 92 0 - 5.5-8.5 HB3 LYS 90 - QD1 LEU 14 far 0 76 0 - 5.8-7.1 HB2 LYS 68 - QD1 LEU 42 far 0 75 0 - 6.6-7.6 HB ILE 93 - QD1 LEU 14 far 0 96 0 - 7.2-8.2 HB3 GLU 63 - QD1 LEU 14 far 0 72 0 - 8.1-9.5 HB3 GLU 63 - QD1 LEU 42 far 0 79 0 - 9.0-10.6 HB2 GLU 104 - QD1 LEU 14 far 0 96 0 - 9.4-19.2 HB2 LYS 53 - QD1 LEU 42 far 0 70 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 1938 from cnoeabs.peaks (1.30, 0.69, 25.64 ppm; 3.28 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.2-2.7 3.1=100 QB ALA 89 + QD1 LEU 14 OK 55 60 100 92 1.7-1.9 2.9/8402=31...(25) QB ALA 67 + QD1 LEU 42 OK 34 70 100 48 2.8-4.2 1946/2.1=15, 1930/2.1=12...(14) HG2 LYS 90 - QD1 LEU 14 poor 10 90 40 29 4.6-7.8 7419/9943=10...(7) HG2 ARG 30 - QD1 LEU 42 far 0 99 0 - 8.0-9.3 QB ALA 67 - QD1 LEU 14 far 0 63 0 - 8.9-10.1 QB ALA 25 - QD1 LEU 14 far 0 60 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 1939 from cnoeabs.peaks (1.90, 0.69, 25.64 ppm; 3.33 A): 3 out of 17 assignments used, quality = 1.00: * HG LEU 42 + QD1 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 14 + QD1 LEU 14 OK 96 96 100 100 2.6-3.0 3.1=100 HB3 LYS 39 + QD1 LEU 42 OK 68 70 100 97 3.3-4.5 3.0/10570=53...(25) HB VAL 54 - QD1 LEU 42 far 5 99 5 - 4.8-6.5 HB2 GLU 43 - QD1 LEU 42 far 0 99 0 - 5.9-7.0 HB2 LYS 13 - QD1 LEU 14 far 0 86 0 - 6.2-6.4 HB3 LYS 66 - QD1 LEU 42 far 0 68 0 - 6.4-8.4 HB ILE 8 - QD1 LEU 14 far 0 97 0 - 6.7-7.3 HB3 LYS 68 - QD1 LEU 42 far 0 85 0 - 6.8-7.5 HB3 LYS 13 - QD1 LEU 14 far 0 88 0 - 7.2-7.3 HB3 ARG 19 - QD1 LEU 14 far 0 65 0 - 7.8-10.4 HB2 ARG 19 - QD1 LEU 14 far 0 96 0 - 8.0-10.0 HB ILE 8 - QD1 LEU 42 far 0 100 0 - 8.3-10.2 HB3 LYS 12 - QD1 LEU 14 far 0 71 0 - 8.5-8.9 HB VAL 5 - QD1 LEU 14 far 0 61 0 - 8.6-9.7 HB2 LYS 12 - QD1 LEU 14 far 0 67 0 - 8.7-8.9 HB2 LYS 20 - QD1 LEU 14 far 0 95 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1940 from cnoeabs.peaks (0.69, 0.69, 25.64 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 42 + QD1 LEU 42 OK 100 100 - 100 QD1 LEU 14 + QD1 LEU 14 OK 94 94 - 100 Peak 1941 from cnoeabs.peaks (0.77, 0.69, 25.64 ppm; 2.71 A): 4 out of 22 assignments used, quality = 1.00: * QD2 LEU 42 + QD1 LEU 42 OK 100 100 100 100 1.9-2.1 2.1=100 QD1 ILE 76 + QD1 LEU 42 OK 61 70 100 87 2.6-3.6 2.1/9667=27, ~10599=18...(30) QG1 VAL 78 + QD1 LEU 42 OK 56 91 100 62 2.3-4.0 10653/3.1=15...(17) QD1 LEU 6 + QD1 LEU 42 OK 26 100 60 43 3.4-5.9 6677/6676=7, 1933/2.1=5...(17) QG1 VAL 54 - QD1 LEU 42 far 15 100 15 - 3.8-5.4 QD1 ILE 15 - QD1 LEU 14 far 0 95 0 - 4.5-4.9 QG2 ILE 7 - QD1 LEU 14 far 0 67 0 - 4.7-5.1 QD1 ILE 93 - QD1 LEU 14 far 0 96 0 - 4.8-5.7 QD2 LEU 57 - QD1 LEU 14 far 0 72 0 - 5.1-5.7 HG13 ILE 15 - QD1 LEU 14 far 0 93 0 - 5.8-6.3 HG13 ILE 93 - QD1 LEU 14 far 0 82 0 - 6.5-8.0 QG2 ILE 8 - QD1 LEU 14 far 0 86 0 - 6.8-7.4 QG2 ILE 52 - QD1 LEU 42 far 0 98 0 - 7.0-9.5 QG2 ILE 8 - QD1 LEU 42 far 0 92 0 - 7.0-8.4 QG2 ILE 93 - QD1 LEU 14 far 0 90 0 - 7.4-8.2 QD1 LEU 64 - QD1 LEU 42 far 0 85 0 - 7.4-8.6 QD1 LEU 64 - QD1 LEU 14 far 0 79 0 - 7.8-8.9 QD2 LEU 57 - QD1 LEU 42 far 0 79 0 - 7.8-9.0 HG3 ARG 81 - QD1 LEU 14 far 0 76 0 - 8.4-9.8 QD1 LEU 6 - QD1 LEU 14 far 0 96 0 - 8.7-9.6 QG2 ILE 7 - QD1 LEU 42 far 0 73 0 - 8.9-10.0 QD1 LEU 27 - QD1 LEU 14 far 0 96 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 1943 from cnoeabs.peaks (7.96, 0.77, 21.93 ppm; 4.16 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.4-3.8 6675/2.1=93, 6676/2.1=84...(21) H LEU 70 - QD2 LEU 42 far 5 100 5 - 5.5-7.3 Violated in 0 structures by 0.00 A. Peak 1944 from cnoeabs.peaks (3.70, 0.77, 21.93 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.98: * HA LEU 42 + QD2 LEU 42 OK 98 100 100 98 2.2-2.7 4.0=49, 3.0/1943=35...(22) HA GLU 37 - QD2 LEU 42 far 0 100 0 - 6.7-8.4 HB THR 80 - QD2 LEU 42 far 0 85 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 1945 from cnoeabs.peaks (1.81, 0.77, 21.93 ppm; 3.41 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LEU 42 + QD2 LEU 42 OK 100 100 100 100 3.1-3.2 3.1=100 HB VAL 78 + QD2 LEU 42 OK 62 82 100 75 2.2-4.6 ~10653=12, 2.1/1948=12...(22) HB2 LYS 39 - QD2 LEU 42 far 0 99 0 - 5.3-7.2 HG2 ARG 46 - QD2 LEU 42 far 0 94 0 - 5.4-7.9 HG3 ARG 46 - QD2 LEU 42 far 0 92 0 - 5.7-8.6 HB2 LYS 68 - QD2 LEU 42 far 0 75 0 - 6.7-8.7 HB2 LYS 53 - QD2 LEU 42 far 0 70 0 - 7.5-10.1 HB3 LEU 57 - QD2 LEU 42 far 0 95 0 - 8.7-9.9 HB3 GLU 63 - QD2 LEU 42 far 0 79 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 1946 from cnoeabs.peaks (1.30, 0.77, 21.93 ppm; 3.53 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.0-2.5 3.1=100 QB ALA 67 + QD2 LEU 42 OK 35 70 100 50 3.1-4.6 1930/2.1=14, 2.1/8924=13...(11) HG2 ARG 30 - QD2 LEU 42 far 0 99 0 - 5.7-8.2 HB3 LEU 2 - QD2 LEU 42 far 0 77 0 - 9.2-11.9 HG LEU 3 - QD2 LEU 42 far 0 100 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 1947 from cnoeabs.peaks (1.90, 0.77, 21.93 ppm; 2.87 A): 2 out of 9 assignments used, quality = 1.00: * HG LEU 42 + QD2 LEU 42 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 54 + QD2 LEU 42 OK 53 99 85 63 2.5-4.8 2491=21, 2.1/2497=13...(16) HB3 LYS 39 - QD2 LEU 42 far 0 70 0 - 5.3-6.9 HB2 GLU 43 - QD2 LEU 42 far 0 99 0 - 6.9-7.7 HB3 LYS 68 - QD2 LEU 42 far 0 85 0 - 6.9-8.6 HB3 LYS 66 - QD2 LEU 42 far 0 68 0 - 7.3-9.4 HB VAL 5 - QD2 LEU 42 far 0 68 0 - 8.0-9.1 HB ILE 8 - QD2 LEU 42 far 0 100 0 - 8.2-9.7 HB3 LYS 47 - QD2 LEU 42 far 0 81 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1948 from cnoeabs.peaks (0.69, 0.77, 21.93 ppm; 2.40 A): 3 out of 12 assignments used, quality = 1.00: * QD1 LEU 42 + QD2 LEU 42 OK 100 100 100 100 1.9-2.1 2.1=100 QG2 VAL 54 + QD2 LEU 42 OK 27 70 75 52 2.3-4.4 2.1/1947=14...(15) QG2 VAL 78 + QD2 LEU 42 OK 26 71 90 40 2.5-4.1 2.1/1945=12, ~10653=5...(15) QD1 ILE 56 - QD2 LEU 42 poor 18 93 95 20 2.0-4.2 324=5, 1932/2.1=4...(7) QD2 LEU 6 - QD2 LEU 42 poor 14 100 35 40 2.8-4.3 223=8, 1932/2.1=5...(16) HG13 ILE 56 - QD2 LEU 42 lone 8 84 65 15 2.9-4.8 2.1/324=4, 10678/2.1=3...(5) QD1 ILE 52 - QD2 LEU 42 far 0 100 0 - 4.8-6.4 QD1 ILE 8 - QD2 LEU 42 far 0 91 0 - 4.9-6.2 QG1 VAL 58 - QD2 LEU 42 far 0 73 0 - 6.4-7.3 QG1 VAL 5 - QD2 LEU 42 far 0 61 0 - 6.4-7.6 QD1 LEU 29 - QD2 LEU 42 far 0 68 0 - 6.7-8.7 QG2 VAL 58 - QD2 LEU 42 far 0 98 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 1949 from cnoeabs.peaks (0.77, 0.77, 21.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 42 + QD2 LEU 42 OK 100 100 - 100 Peak 1950 from cnoeabs.peaks (8.19, 0.77, 21.93 ppm; 5.23 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 43 + QD2 LEU 42 OK 100 100 100 100 4.2-4.9 6690/2.1=91, 3.6/1944=91...(17) H LYS 68 - QD2 LEU 42 poor 16 100 40 40 5.7-7.2 3.6/1946=22...(3) H ASP 36 - QD2 LEU 42 far 0 99 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 1951 from cnoeabs.peaks (8.19, 3.88, 59.12 ppm; 3.53 A): 3 out of 9 assignments used, quality = 1.00: * H GLU 43 + HA GLU 43 OK 100 100 100 100 2.7-2.8 2.9=100 H ASP 36 + HA GLU 35 OK 97 97 100 100 3.5-3.6 3.6=97, 6558/3.0=55...(22) H GLU 43 + HA LYS 40 OK 79 82 100 96 3.2-3.7 6692=47, 10610/3.0=34...(19) H PHE 96 - HA ARG 91 far 0 91 0 - 6.5-7.2 H GLU 104 - HA ARG 91 far 0 86 0 - 7.0-17.8 H LYS 68 - HA GLU 35 far 0 97 0 - 7.1-7.8 H SER 97 - HA ARG 91 far 0 86 0 - 7.9-8.8 H ASP 36 - HA LYS 40 far 0 80 0 - 8.0-9.0 H GLU 43 - HA GLU 35 far 0 98 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 1952 from cnoeabs.peaks (3.88, 3.88, 59.12 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 43 + HA GLU 43 OK 100 100 - 100 HA ARG 91 + HA ARG 91 OK 99 99 - 100 HA GLU 35 + HA GLU 35 OK 98 98 - 100 HA LYS 40 + HA LYS 40 OK 72 72 - 100 Peak 1953 from cnoeabs.peaks (1.91, 3.88, 59.12 ppm; 3.13 A): 2 out of 18 assignments used, quality = 1.00: * HB2 GLU 43 + HA GLU 43 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 GLU 43 + HA LYS 40 OK 67 82 100 81 2.5-4.6 1961=39, 1.8/1969=21...(13) HB2 LYS 94 - HA ARG 91 poor 17 94 25 71 2.8-5.2 4184=25, 7513/7502=19...(13) HB3 GLU 104 - HA ARG 91 far 0 64 0 - 4.9-19.0 HG LEU 42 - HA LYS 40 far 0 79 0 - 4.9-6.6 HB VAL 32 - HA GLU 35 far 0 65 0 - 5.7-6.7 HG LEU 42 - HA GLU 43 far 0 99 0 - 5.7-6.5 HB3 LYS 47 - HA GLU 43 far 0 94 0 - 6.5-8.1 HG LEU 42 - HA GLU 35 far 0 96 0 - 7.1-8.6 HB2 GLU 17 - HA ARG 91 far 0 66 0 - 7.1-9.8 HB3 LYS 33 - HA GLU 35 far 0 96 0 - 7.7-8.1 HB ILE 8 - HA GLU 35 far 0 95 0 - 8.0-9.4 HB VAL 54 - HA GLU 43 far 0 91 0 - 8.2-10.3 HB2 LYS 33 - HA GLU 35 far 0 95 0 - 8.8-9.2 HG3 GLU 88 - HA ARG 91 far 0 62 0 - 9.0-9.5 HB3 LYS 68 - HA GLU 35 far 0 63 0 - 9.1-9.8 HB3 LYS 20 - HA ARG 91 far 0 79 0 - 9.6-12.0 HB3 LYS 47 - HA LYS 40 far 0 72 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 1954 from cnoeabs.peaks (2.06, 3.88, 59.12 ppm; 2.87 A): 4 out of 17 assignments used, quality = 1.00: * HB3 GLU 43 + HA GLU 43 OK 99 100 100 99 2.5-3.0 3.0=87, 6694/2.9=41...(34) HB3 GLU 35 + HA GLU 35 OK 90 92 100 98 2.2-3.0 3.0=87, 1541/3.0=28...(29) HB3 GLU 43 + HA LYS 40 OK 61 82 100 74 2.4-4.1 1969=25, 1.8/1961=24...(13) HB3 LEU 38 + HA GLU 35 OK 47 97 65 75 2.8-4.8 1634/12057=23, 1635=17...(22) QE MET 21 - HA ARG 91 poor 20 68 75 39 3.9-5.1 8539/3.0=10, 8543/9956=6...(14) HB2 MET 74 - HA GLU 43 poor 14 100 50 29 3.6-5.5 4.2/9610=10, 9664/4045=6...(6) HG3 GLU 104 - HA ARG 91 far 3 70 5 - 4.3-19.0 HB2 MET 21 - HA ARG 91 far 0 96 0 - 5.4-7.2 HG12 ILE 93 - HA ARG 91 far 0 80 0 - 6.6-7.9 HB2 MET 74 - HA LYS 40 far 0 82 0 - 6.8-8.7 HB3 LEU 38 - HA LYS 40 far 0 80 0 - 7.3-8.4 HB3 GLU 48 - HA GLU 43 far 0 95 0 - 7.6-10.8 HB3 GLU 88 - HA ARG 91 far 0 96 0 - 8.2-8.4 HB2 GLU 98 - HA ARG 91 far 0 90 0 - 8.7-10.8 HB3 LEU 38 - HA GLU 43 far 0 99 0 - 8.8-11.5 HB3 GLU 62 - HA GLU 35 far 0 82 0 - 9.2-11.4 HB3 GLU 35 - HA LYS 40 far 0 74 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1955 from cnoeabs.peaks (2.19, 3.88, 59.12 ppm; 3.17 A): 4 out of 16 assignments used, quality = 1.00: * HG2 GLU 43 + HA GLU 43 OK 99 100 100 99 2.4-3.8 3.7=64, 6695/2.9=40...(23) HG3 GLU 35 + HA GLU 35 OK 95 97 100 99 2.3-4.2 4.1=47, 2.9/4023=25...(35) HG2 GLU 35 + HA GLU 35 OK 95 97 100 99 2.8-3.8 4.1=47, 2.9/4023=25...(33) HG2 GLU 43 + HA LYS 40 OK 70 82 100 85 2.0-4.4 1.8/1985=22, 1978=22...(19) HB2 GLU 95 - HA ARG 91 far 0 94 0 - 4.9-7.0 HB2 GLU 63 - HA GLU 35 far 0 96 0 - 6.3-7.9 HB3 GLU 95 - HA ARG 91 far 0 75 0 - 6.5-8.6 HG3 GLU 75 - HA GLU 43 far 0 97 0 - 7.5-10.3 HG3 GLU 35 - HA LYS 40 far 0 80 0 - 8.2-10.8 HG2 GLU 35 - HA LYS 40 far 0 80 0 - 8.2-10.1 HG2 GLU 75 - HA GLU 43 far 0 96 0 - 8.4-11.6 HG3 PRO 86 - HA ARG 91 far 0 99 0 - 8.9-9.4 HB3 GLU 75 - HA GLU 43 far 0 100 0 - 8.9-10.4 HG2 GLU 98 - HA ARG 91 far 0 80 0 - 9.5-11.0 HG2 GLU 43 - HA GLU 35 far 0 98 0 - 9.6-10.9 HG2 GLU 99 - HA ARG 91 far 0 70 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 1956 from cnoeabs.peaks (2.32, 3.88, 59.12 ppm; 4.02 A): 2 out of 13 assignments used, quality = 1.00: * HG3 GLU 43 + HA GLU 43 OK 100 100 100 100 2.4-3.5 3.7=100 HG3 GLU 43 + HA LYS 40 OK 78 82 100 96 2.8-4.7 1985=37, 3.0/1961=32...(19) HG3 GLU 44 - HA LYS 40 poor 11 55 20 - 4.2-7.5 HG3 GLU 44 - HA GLU 43 far 4 75 5 - 5.4-7.1 HB2 TYR 41 - HA LYS 40 far 0 80 0 - 5.7-6.0 HB2 TYR 41 - HA GLU 43 far 0 99 0 - 7.6-7.9 HB2 TYR 41 - HA GLU 35 far 0 97 0 - 7.7-9.3 HG2 GLU 63 - HA GLU 35 far 0 78 0 - 7.9-10.0 HG2 GLU 48 - HA GLU 43 far 0 99 0 - 7.9-8.9 HB2 GLU 48 - HA GLU 43 far 0 87 0 - 8.7-10.8 HG3 GLU 69 - HA GLU 35 far 0 90 0 - 9.0-10.1 HB2 TYR 4 - HA GLU 43 far 0 75 0 - 9.7-11.2 HG3 GLU 43 - HA GLU 35 far 0 98 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 1957 from cnoeabs.peaks (7.60, 3.88, 59.12 ppm; 3.76 A): 3 out of 8 assignments used, quality = 1.00: * H GLU 44 + HA GLU 43 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 44 + HA LYS 40 OK 75 82 100 92 3.5-4.9 6700=45, 6704/6682=27...(16) H LYS 40 + HA LYS 40 OK 55 55 100 100 2.8-2.8 2.9=100 H LYS 40 - HA GLU 35 far 0 71 0 - 6.0-6.7 H GLU 48 - HA GLU 43 far 0 97 0 - 6.2-7.7 H LYS 40 - HA GLU 43 far 0 75 0 - 6.7-7.2 H GLU 88 - HA ARG 91 far 0 75 0 - 6.8-7.1 HE22 GLN 50 - HA GLU 43 far 0 90 0 - 8.4-15.8 Violated in 0 structures by 0.00 A. Peak 1958 from cnoeabs.peaks (8.02, 3.88, 59.12 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 46 + HA GLU 43 OK 99 100 100 99 2.9-3.4 6738=56, 6716/3.6=45...(19) H LYS 90 + HA ARG 91 OK 85 86 100 98 5.1-5.3 7431/3.0=70, 7453/3.6=56...(19) H ARG 46 - HA LYS 40 far 0 82 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 1959 from cnoeabs.peaks (1.97, 3.88, 59.12 ppm; 3.09 A): 5 out of 27 assignments used, quality = 1.00: * HB2 ARG 46 + HA GLU 43 OK 85 100 100 85 2.4-4.5 3.6/10171=26...(15) HB3 ARG 46 + HA GLU 43 OK 82 96 100 85 2.0-4.2 3.6/10171=26...(14) HB2 GLU 35 + HA GLU 35 OK 67 67 100 100 2.5-3.0 3.0=100 QE MET 74 + HA GLU 43 OK 67 82 95 86 3.1-4.8 9585/2.9=30...(20) HB3 MET 74 + HA GLU 43 OK 30 98 75 40 3.5-5.0 4.2/9610=12...(11) QE MET 74 - HA LYS 40 poor 20 61 55 59 3.5-5.3 9610=17, 9585/6682=13...(15) HB2 GLU 44 - HA LYS 40 far 0 62 0 - 4.8-7.7 HB2 LYS 47 - HA GLU 43 far 0 100 0 - 5.1-8.4 HB2 GLU 37 - HA GLU 35 far 0 98 0 - 5.5-7.2 HB3 GLU 44 - HA GLU 43 far 0 84 0 - 5.6-6.6 HB2 GLU 44 - HA GLU 43 far 0 84 0 - 5.6-6.6 HB VAL 32 - HA GLU 35 far 0 65 0 - 5.7-6.7 HB3 GLU 44 - HA LYS 40 far 0 62 0 - 5.8-8.2 QE MET 74 - HA GLU 35 far 0 78 0 - 6.4-8.3 HB3 MET 74 - HA LYS 40 far 0 78 0 - 6.9-9.0 HB2 GLU 17 - HA ARG 91 far 0 70 0 - 7.1-9.8 HB2 GLU 37 - HA LYS 40 far 0 82 0 - 7.2-7.8 HB3 GLU 17 - HA ARG 91 far 0 72 0 - 7.2-9.4 HB3 ARG 46 - HA LYS 40 far 0 75 0 - 7.3-9.7 HB2 ARG 46 - HA LYS 40 far 0 82 0 - 7.5-9.6 HB2 LYS 73 - HA GLU 43 far 0 95 0 - 8.1-9.6 HB2 LYS 47 - HA LYS 40 far 0 81 0 - 8.1-12.3 HB3 LYS 73 - HA GLU 43 far 0 94 0 - 8.9-10.5 HB2 LYS 73 - HA LYS 40 far 0 73 0 - 9.0-10.5 HG3 GLU 88 - HA ARG 91 far 0 73 0 - 9.0-9.5 HB3 LYS 24 - HA ARG 91 far 0 97 0 - 9.2-10.9 HB2 LYS 73 - HA GLU 35 far 0 91 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 1960 from cnoeabs.peaks (1.96, 3.88, 59.12 ppm; 3.23 A): 3 out of 22 assignments used, quality = 0.99: * HB3 ARG 46 + HA GLU 43 OK 89 100 100 89 2.0-4.2 3.6/10171=29...(15) HB2 ARG 46 + HA GLU 43 OK 85 96 100 88 2.4-4.5 3.6/10171=29...(14) HB3 MET 74 + HA GLU 43 OK 38 100 85 45 3.5-5.0 4.2/9610=13...(13) HB2 LYS 94 - HA ARG 91 poor 19 62 30 - 2.8-5.2 HB2 LYS 47 - HA GLU 43 far 0 99 0 - 5.1-8.4 HB2 GLU 37 - HA GLU 35 far 0 90 0 - 5.5-7.2 HB VAL 32 - HA GLU 35 far 0 89 0 - 5.7-6.7 HB3 LYS 47 - HA GLU 43 far 0 68 0 - 6.5-8.1 HB3 MET 74 - HA LYS 40 far 0 82 0 - 6.9-9.0 HB2 GLU 17 - HA ARG 91 far 0 92 0 - 7.1-9.8 HB2 GLU 37 - HA LYS 40 far 0 72 0 - 7.2-7.8 HB3 ARG 46 - HA LYS 40 far 0 82 0 - 7.3-9.7 HB2 ARG 46 - HA LYS 40 far 0 75 0 - 7.5-9.6 HB2 LYS 73 - HA GLU 43 far 0 100 0 - 8.1-9.6 HB2 LYS 47 - HA LYS 40 far 0 79 0 - 8.1-12.3 HB3 LYS 73 - HA GLU 43 far 0 100 0 - 8.9-10.5 HB2 LYS 73 - HA LYS 40 far 0 82 0 - 9.0-10.5 HG3 GLU 88 - HA ARG 91 far 0 94 0 - 9.0-9.5 HB3 LYS 24 - HA ARG 91 far 0 99 0 - 9.2-10.9 HB2 LYS 73 - HA GLU 35 far 0 98 0 - 9.2-10.6 HB3 LYS 20 - HA ARG 91 far 0 84 0 - 9.6-12.0 HB3 LYS 47 - HA LYS 40 far 0 48 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 1961 from cnoeabs.peaks (3.86, 1.91, 29.24 ppm; 3.26 A): 2 out of 10 assignments used, quality = 0.99: HA GLU 43 + HB2 GLU 43 OK 94 94 100 100 2.4-3.0 3.0=100 * HA LYS 40 + HB2 GLU 43 OK 87 100 100 87 2.5-4.6 1780=50, 1969/1.8=25...(13) HA LYS 12 - HB2 ARG 19 far 0 59 0 - 7.3-9.7 HA ALA 22 - HB3 ARG 19 far 0 23 0 - 7.7-8.6 HA ALA 22 - HB2 ARG 19 far 0 31 0 - 7.8-8.8 HA LYS 12 - HB3 ARG 19 far 0 45 0 - 8.0-9.6 HA ALA 71 - HB2 GLU 43 far 0 93 0 - 8.4-9.6 HA LEU 38 - HB2 GLU 43 far 0 99 0 - 8.7-10.4 HB3 SER 49 - HB2 GLU 43 far 0 99 0 - 8.7-13.1 HA ALA 89 - HB2 ARG 19 far 0 33 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 1962 from cnoeabs.peaks (8.19, 1.91, 29.24 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 43 + HB2 GLU 43 OK 100 100 100 100 2.5-3.6 6694/1.8=85, 4.0=73...(17) Violated in 0 structures by 0.00 A. Peak 1963 from cnoeabs.peaks (3.88, 1.91, 29.24 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 43 + HB2 GLU 43 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 40 + HB2 GLU 43 OK 83 94 100 88 2.5-4.6 1780=46, 1969/1.8=24...(14) HA LYS 12 - HB2 ARG 19 far 0 43 0 - 7.3-9.7 HA LYS 12 - HB3 ARG 19 far 0 32 0 - 8.0-9.6 HA ALA 71 - HB2 GLU 43 far 0 63 0 - 8.4-9.6 HA LEU 38 - HB2 GLU 43 far 0 99 0 - 8.7-10.4 HB3 SER 49 - HB2 GLU 43 far 0 84 0 - 8.7-13.1 HA ALA 89 - HB2 ARG 19 far 0 53 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 1964 from cnoeabs.peaks (1.91, 1.91, 29.24 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 43 + HB2 GLU 43 OK 100 100 - 100 HB2 ARG 19 + HB2 ARG 19 OK 57 57 - 100 HB3 ARG 19 + HB3 ARG 19 OK 36 36 - 100 Peak 1965 from cnoeabs.peaks (2.06, 1.91, 29.24 ppm; 2.66 A): 1 out of 18 assignments used, quality = 1.00: * HB3 GLU 43 + HB2 GLU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 16 - HB2 ARG 19 far 0 59 0 - 4.2-6.7 HB2 GLU 16 - HB3 ARG 19 far 0 45 0 - 4.6-7.1 HB2 GLU 23 - HB3 ARG 19 far 0 37 0 - 4.9-7.5 HB2 MET 74 - HB2 GLU 43 far 0 100 0 - 5.1-7.7 HB2 GLU 23 - HB2 ARG 19 far 0 50 0 - 5.3-8.8 HB2 MET 21 - HB2 ARG 19 far 0 57 0 - 6.7-8.3 HB2 MET 21 - HB3 ARG 19 far 0 43 0 - 7.1-8.5 HG2 GLU 28 - HB3 ARG 19 far 0 47 0 - 7.7-11.3 HG3 GLU 28 - HB3 ARG 19 far 0 47 0 - 7.8-11.2 HG12 ILE 93 - HB2 ARG 19 far 0 44 0 - 8.0-10.4 QE MET 21 - HB3 ARG 19 far 0 27 0 - 8.0-8.8 HG12 ILE 93 - HB3 ARG 19 far 0 33 0 - 8.0-10.2 QE MET 21 - HB2 ARG 19 far 0 36 0 - 8.0-8.7 HB3 GLU 48 - HB2 GLU 43 far 0 95 0 - 8.4-12.0 HG3 GLU 28 - HB2 ARG 19 far 0 62 0 - 8.8-12.2 HG2 GLU 28 - HB2 ARG 19 far 0 62 0 - 9.1-11.9 HB3 LEU 38 - HB2 GLU 43 far 0 99 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 1966 from cnoeabs.peaks (2.19, 1.91, 29.24 ppm; 3.43 A): 1 out of 6 assignments used, quality = 1.00: * HG2 GLU 43 + HB2 GLU 43 OK 100 100 100 100 2.7-2.9 3.0=100 HB3 GLU 16 - HB2 ARG 19 poor 16 49 45 73 4.2-7.6 3.0/733=21, ~798=14...(13) HB3 GLU 23 - HB3 ARG 19 poor 8 26 30 - 4.6-6.1 HB3 GLU 23 - HB2 ARG 19 far 3 35 10 - 4.5-7.7 HB3 GLU 16 - HB3 ARG 19 far 0 36 0 - 5.2-7.2 HG3 GLU 75 - HB2 GLU 43 far 0 97 0 - 9.2-12.3 Violated in 0 structures by 0.00 A. Peak 1967 from cnoeabs.peaks (2.32, 1.91, 29.24 ppm; 3.56 A): 1 out of 8 assignments used, quality = 1.00: * HG3 GLU 43 + HB2 GLU 43 OK 100 100 100 100 2.2-2.9 3.0=100 HG2 GLU 16 - HB2 ARG 19 poor 18 55 80 40 4.6-7.0 4.1/733=16, 6239/8475=11...(5) HG3 GLU 44 - HB2 GLU 43 far 11 75 15 - 4.4-6.7 HG3 GLU 16 - HB2 ARG 19 far 2 48 5 - 5.0-8.4 HG2 GLU 16 - HB3 ARG 19 far 2 42 5 - 4.8-7.3 HG3 GLU 16 - HB3 ARG 19 far 0 36 0 - 6.2-7.9 HB2 TYR 41 - HB2 GLU 43 far 0 99 0 - 7.0-8.6 HG2 GLU 48 - HB2 GLU 43 far 0 99 0 - 8.8-10.5 Violated in 0 structures by 0.00 A. Peak 1968 from cnoeabs.peaks (7.60, 1.91, 29.24 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 43 OK 100 100 100 100 2.4-3.7 6706=100, 6707/1.8=90...(10) H LYS 40 - HB2 GLU 43 far 4 75 5 - 5.0-7.1 H LYS 24 - HB3 ARG 19 far 0 32 0 - 6.9-8.3 H LYS 24 - HB2 ARG 19 far 0 43 0 - 6.9-8.8 H GLU 48 - HB2 GLU 43 far 0 97 0 - 7.0-8.6 HE22 GLN 50 - HB2 GLU 43 far 0 90 0 - 9.8-17.2 Violated in 0 structures by 0.00 A. Peak 1969 from cnoeabs.peaks (3.86, 2.06, 29.24 ppm; 3.07 A): 3 out of 34 assignments used, quality = 1.00: HA GLU 43 + HB3 GLU 43 OK 94 94 100 100 2.5-3.0 3.0=100 * HA LYS 40 + HB3 GLU 43 OK 83 100 100 83 2.4-4.1 1780/1.8=34, 1781=29...(15) HA GLU 35 + HB3 GLU 35 OK 71 71 100 100 2.2-3.0 3.0=100 HB2 SER 102 - HB3 GLU 99 poor 17 41 40 - 2.1-9.6 HA2 GLY 101 - HB2 GLU 99 far 8 76 10 - 4.3-7.0 HA LYS 12 - HB2 GLU 16 far 5 94 5 - 4.5-7.0 HA ALA 67 - HB3 GLU 35 far 4 82 5 - 4.2-7.4 HA2 GLY 101 - HB3 GLU 99 far 3 61 5 - 4.1-7.8 HA2 GLY 100 - HB3 GLU 99 far 3 61 5 - 4.3-6.2 HA3 GLY 101 - HB2 GLU 99 far 3 54 5 - 4.3-7.5 HA3 GLY 101 - HB3 GLU 99 far 2 42 5 - 4.6-7.8 HB2 SER 102 - HB2 GLU 99 lone 1 53 55 3 2.0-8.6 4.0/12267=2 HA2 GLY 100 - HB2 GLU 99 far 0 76 0 - 4.6-5.8 HA LYS 94 - HB2 GLU 98 far 0 81 0 - 4.9-6.7 HA ALA 22 - HB2 GLU 23 far 0 40 0 - 5.8-6.6 HA LYS 94 - HB3 GLU 98 far 0 79 0 - 6.0-7.7 HA2 GLY 100 - HB2 GLU 98 far 0 81 0 - 6.5-7.3 HA LEU 38 - HB3 GLU 35 far 0 83 0 - 6.6-8.4 HA2 GLY 100 - HB3 GLU 98 far 0 79 0 - 6.7-7.9 HB2 SER 102 - HB2 GLU 98 far 0 57 0 - 6.9-11.9 HA LYS 94 - HB3 GLU 99 far 0 61 0 - 7.3-9.8 HA LYS 94 - HB2 GLU 99 far 0 76 0 - 7.4-10.1 HA LEU 38 - HB3 GLU 43 far 0 99 0 - 7.8-10.2 HA ALA 71 - HB3 GLU 43 far 0 93 0 - 8.0-9.4 HB2 SER 102 - HB3 GLU 98 far 0 55 0 - 8.0-12.8 HA2 GLY 101 - HB2 GLU 98 far 0 81 0 - 8.2-10.5 HA3 GLY 101 - HB2 GLU 98 far 0 58 0 - 8.3-10.2 HA2 GLY 101 - HB3 GLU 98 far 0 79 0 - 8.4-11.4 HA ARG 91 - HB2 GLU 98 far 0 65 0 - 8.7-10.8 HA ALA 71 - HB3 GLU 35 far 0 74 0 - 8.9-11.5 HB3 SER 49 - HB3 GLU 43 far 0 99 0 - 9.4-13.3 HA3 GLY 101 - HB3 GLU 98 far 0 57 0 - 9.5-10.9 HA LYS 40 - HB3 GLU 35 far 0 85 0 - 9.5-11.1 HA ALA 22 - HB2 GLU 98 far 0 43 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 1970 from cnoeabs.peaks (8.19, 2.06, 29.24 ppm; 3.34 A): 2 out of 16 assignments used, quality = 1.00: * H GLU 43 + HB3 GLU 43 OK 100 100 100 100 2.4-3.6 6694=100, 1962/1.8=63...(17) H ASP 36 + HB3 GLU 35 OK 80 83 100 96 2.7-4.2 6558/1.8=67, 6559=44...(15) H SER 97 - HB2 GLU 98 poor 17 65 35 74 4.6-5.2 7579/4.0=31, 7580/4.6=18...(11) H PHE 96 - HB2 GLU 99 far 7 65 10 - 4.4-7.0 H SER 97 - HB2 GLU 99 far 3 61 5 - 4.5-7.3 H PHE 96 - HB3 GLU 99 far 3 52 5 - 4.8-6.9 H SER 97 - HB3 GLU 99 far 2 48 5 - 4.7-7.2 H GLU 104 - HB2 GLU 99 far 0 61 0 - 5.0-10.2 H PHE 96 - HB2 GLU 98 far 0 70 0 - 5.2-5.8 H SER 97 - HB3 GLU 98 far 0 63 0 - 5.9-6.4 H GLU 104 - HB3 GLU 99 far 0 48 0 - 6.2-10.9 H HIS 106 - HB2 GLU 99 far 0 38 0 - 6.5-16.8 H HIS 106 - HB3 GLU 99 far 0 29 0 - 6.6-16.1 H PHE 96 - HB3 GLU 98 far 0 68 0 - 6.8-7.4 H LYS 68 - HB3 GLU 35 far 0 84 0 - 6.9-9.8 H GLU 104 - HB2 GLU 98 far 0 65 0 - 8.9-15.2 Violated in 0 structures by 0.00 A. Peak 1971 from cnoeabs.peaks (3.88, 2.06, 29.24 ppm; 3.15 A): 3 out of 33 assignments used, quality = 1.00: * HA GLU 43 + HB3 GLU 43 OK 100 100 100 100 2.5-3.0 3.0=100 HA GLU 35 + HB3 GLU 35 OK 85 85 100 100 2.2-3.0 3.0=100 HA LYS 40 + HB3 GLU 43 OK 78 94 100 83 2.4-4.1 1780/1.8=32, 1781=27...(14) HA2 GLY 101 - HB2 GLU 99 far 7 67 10 - 4.3-7.0 HA2 GLY 100 - HB3 GLU 99 far 5 54 10 - 4.3-6.2 HA LYS 12 - HB2 GLU 16 far 4 74 5 - 4.5-7.0 HA3 GLY 101 - HB2 GLU 99 far 4 73 5 - 4.3-7.5 HA ALA 67 - HB3 GLU 35 far 3 61 5 - 4.2-7.4 HA3 GLY 101 - HB3 GLU 99 far 3 59 5 - 4.6-7.8 HA2 GLY 101 - HB3 GLU 99 far 3 54 5 - 4.1-7.8 HB2 SER 102 - HB2 GLU 99 lone 1 72 55 3 2.0-8.6 4.0/12267=3 HB2 SER 102 - HB3 GLU 99 lone 1 58 45 3 2.1-9.6 4.0/12267=3 HA2 GLY 100 - HB2 GLU 99 far 0 67 0 - 4.6-5.8 HA LYS 94 - HB2 GLU 98 far 0 72 0 - 4.9-6.7 HA GLU 63 - HB3 GLU 35 far 0 57 0 - 5.5-8.7 HA LYS 94 - HB3 GLU 98 far 0 70 0 - 6.0-7.7 HA2 GLY 100 - HB2 GLU 98 far 0 72 0 - 6.5-7.3 HA LEU 38 - HB3 GLU 35 far 0 83 0 - 6.6-8.4 HA2 GLY 100 - HB3 GLU 98 far 0 70 0 - 6.7-7.9 HB2 SER 102 - HB2 GLU 98 far 0 77 0 - 6.9-11.9 HA LYS 94 - HB3 GLU 99 far 0 54 0 - 7.3-9.8 HA LYS 94 - HB2 GLU 99 far 0 67 0 - 7.4-10.1 HA LEU 38 - HB3 GLU 43 far 0 99 0 - 7.8-10.2 HA ALA 71 - HB3 GLU 43 far 0 63 0 - 8.0-9.4 HB2 SER 102 - HB3 GLU 98 far 0 75 0 - 8.0-12.8 HA2 GLY 101 - HB2 GLU 98 far 0 72 0 - 8.2-10.5 HA3 GLY 101 - HB2 GLU 98 far 0 78 0 - 8.3-10.2 HA2 GLY 101 - HB3 GLU 98 far 0 70 0 - 8.4-11.4 HA ARG 91 - HB2 GLU 98 far 0 80 0 - 8.7-10.8 HA ALA 71 - HB3 GLU 35 far 0 48 0 - 8.9-11.5 HB3 SER 49 - HB3 GLU 43 far 0 84 0 - 9.4-13.3 HA3 GLY 101 - HB3 GLU 98 far 0 76 0 - 9.5-10.9 HA LYS 40 - HB3 GLU 35 far 0 75 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 1972 from cnoeabs.peaks (1.91, 2.06, 29.24 ppm; 2.67 A): 1 out of 35 assignments used, quality = 1.00: * HB2 GLU 43 + HB3 GLU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ARG 19 - HB2 GLU 16 far 0 91 0 - 4.2-6.7 HB3 ARG 19 - HB2 GLU 16 far 0 81 0 - 4.6-7.1 HB2 LYS 20 - HB2 GLU 23 far 0 68 0 - 4.6-6.8 HB2 GLU 17 - HB2 GLU 16 far 0 61 0 - 4.7-6.1 HB3 LYS 20 - HB2 GLU 23 far 0 54 0 - 4.9-6.8 HB3 ARG 19 - HB2 GLU 23 far 0 61 0 - 4.9-7.5 HB3 LYS 12 - HB2 GLU 16 far 0 51 0 - 5.1-8.1 HB2 LYS 13 - HB2 GLU 16 far 0 94 0 - 5.2-7.3 HB2 ARG 19 - HB2 GLU 23 far 0 70 0 - 5.3-8.8 HB2 LYS 20 - HB2 GLU 16 far 0 88 0 - 5.3-7.6 HB3 LYS 13 - HB2 GLU 16 far 0 95 0 - 5.5-7.4 HB2 LYS 94 - HB2 GLU 98 far 0 73 0 - 5.5-7.4 HG LEU 42 - HB3 GLU 43 far 0 99 0 - 5.9-7.8 HB3 GLU 104 - HB2 GLU 99 far 0 42 0 - 6.4-12.7 HB3 LYS 20 - HB2 GLU 16 far 0 74 0 - 6.6-8.3 HB2 LYS 94 - HB3 GLU 98 far 0 71 0 - 6.7-8.6 HB3 LEU 14 - HB2 GLU 16 far 0 96 0 - 6.7-8.6 HB3 LYS 47 - HB3 GLU 43 far 0 94 0 - 7.4-8.5 HB3 GLU 104 - HB3 GLU 99 far 0 33 0 - 7.4-13.3 HB VAL 32 - HB3 GLU 35 far 0 53 0 - 7.7-9.3 HG LEU 42 - HB3 GLU 35 far 0 82 0 - 7.9-10.3 HB3 GLU 104 - HB2 GLU 98 far 0 46 0 - 8.0-17.4 HB2 LYS 94 - HB2 GLU 99 far 0 68 0 - 8.0-11.3 HB2 LYS 94 - HB3 GLU 99 far 0 55 0 - 8.1-11.2 HB3 LYS 68 - HB3 GLU 35 far 0 51 0 - 8.7-11.5 HB2 MET 1 - HB3 GLU 99 far 0 34 0 - 8.8-12.9 HB3 LYS 33 - HB3 GLU 35 far 0 83 0 - 8.8-9.9 HB2 MET 1 - HB3 GLU 98 far 0 46 0 - 8.9-13.4 HB2 MET 1 - HB2 GLU 99 far 0 44 0 - 8.9-12.4 HB ILE 8 - HB3 GLU 35 far 0 82 0 - 9.3-11.6 HB2 MET 1 - HB2 GLU 98 far 0 48 0 - 9.5-13.7 HB3 GLU 104 - HB3 GLU 98 far 0 44 0 - 9.6-18.7 HB2 LYS 33 - HB3 GLU 35 far 0 82 0 - 9.8-11.1 HB VAL 54 - HB3 GLU 43 far 0 91 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 1973 from cnoeabs.peaks (2.06, 2.06, 29.24 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HB3 GLU 43 + HB3 GLU 43 OK 100 100 - 100 HB2 GLU 16 + HB2 GLU 16 OK 93 93 - 100 HB3 GLU 35 + HB3 GLU 35 OK 77 77 - 100 HB2 GLU 98 + HB2 GLU 98 OK 69 69 - 100 HB3 GLU 98 + HB3 GLU 98 OK 66 66 - 100 HB2 GLU 99 + HB2 GLU 99 OK 63 63 - 100 HB2 GLU 23 + HB2 GLU 23 OK 62 62 - 100 HB3 GLU 99 + HB3 GLU 99 OK 44 44 - 100 Peak 1974 from cnoeabs.peaks (2.19, 2.06, 29.24 ppm; 2.40 A): 9 out of 29 assignments used, quality = 1.00: HB3 GLU 16 + HB2 GLU 16 OK 81 81 100 100 1.8-1.8 1.8=100 * HG2 GLU 43 + HB3 GLU 43 OK 77 100 100 77 2.2-2.7 3.0=51, 6695/6694=20...(14) HG3 GLU 35 + HB3 GLU 35 OK 73 83 100 87 2.3-3.0 2.9=54, 1.8/1551=19...(22) HG2 GLU 35 + HB3 GLU 35 OK 72 83 100 87 2.3-3.0 2.9=54, 1.8/1551=19...(22) HB3 GLU 23 + HB2 GLU 23 OK 44 44 100 100 1.8-1.8 1.8=100 HG2 GLU 98 + HB2 GLU 98 OK 44 60 100 74 2.6-3.0 3.0=51, 4365/3.0=17...(11) HG2 GLU 98 + HB3 GLU 98 OK 43 58 100 73 2.3-2.6 3.0=51, 4365/3.0=17...(10) HG2 GLU 99 + HB2 GLU 99 OK 36 47 100 77 2.2-3.0 3.0=53, 1.8/2254=12...(14) HG2 GLU 99 + HB3 GLU 99 OK 28 37 100 77 2.3-3.0 3.0=53, 1.8/2254=11...(14) HG2 GLU 99 - HB2 GLU 98 far 8 51 15 - 2.9-7.2 HB3 GLU 95 - HB3 GLU 99 far 2 40 5 - 3.5-5.8 HG2 GLU 99 - HB3 GLU 98 far 0 49 0 - 3.9-8.4 HB3 GLU 95 - HB2 GLU 99 far 0 51 0 - 4.1-6.1 HB3 GLU 95 - HB2 GLU 98 far 0 55 0 - 4.7-5.7 HB2 GLU 95 - HB3 GLU 99 far 0 55 0 - 5.2-7.5 HB2 GLU 95 - HB2 GLU 98 far 0 73 0 - 5.4-6.6 HB2 GLU 95 - HB2 GLU 99 far 0 68 0 - 5.5-7.5 HB3 GLU 95 - HB3 GLU 98 far 0 54 0 - 6.3-7.4 HG2 GLU 98 - HB2 GLU 99 far 0 56 0 - 6.6-8.4 HG2 GLU 98 - HB3 GLU 99 far 0 44 0 - 6.6-8.1 HB2 GLU 63 - HB3 GLU 35 far 0 83 0 - 6.9-9.9 HB2 GLU 95 - HB3 GLU 98 far 0 71 0 - 7.0-8.3 HG3 PRO 86 - HB2 GLU 16 far 0 95 0 - 8.6-10.9 HG2 MET 1 - HB2 GLU 99 far 0 73 0 - 8.6-11.7 HG2 MET 1 - HB3 GLU 99 far 0 59 0 - 8.7-12.8 HB3 GLU 23 - HB2 GLU 16 far 0 61 0 - 9.2-11.9 HB3 GLU 16 - HB2 GLU 23 far 0 61 0 - 9.2-12.6 HG2 GLU 43 - HB3 GLU 35 far 0 85 0 - 9.7-12.3 HG2 MET 1 - HB3 GLU 98 far 0 76 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1975 from cnoeabs.peaks (2.32, 2.06, 29.24 ppm; 2.75 A): 3 out of 9 assignments used, quality = 1.00: * HG3 GLU 43 + HB3 GLU 43 OK 95 100 100 95 2.7-2.9 3.0=77, 6696/6694=30...(21) HG2 GLU 16 + HB2 GLU 16 OK 88 89 100 98 2.3-3.0 3.0=76, 6239/6237=28...(24) HG3 GLU 16 + HB2 GLU 16 OK 78 80 100 97 2.2-2.8 3.0=76, 1.8/713=27...(23) HG3 GLU 44 - HB3 GLU 43 far 4 75 5 - 3.3-5.6 HB2 TYR 41 - HB3 GLU 43 far 0 99 0 - 6.6-8.6 HG2 GLU 63 - HB3 GLU 35 far 0 64 0 - 7.8-11.7 HG3 GLU 69 - HB3 GLU 35 far 0 75 0 - 7.9-10.8 HG2 GLU 48 - HB3 GLU 43 far 0 99 0 - 9.1-11.1 HB2 TYR 41 - HB3 GLU 35 far 0 83 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 1976 from cnoeabs.peaks (7.60, 2.06, 29.24 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 44 + HB3 GLU 43 OK 100 100 100 100 2.4-3.4 6707=100, 6706/1.8=67...(13) H LYS 24 + HB2 GLU 23 OK 51 54 100 94 3.0-4.1 4.6=40, 6377/3.0=38...(14) H LYS 40 - HB3 GLU 43 far 4 75 5 - 4.8-6.6 H LYS 40 - HB3 GLU 35 far 0 57 0 - 7.0-8.4 H GLU 48 - HB3 GLU 43 far 0 97 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 1977 from cnoeabs.peaks (8.19, 2.19, 36.31 ppm; 3.66 A): 3 out of 11 assignments used, quality = 1.00: * H GLU 43 + HG2 GLU 43 OK 100 100 100 100 2.7-3.2 6695=88, 6696/1.8=76...(19) H ASP 36 + HG2 GLU 35 OK 93 95 100 98 2.0-4.6 6558/2.9=59, 6560=45...(20) H ASP 36 + HG3 GLU 35 OK 93 95 100 98 2.7-5.1 6558/2.9=59, 6561=45...(20) H SER 97 - HG2 GLU 98 far 3 33 10 - 4.7-6.4 H LYS 68 - HG3 GLU 35 far 0 96 0 - 6.0-10.5 H PHE 96 - HG2 GLU 98 far 0 35 0 - 6.2-7.4 H LYS 68 - HG2 GLU 35 far 0 96 0 - 7.3-11.1 H ASP 36 - HG2 GLU 43 far 0 99 0 - 8.9-11.4 H GLU 43 - HG3 GLU 35 far 0 97 0 - 9.2-11.9 H GLU 43 - HG2 GLU 35 far 0 97 0 - 9.3-11.9 H GLU 43 - HG3 GLU 75 far 0 49 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 1978 from cnoeabs.peaks (3.88, 2.19, 36.31 ppm; 3.16 A): 4 out of 29 assignments used, quality = 1.00: * HA GLU 43 + HG2 GLU 43 OK 99 100 100 99 2.4-3.8 3.7=64, 2.9/6695=40...(23) HA GLU 35 + HG3 GLU 35 OK 95 96 100 99 2.3-4.2 4.1=47, 4023/2.9=25...(35) HA GLU 35 + HG2 GLU 35 OK 95 96 100 98 2.8-3.8 4.1=47, 4023/2.9=25...(33) HA LYS 40 + HG2 GLU 43 OK 79 94 100 85 2.0-4.4 1780/3.0=23, 1985/1.8=22...(19) HA ALA 67 - HG3 GLU 35 far 11 73 15 - 3.8-8.4 HA LYS 94 - HG2 GLU 98 far 2 37 5 - 4.5-6.2 HA ALA 67 - HG2 GLU 35 far 0 73 0 - 4.7-8.6 HA ALA 71 - HG2 GLU 43 far 0 63 0 - 6.1-8.7 HA LEU 38 - HG3 GLU 35 far 0 95 0 - 6.1-9.7 HA LEU 38 - HG2 GLU 35 far 0 95 0 - 6.1-8.9 HA GLU 63 - HG3 GLU 35 far 0 69 0 - 6.2-9.9 HB3 SER 49 - HG3 GLU 75 far 0 35 0 - 6.7-15.9 HA ALA 71 - HG3 GLU 75 far 0 25 0 - 6.8-8.2 HA2 GLY 100 - HG2 GLU 98 far 0 37 0 - 7.4-8.8 HA GLU 43 - HG3 GLU 75 far 0 49 0 - 7.5-10.3 HA ALA 71 - HG2 GLU 75 far 0 23 0 - 7.5-8.7 HB3 SER 49 - HG2 GLU 75 far 0 33 0 - 7.6-15.9 HA GLU 63 - HG2 GLU 35 far 0 69 0 - 7.7-10.3 HA LEU 38 - HG2 GLU 43 far 0 99 0 - 7.8-8.7 HA LYS 40 - HG3 GLU 35 far 0 88 0 - 8.2-10.8 HA LYS 40 - HG2 GLU 35 far 0 88 0 - 8.2-10.1 HA ALA 71 - HG3 GLU 35 far 0 58 0 - 8.2-11.3 HA GLU 43 - HG2 GLU 75 far 0 46 0 - 8.4-11.6 HA ALA 71 - HG2 GLU 35 far 0 58 0 - 8.8-11.9 HA ALA 67 - HG2 GLU 43 far 0 79 0 - 9.4-11.3 HA ARG 91 - HG2 GLU 98 far 0 42 0 - 9.5-11.0 HA2 GLY 101 - HG2 GLU 98 far 0 37 0 - 9.5-12.5 HA GLU 35 - HG2 GLU 43 far 0 100 0 - 9.6-10.9 HB2 SER 102 - HG2 GLU 98 far 0 40 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 1979 from cnoeabs.peaks (1.91, 2.19, 36.31 ppm; 3.46 A): 1 out of 18 assignments used, quality = 1.00: * HB2 GLU 43 + HG2 GLU 43 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 LYS 94 - HG2 GLU 98 far 0 37 0 - 5.1-7.1 HG LEU 42 - HG2 GLU 43 far 0 99 0 - 5.4-6.9 HG LEU 42 - HG2 GLU 35 far 0 94 0 - 7.3-11.1 HG LEU 42 - HG3 GLU 35 far 0 94 0 - 7.4-11.4 HB VAL 32 - HG3 GLU 35 far 0 64 0 - 7.7-10.7 HB3 LYS 68 - HG3 GLU 35 far 0 62 0 - 7.7-12.3 HB3 LYS 33 - HG2 GLU 35 far 0 95 0 - 8.3-10.7 HB VAL 32 - HG2 GLU 35 far 0 64 0 - 8.4-9.8 HB3 LYS 47 - HG2 GLU 43 far 0 94 0 - 8.8-10.4 HB3 LYS 68 - HG2 GLU 35 far 0 62 0 - 8.9-13.0 HB2 MET 1 - HG2 GLU 98 far 0 23 0 - 9.0-14.1 HB2 GLU 43 - HG3 GLU 75 far 0 49 0 - 9.2-12.3 HB3 LYS 33 - HG3 GLU 35 far 0 95 0 - 9.4-10.5 HB ILE 8 - HG3 GLU 35 far 0 94 0 - 9.6-13.4 HB3 GLU 104 - HG2 GLU 98 far 0 22 0 - 9.7-20.2 HB VAL 54 - HG2 GLU 43 far 0 91 0 - 9.8-12.3 HB2 LYS 33 - HG2 GLU 35 far 0 94 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 1980 from cnoeabs.peaks (2.06, 2.19, 36.31 ppm; 2.51 A): 5 out of 20 assignments used, quality = 1.00: * HB3 GLU 43 + HG2 GLU 43 OK 85 100 100 85 2.2-2.7 3.0=59, 700/1.8=23...(17) HB3 GLU 35 + HG3 GLU 35 OK 83 90 100 92 2.3-3.0 2.9=63, 1.8/1539=24...(25) HB3 GLU 35 + HG2 GLU 35 OK 82 90 100 92 2.3-3.0 2.9=63, 1.8/1538=24...(24) HB2 GLU 98 + HG2 GLU 98 OK 28 35 100 80 2.6-3.0 3.0=58, 3.0/4365=22...(11) HB3 GLU 98 + HG2 GLU 98 OK 27 34 100 80 2.3-2.6 3.0=58, 3.0/4365=22...(10) HB2 MET 74 - HG2 GLU 43 far 5 100 5 - 2.9-7.5 HB3 LEU 38 - HG3 GLU 35 far 5 95 5 - 3.9-8.7 HB3 LEU 38 - HG2 GLU 35 far 0 95 0 - 4.2-8.1 HB2 MET 74 - HG3 GLU 75 far 0 49 0 - 5.1-6.2 HB2 MET 74 - HG2 GLU 75 far 0 46 0 - 5.3-7.8 QE MET 21 - HG2 GLU 98 far 0 24 0 - 6.0-8.0 HB2 GLU 99 - HG2 GLU 98 far 0 34 0 - 6.6-8.4 HB3 GLU 99 - HG2 GLU 98 far 0 29 0 - 6.6-8.1 HB3 LEU 38 - HG2 GLU 43 far 0 99 0 - 7.5-10.0 HB3 GLU 62 - HG3 GLU 35 far 0 81 0 - 8.0-13.5 HB2 MET 74 - HG2 GLU 35 far 0 97 0 - 9.1-13.9 HB2 MET 21 - HG2 GLU 98 far 0 39 0 - 9.2-12.3 HB2 MET 74 - HG3 GLU 35 far 0 97 0 - 9.4-13.6 HB3 GLU 35 - HG2 GLU 43 far 0 96 0 - 9.7-12.3 HB3 GLU 62 - HG2 GLU 35 far 0 81 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 1981 from cnoeabs.peaks (2.19, 2.19, 36.31 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG2 GLU 43 + HG2 GLU 43 OK 100 100 - 100 HG2 GLU 35 + HG2 GLU 35 OK 95 95 - 100 HG3 GLU 35 + HG3 GLU 35 OK 95 95 - 100 HG3 GLU 75 + HG3 GLU 75 OK 45 45 - 100 HG2 GLU 75 + HG2 GLU 75 OK 41 41 - 100 HG2 GLU 98 + HG2 GLU 98 OK 29 29 - 100 Peak 1982 from cnoeabs.peaks (2.32, 2.19, 36.31 ppm; 2.67 A): 1 out of 12 assignments used, quality = 1.00: * HG3 GLU 43 + HG2 GLU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 - HG2 GLU 43 far 0 75 0 - 5.4-7.8 HB2 TYR 41 - HG2 GLU 43 far 0 99 0 - 6.9-7.8 HG3 GLU 69 - HG3 GLU 35 far 0 88 0 - 7.1-11.2 HG3 GLU 69 - HG2 GLU 35 far 0 88 0 - 7.8-12.0 HG3 GLU 43 - HG2 GLU 35 far 0 97 0 - 8.3-11.3 HG3 GLU 43 - HG3 GLU 75 far 0 49 0 - 8.4-10.6 HB2 TYR 41 - HG2 GLU 35 far 0 95 0 - 8.7-11.7 HG3 GLU 43 - HG3 GLU 35 far 0 97 0 - 8.8-11.0 HG3 GLU 43 - HG2 GLU 75 far 0 46 0 - 9.0-12.1 HG2 GLU 63 - HG3 GLU 35 far 0 76 0 - 9.0-12.8 HB2 TYR 41 - HG3 GLU 35 far 0 95 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 1983 from cnoeabs.peaks (7.60, 2.19, 36.31 ppm; 4.37 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 43 OK 100 100 100 100 4.5-4.7 6707/3.0=80, 6706/3.0=76...(13) H LYS 40 + HG2 GLU 43 OK 74 75 100 98 3.9-5.8 1990/1.8=29...(27) H LYS 40 - HG2 GLU 35 far 7 69 10 - 5.7-7.7 H LYS 40 - HG3 GLU 35 far 7 69 10 - 5.8-8.3 H GLU 48 - HG2 GLU 43 far 0 97 0 - 9.4-11.0 H LYS 24 - HG2 GLU 98 far 0 29 0 - 9.7-12.3 Violated in 1 structures by 0.00 A. Peak 1984 from cnoeabs.peaks (8.19, 2.32, 36.31 ppm; 3.78 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.1-2.6 6696=100, 6695/1.8=73...(25) H LYS 68 + HG3 GLU 69 OK 36 43 95 89 4.4-6.9 7122/7136=51...(11) H LYS 68 - HG2 GLU 63 far 0 41 0 - 7.9-9.2 H ASP 36 - HG3 GLU 43 far 0 99 0 - 9.7-10.9 H HIS 106 - HG3 GLU 69 far 0 20 0 - 9.9-23.9 Violated in 0 structures by 0.00 A. Peak 1985 from cnoeabs.peaks (3.88, 2.32, 36.31 ppm; 3.52 A): 3 out of 17 assignments used, quality = 1.00: * HA GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.4-3.5 3.7=88, 2.9/6696=54...(34) HA LYS 40 + HG3 GLU 43 OK 86 94 100 91 2.8-4.7 1956=29, 1780/3.0=28...(19) HA GLU 63 + HG2 GLU 63 OK 26 26 100 98 3.0-3.5 3.8=76, 2767/1.8=44...(16) HA LYS 12 - HG2 GLU 16 poor 11 44 95 27 3.7-7.4 6225/6239=15...(4) HA LYS 12 - HG3 GLU 16 poor 10 33 95 32 3.6-6.3 6225/6240=13...(7) HA ALA 71 - HG3 GLU 43 far 0 63 0 - 5.7-7.1 HA ALA 67 - HG3 GLU 69 far 0 29 0 - 6.5-8.0 HA LEU 38 - HG3 GLU 43 far 0 99 0 - 7.8-8.2 HA GLU 35 - HG2 GLU 63 far 0 42 0 - 7.9-10.0 HA ALA 71 - HG3 GLU 69 far 0 22 0 - 8.0-9.4 HA GLU 63 - HG3 GLU 69 far 0 27 0 - 8.1-10.5 HA ALA 67 - HG2 GLU 63 far 0 28 0 - 8.4-10.5 HB3 SER 49 - HG3 GLU 43 far 0 84 0 - 8.9-14.2 HA ALA 67 - HG3 GLU 43 far 0 79 0 - 8.9-10.7 HA GLU 35 - HG3 GLU 69 far 0 44 0 - 9.0-10.1 HA GLU 35 - HG3 GLU 43 far 0 100 0 - 9.7-10.6 HA LEU 38 - HG2 GLU 63 far 0 41 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 1986 from cnoeabs.peaks (1.91, 2.32, 36.31 ppm; 3.45 A): 1 out of 28 assignments used, quality = 1.00: * HB2 GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.2-2.9 3.0=100 HG LEU 42 - HG3 GLU 43 poor 19 99 25 77 4.5-6.2 10340/10280=33...(11) HB3 LYS 12 - HG3 GLU 16 poor 17 22 80 - 3.9-6.6 HB2 ARG 19 - HG2 GLU 16 poor 15 57 65 40 4.6-7.0 733/4.1=15, 1967=14...(5) HB3 LYS 12 - HG2 GLU 16 poor 15 29 50 - 4.4-7.9 HB3 LYS 68 - HG3 GLU 69 poor 13 24 95 57 3.4-7.0 4.6/7136=27, 4.0/1984=10...(11) HB ILE 8 - HG2 GLU 63 poor 12 40 30 - 4.6-5.6 HB3 ARG 19 - HG2 GLU 16 far 2 49 5 - 4.8-7.3 HB2 LYS 13 - HG3 GLU 16 far 2 46 5 - 4.8-6.8 HB2 GLU 17 - HG2 GLU 16 far 2 35 5 - 4.7-8.0 HB2 GLU 17 - HG3 GLU 16 far 1 26 5 - 4.2-8.0 HB2 LYS 20 - HG2 GLU 16 far 0 55 0 - 5.0-8.7 HB2 ARG 19 - HG3 GLU 16 far 0 44 0 - 5.0-8.4 HB3 LYS 13 - HG3 GLU 16 far 0 47 0 - 5.1-6.5 HB3 LYS 13 - HG2 GLU 16 far 0 61 0 - 5.6-7.2 HB3 LYS 20 - HG2 GLU 16 far 0 44 0 - 5.8-9.6 HB2 LYS 13 - HG2 GLU 16 far 0 60 0 - 6.0-7.4 HB3 ARG 19 - HG3 GLU 16 far 0 37 0 - 6.2-7.9 HB2 LYS 20 - HG3 GLU 16 far 0 42 0 - 6.5-9.0 HB3 LEU 14 - HG3 GLU 16 far 0 48 0 - 6.7-7.7 HB VAL 32 - HG2 GLU 63 far 0 24 0 - 7.0-9.0 HB3 LEU 14 - HG2 GLU 16 far 0 62 0 - 7.1-8.1 HB3 LYS 20 - HG3 GLU 16 far 0 33 0 - 7.5-9.9 HB3 LYS 47 - HG3 GLU 43 far 0 94 0 - 8.5-10.8 HB3 LYS 68 - HG2 GLU 63 far 0 23 0 - 8.6-10.0 HB2 LYS 33 - HG2 GLU 63 far 0 40 0 - 8.7-11.6 HB VAL 54 - HG3 GLU 43 far 0 91 0 - 9.0-11.1 HB3 LYS 33 - HG2 GLU 63 far 0 41 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 1987 from cnoeabs.peaks (2.06, 2.32, 36.31 ppm; 3.12 A): 4 out of 16 assignments used, quality = 1.00: * HB3 GLU 43 + HG3 GLU 43 OK 100 100 100 100 2.7-2.9 3.0=100 HB2 GLU 16 + HG2 GLU 16 OK 59 59 100 100 2.3-3.0 3.0=100 HB2 GLU 16 + HG3 GLU 16 OK 46 46 100 100 2.2-2.8 3.0=100 HB2 MET 74 + HG3 GLU 43 OK 25 100 70 36 3.0-5.8 4.2/10280=29...(4) HB3 GLU 62 - HG2 GLU 63 far 3 32 10 - 3.5-5.4 HB3 LEU 38 - HG3 GLU 43 far 0 99 0 - 7.3-9.7 HB3 GLU 35 - HG2 GLU 63 far 0 37 0 - 7.8-11.7 HB3 GLU 35 - HG3 GLU 69 far 0 39 0 - 7.9-10.8 HB3 GLU 62 - HG3 GLU 69 far 0 33 0 - 8.5-12.0 HB3 LEU 38 - HG2 GLU 63 far 0 41 0 - 8.7-11.7 HB3 LEU 38 - HG3 GLU 69 far 0 43 0 - 8.8-11.6 QE MET 21 - HG2 GLU 16 far 0 36 0 - 9.1-11.7 HB2 MET 21 - HG2 GLU 16 far 0 57 0 - 9.1-12.1 QE MET 21 - HG3 GLU 16 far 0 27 0 - 9.8-12.2 HB2 MET 21 - HG3 GLU 16 far 0 44 0 - 9.9-12.5 HB3 GLU 48 - HG3 GLU 43 far 0 95 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 1988 from cnoeabs.peaks (2.19, 2.32, 36.31 ppm; 2.41 A): 4 out of 16 assignments used, quality = 1.00: * HG2 GLU 43 + HG3 GLU 43 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 16 + HG2 GLU 16 OK 44 49 100 89 2.5-2.9 3.0=51, 1.8/700=23...(14) HB3 GLU 16 + HG3 GLU 16 OK 31 37 100 83 2.2-3.0 3.0=51, 6238/6240=17...(13) HB2 GLU 63 + HG2 GLU 63 OK 29 41 100 70 2.6-3.0 3.0=52, 2772/4.8=12...(8) HB2 GLN 72 - HG3 GLU 69 far 0 32 0 - 5.3-8.1 HG3 GLU 35 - HG3 GLU 69 far 0 43 0 - 7.1-11.2 HG2 GLU 35 - HG3 GLU 69 far 0 43 0 - 7.8-12.0 HG3 PRO 86 - HG3 GLU 16 far 0 47 0 - 7.9-11.6 HG2 GLU 35 - HG3 GLU 43 far 0 99 0 - 8.3-11.3 HG3 GLU 75 - HG3 GLU 43 far 0 97 0 - 8.4-10.6 HG3 GLU 35 - HG3 GLU 43 far 0 99 0 - 8.8-11.0 HG2 GLU 75 - HG3 GLU 43 far 0 96 0 - 9.0-12.1 HG3 GLU 35 - HG2 GLU 63 far 0 41 0 - 9.0-12.8 HG3 PRO 86 - HG2 GLU 16 far 0 61 0 - 9.1-12.0 HB3 GLU 23 - HG2 GLU 16 far 0 35 0 - 9.3-11.8 HB3 GLU 75 - HG3 GLU 43 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 1989 from cnoeabs.peaks (2.32, 2.32, 36.31 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 43 + HG3 GLU 43 OK 100 100 - 100 HG2 GLU 16 + HG2 GLU 16 OK 56 56 - 100 HG3 GLU 69 + HG3 GLU 69 OK 37 37 - 100 HG3 GLU 16 + HG3 GLU 16 OK 36 36 - 100 HG2 GLU 63 + HG2 GLU 63 OK 29 29 - 100 Peak 1990 from cnoeabs.peaks (7.60, 2.32, 36.31 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 44 + HG3 GLU 43 OK 100 100 100 100 4.2-4.6 6707/3.0=89, 6706/3.0=86...(17) H LYS 40 + HG3 GLU 43 OK 75 75 100 99 4.2-5.7 1983/1.8=37, 2.9/1956=35...(27) H GLU 48 - HG3 GLU 43 far 0 97 0 - 8.6-10.2 HD22 ASN 10 - HG2 GLU 63 far 0 42 0 - 8.8-12.2 Violated in 0 structures by 0.00 A. Peak 1991 from cnoeabs.peaks (7.60, 3.94, 58.87 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 44 + HA GLU 44 OK 100 100 100 100 2.7-2.8 3.0=100 H GLU 48 - HA GLU 44 far 10 97 10 - 4.8-6.3 H LYS 40 - HA GLU 44 far 0 75 0 - 8.3-9.6 HE22 GLN 50 - HA GLU 44 far 0 90 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 1992 from cnoeabs.peaks (3.94, 3.94, 58.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 44 + HA GLU 44 OK 100 100 - 100 Peak 1993 from cnoeabs.peaks (2.00, 3.94, 58.87 ppm; 2.94 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.3-3.0 3.0=93, 3.0/1995=36...(24) HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.3-2.8 3.0=93, 3.0/1995=36...(24) HB2 LYS 47 + HA GLU 44 OK 24 73 40 83 3.1-6.3 3.0/12088=24...(12) HB2 ARG 46 - HA GLU 44 far 0 84 0 - 4.7-7.2 QE MET 74 - HA GLU 44 far 0 100 0 - 7.1-8.4 HB3 MET 74 - HA GLU 44 far 0 61 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 1994 from cnoeabs.peaks (2.00, 3.94, 58.87 ppm; 2.94 A): 3 out of 6 assignments used, quality = 1.00: HB2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.3-3.0 3.0=93, 3.0/1995=36...(24) * HB3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.3-2.8 3.0=93, 3.0/1995=36...(24) HB2 LYS 47 + HA GLU 44 OK 24 73 40 83 3.1-6.3 3.0/12088=24...(12) HB2 ARG 46 - HA GLU 44 far 0 84 0 - 4.7-7.2 QE MET 74 - HA GLU 44 far 0 100 0 - 7.1-8.4 HB3 MET 74 - HA GLU 44 far 0 61 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 1995 from cnoeabs.peaks (2.13, 3.94, 58.87 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 44 + HA GLU 44 OK 100 100 100 100 2.8-3.7 4.0=79, 1.8/1996=72...(18) Violated in 2 structures by 0.00 A. Peak 1996 from cnoeabs.peaks (2.35, 3.94, 58.87 ppm; 3.71 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + HA GLU 44 OK 100 100 100 100 2.0-3.8 4.0=83, 1.8/1995=75...(20) HG2 GLU 48 - HA GLU 44 far 0 92 0 - 5.6-8.4 HG3 GLU 43 - HA GLU 44 far 0 75 0 - 6.4-6.5 HB2 TYR 41 - HA GLU 44 far 0 59 0 - 8.2-8.8 Violated in 3 structures by 0.01 A. Peak 1997 from cnoeabs.peaks (8.26, 3.94, 58.87 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + HA GLU 44 OK 100 100 100 100 3.5-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 1998 from cnoeabs.peaks (7.47, 3.94, 58.87 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 47 + HA GLU 44 OK 100 100 100 100 3.6-4.4 6758=100, 6761/6740=54...(14) HE ARG 46 - HA GLU 44 poor 20 100 20 - 5.1-8.5 Violated in 1 structures by 0.00 A. Peak 1999 from cnoeabs.peaks (1.97, 3.94, 58.87 ppm; 3.02 A): 3 out of 7 assignments used, quality = 0.95: HB2 GLU 44 + HA GLU 44 OK 73 73 100 100 2.3-3.0 3.0=100 HB3 GLU 44 + HA GLU 44 OK 73 73 100 100 2.3-2.8 3.0=100 * HB2 LYS 47 + HA GLU 44 OK 35 100 40 88 3.1-6.3 2133=29, 2134/6758=27...(12) HB2 ARG 46 - HA GLU 44 far 0 100 0 - 4.7-7.2 HB3 ARG 46 - HA GLU 44 far 0 99 0 - 4.8-7.5 QE MET 74 - HA GLU 44 far 0 71 0 - 7.1-8.4 HB3 MET 74 - HA GLU 44 far 0 100 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 2000 from cnoeabs.peaks (1.92, 3.94, 58.87 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 47 + HA GLU 44 OK 98 100 100 98 4.1-5.2 1.8/2133=55...(13) HB2 GLU 43 + HA GLU 44 OK 90 94 100 96 4.2-4.5 6706/3.0=58, ~6707=39...(15) HB3 ARG 46 - HA GLU 44 far 7 68 10 - 4.8-7.5 HB3 MET 74 - HA GLU 44 far 0 61 0 - 8.1-9.7 HG LEU 42 - HA GLU 44 far 0 81 0 - 8.5-8.8 Violated in 18 structures by 0.16 A. Peak 2001 from cnoeabs.peaks (3.93, 2.00, 28.65 ppm; 2.92 A): 3 out of 9 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 98 99 100 99 2.3-3.0 3.0=91, 1995/3.0=34...(22) HA GLU 44 + HB3 GLU 44 OK 98 99 100 99 2.3-2.8 3.0=91, 1995/3.0=34...(21) * HA TYR 41 + HB2 GLU 44 OK 71 100 85 84 3.0-5.5 1881=43, 3.7/8988=17...(13) HA TYR 41 - HB3 GLU 44 far 10 100 10 - 3.3-5.6 HA GLU 63 - HB2 GLU 62 far 0 78 0 - 4.7-5.6 HA ALA 89 - HB3 GLU 17 far 0 46 0 - 6.7-8.8 HA ARG 91 - HB3 GLU 17 far 0 30 0 - 7.2-9.4 HB2 SER 85 - HB3 GLU 17 far 0 48 0 - 7.7-10.6 HB3 SER 9 - HB2 GLU 62 far 0 83 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2002 from cnoeabs.peaks (7.60, 2.00, 28.65 ppm; 3.15 A): 3 out of 10 assignments used, quality = 1.00: * H GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.2-3.6 3.9=51, 6713/3.0=39...(25) H GLU 44 + HB3 GLU 44 OK 98 100 100 98 2.1-3.6 3.9=51, 6712/1.8=40...(19) HE22 GLN 50 + HB2 GLN 50 OK 25 41 100 61 1.8-4.0 4.5=34, 9096/3.0=27...(6) H GLU 48 - HB2 GLN 50 far 0 47 0 - 5.8-9.0 H GLU 48 - HB3 GLU 44 far 0 97 0 - 5.8-7.7 H GLU 48 - HB2 GLU 44 far 0 97 0 - 6.2-7.7 H LYS 40 - HB2 GLU 44 far 0 75 0 - 6.7-9.7 H GLU 88 - HB3 GLU 17 far 0 41 0 - 6.9-9.1 H LYS 40 - HB3 GLU 44 far 0 75 0 - 7.5-10.0 H LYS 24 - HB3 GLU 17 far 0 44 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2003 from cnoeabs.peaks (3.94, 2.00, 28.65 ppm; 2.92 A): 3 out of 8 assignments used, quality = 1.00: * HA GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.3-3.0 3.0=91, 1995/3.0=35...(22) HA GLU 44 + HB3 GLU 44 OK 99 100 100 99 2.3-2.8 3.0=91, 1995/3.0=35...(21) HA TYR 41 + HB2 GLU 44 OK 70 99 85 83 3.0-5.5 1881=42, 3.7/8988=17...(13) HA TYR 41 - HB3 GLU 44 far 10 99 10 - 3.3-5.6 HA GLU 63 - HB2 GLU 62 far 0 68 0 - 4.7-5.6 HA ALA 89 - HB3 GLU 17 far 0 34 0 - 6.7-8.8 HB2 SER 85 - HB3 GLU 17 far 0 37 0 - 7.7-10.6 HB3 SER 9 - HB2 GLU 62 far 0 80 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2004 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 * HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB2 GLU 62 + HB2 GLU 62 OK 77 77 - 100 HB3 GLU 17 + HB3 GLU 17 OK 62 62 - 100 HB2 GLN 50 + HB2 GLN 50 OK 40 40 - 100 Peak 2005 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB2 GLU 62 + HB2 GLU 62 OK 77 77 - 100 HB3 GLU 17 + HB3 GLU 17 OK 62 62 - 100 HB2 GLN 50 + HB2 GLN 50 OK 40 40 - 100 Reference assignment not found: HB3 GLU 44 - HB2 GLU 44 Peak 2006 from cnoeabs.peaks (2.13, 2.00, 28.65 ppm; 2.52 A): 2 out of 15 assignments used, quality = 0.98: * HG2 GLU 44 + HB2 GLU 44 OK 87 100 100 87 2.2-3.0 3.0=59, 1995/3.0=25...(15) HG2 GLU 44 + HB3 GLU 44 OK 86 100 100 86 2.2-3.0 3.0=59, 1995/3.0=25...(14) HB2 PRO 86 - HB3 GLU 17 poor 14 57 25 - 2.6-5.1 HB3 PRO 86 - HB3 GLU 17 poor 9 41 85 26 2.1-4.5 12333/3.0=7, ~12333=6...(7) HB3 GLU 16 - HB3 GLU 17 far 0 40 0 - 4.9-7.0 HB2 LEU 64 - HB2 GLU 62 far 0 69 0 - 6.1-7.3 QE MET 21 - HB3 GLU 17 far 0 34 0 - 6.2-7.7 HB2 GLU 75 - HB2 GLN 50 far 0 52 0 - 8.1-14.3 HB3 GLU 37 - HB2 GLU 44 far 0 99 0 - 8.3-13.6 HB VAL 83 - HB3 GLU 17 far 0 51 0 - 8.7-11.0 HG2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.7-12.3 HG2 GLU 88 - HB3 GLU 17 far 0 62 0 - 8.8-11.0 HB2 GLU 69 - HB2 GLU 62 far 0 82 0 - 9.6-11.9 HB3 GLU 37 - HB3 GLU 44 far 0 99 0 - 9.6-13.6 HB3 GLU 23 - HB3 GLU 17 far 0 54 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2007 from cnoeabs.peaks (2.35, 2.00, 28.65 ppm; 3.19 A): 2 out of 11 assignments used, quality = 1.00: HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 * HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 16 - HB3 GLU 17 far 0 57 0 - 4.7-8.0 HG2 GLU 48 - HB2 GLN 50 far 0 43 0 - 5.3-10.0 HG2 GLU 48 - HB3 GLU 44 far 0 92 0 - 5.5-8.5 HB2 TYR 41 - HB2 GLU 44 far 0 59 0 - 5.7-7.9 HB2 TYR 41 - HB3 GLU 44 far 0 59 0 - 5.8-8.1 HG2 GLU 48 - HB2 GLU 44 far 0 92 0 - 6.2-9.2 HG3 GLU 43 - HB2 GLU 44 far 0 75 0 - 6.3-8.0 HG3 GLU 43 - HB3 GLU 44 far 0 75 0 - 6.4-8.1 HG3 GLU 69 - HB2 GLU 62 far 0 78 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2008 from cnoeabs.peaks (8.26, 2.00, 28.65 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 45 + HB2 GLU 44 OK 97 100 100 97 2.7-4.1 4.7=46, 6722/3.9=45...(14) H PHE 45 + HB3 GLU 44 OK 95 100 100 95 3.3-4.1 4.7=46, 6722/3.9=45...(12) H LYS 94 - HB3 GLU 17 far 0 63 0 - 8.7-10.5 H GLU 23 - HB3 GLU 17 far 0 56 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 2009 from cnoeabs.peaks (3.93, 2.00, 28.65 ppm; 2.92 A): 3 out of 9 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 98 99 100 99 2.3-3.0 3.0=91, 1995/3.0=34...(22) HA GLU 44 + HB3 GLU 44 OK 98 99 100 99 2.3-2.8 3.0=91, 1995/3.0=34...(21) HA TYR 41 + HB2 GLU 44 OK 71 100 85 84 3.0-5.5 1881=43, 3.7/8988=17...(13) ! HA TYR 41 - HB3 GLU 44 far 10 100 10 - 3.3-5.6 HA GLU 63 - HB2 GLU 62 far 0 78 0 - 4.7-5.6 HA ALA 89 - HB3 GLU 17 far 0 46 0 - 6.7-8.8 HA ARG 91 - HB3 GLU 17 far 0 30 0 - 7.2-9.4 HB2 SER 85 - HB3 GLU 17 far 0 48 0 - 7.7-10.6 HB3 SER 9 - HB2 GLU 62 far 0 83 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2010 from cnoeabs.peaks (7.60, 2.00, 28.65 ppm; 3.15 A): 3 out of 10 assignments used, quality = 1.00: H GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.2-3.6 3.9=51, 6713/3.0=39...(25) * H GLU 44 + HB3 GLU 44 OK 98 100 100 98 2.1-3.6 3.9=51, 6712/1.8=40...(19) HE22 GLN 50 + HB2 GLN 50 OK 25 41 100 61 1.8-4.0 4.5=34, 9096/3.0=27...(6) H GLU 48 - HB2 GLN 50 far 0 47 0 - 5.8-9.0 H GLU 48 - HB3 GLU 44 far 0 97 0 - 5.8-7.7 H GLU 48 - HB2 GLU 44 far 0 97 0 - 6.2-7.7 H LYS 40 - HB2 GLU 44 far 0 75 0 - 6.7-9.7 H GLU 88 - HB3 GLU 17 far 0 41 0 - 6.9-9.1 H LYS 40 - HB3 GLU 44 far 0 75 0 - 7.5-10.0 H LYS 24 - HB3 GLU 17 far 0 44 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 2011 from cnoeabs.peaks (3.94, 2.00, 28.65 ppm; 2.92 A): 3 out of 8 assignments used, quality = 1.00: HA GLU 44 + HB2 GLU 44 OK 99 100 100 99 2.3-3.0 3.0=91, 1995/3.0=35...(22) * HA GLU 44 + HB3 GLU 44 OK 99 100 100 99 2.3-2.8 3.0=91, 1995/3.0=35...(21) HA TYR 41 + HB2 GLU 44 OK 70 99 85 83 3.0-5.5 1881=42, 3.7/8988=17...(13) HA TYR 41 - HB3 GLU 44 far 10 99 10 - 3.3-5.6 HA GLU 63 - HB2 GLU 62 far 0 68 0 - 4.7-5.6 HA ALA 89 - HB3 GLU 17 far 0 34 0 - 6.7-8.8 HB2 SER 85 - HB3 GLU 17 far 0 37 0 - 7.7-10.6 HB3 SER 9 - HB2 GLU 62 far 0 80 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 2012 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB2 GLU 62 + HB2 GLU 62 OK 77 77 - 100 HB3 GLU 17 + HB3 GLU 17 OK 62 62 - 100 HB2 GLN 50 + HB2 GLN 50 OK 40 40 - 100 Reference assignment not found: HB2 GLU 44 - HB3 GLU 44 Peak 2013 from cnoeabs.peaks (2.00, 2.00, 28.65 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 44 + HB3 GLU 44 OK 100 100 - 100 HB2 GLU 44 + HB2 GLU 44 OK 100 100 - 100 HB2 GLU 62 + HB2 GLU 62 OK 77 77 - 100 HB3 GLU 17 + HB3 GLU 17 OK 62 62 - 100 HB2 GLN 50 + HB2 GLN 50 OK 40 40 - 100 Peak 2014 from cnoeabs.peaks (2.13, 2.00, 28.65 ppm; 2.52 A): 2 out of 15 assignments used, quality = 0.98: HG2 GLU 44 + HB2 GLU 44 OK 87 100 100 87 2.2-3.0 3.0=59, 1995/3.0=25...(15) * HG2 GLU 44 + HB3 GLU 44 OK 86 100 100 86 2.2-3.0 3.0=59, 1995/3.0=25...(14) HB2 PRO 86 - HB3 GLU 17 poor 14 57 25 - 2.6-5.1 HB3 PRO 86 - HB3 GLU 17 poor 9 41 85 26 2.1-4.5 12333/3.0=7, ~12333=6...(7) HB3 GLU 16 - HB3 GLU 17 far 0 40 0 - 4.9-7.0 HB2 LEU 64 - HB2 GLU 62 far 0 69 0 - 6.1-7.3 QE MET 21 - HB3 GLU 17 far 0 34 0 - 6.2-7.7 HB2 GLU 75 - HB2 GLN 50 far 0 52 0 - 8.1-14.3 HB3 GLU 37 - HB2 GLU 44 far 0 99 0 - 8.3-13.6 HB VAL 83 - HB3 GLU 17 far 0 51 0 - 8.7-11.0 HG2 GLU 69 - HB2 GLU 62 far 0 82 0 - 8.7-12.3 HG2 GLU 88 - HB3 GLU 17 far 0 62 0 - 8.8-11.0 HB2 GLU 69 - HB2 GLU 62 far 0 82 0 - 9.6-11.9 HB3 GLU 37 - HB3 GLU 44 far 0 99 0 - 9.6-13.6 HB3 GLU 23 - HB3 GLU 17 far 0 54 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2015 from cnoeabs.peaks (2.35, 2.00, 28.65 ppm; 3.19 A): 2 out of 11 assignments used, quality = 1.00: * HG3 GLU 44 + HB3 GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 GLU 44 + HB2 GLU 44 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 16 - HB3 GLU 17 far 0 57 0 - 4.7-8.0 HG2 GLU 48 - HB2 GLN 50 far 0 43 0 - 5.3-10.0 HG2 GLU 48 - HB3 GLU 44 far 0 92 0 - 5.5-8.5 HB2 TYR 41 - HB2 GLU 44 far 0 59 0 - 5.7-7.9 HB2 TYR 41 - HB3 GLU 44 far 0 59 0 - 5.8-8.1 HG2 GLU 48 - HB2 GLU 44 far 0 92 0 - 6.2-9.2 HG3 GLU 43 - HB2 GLU 44 far 0 75 0 - 6.3-8.0 HG3 GLU 43 - HB3 GLU 44 far 0 75 0 - 6.4-8.1 HG3 GLU 69 - HB2 GLU 62 far 0 78 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 2016 from cnoeabs.peaks (8.26, 2.00, 28.65 ppm; 3.58 A): 2 out of 4 assignments used, quality = 1.00: H PHE 45 + HB2 GLU 44 OK 97 100 100 97 2.7-4.1 4.7=46, 6722/3.9=45...(14) * H PHE 45 + HB3 GLU 44 OK 95 100 100 95 3.3-4.1 4.7=46, 6722/3.9=45...(12) H LYS 94 - HB3 GLU 17 far 0 63 0 - 8.7-10.5 H GLU 23 - HB3 GLU 17 far 0 56 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 2017 from cnoeabs.peaks (7.60, 2.13, 35.75 ppm; 4.48 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 44 + HG2 GLU 44 OK 100 100 100 100 1.9-4.0 6713=100, 3.0/1995=78...(23) H LYS 40 - HG2 GLU 44 far 4 75 5 - 5.9-10.0 H GLU 48 - HG2 GLU 44 far 0 97 0 - 6.1-9.0 H GLU 88 - HG2 GLU 104 far 0 68 0 - 8.5-20.3 Violated in 0 structures by 0.00 A. Peak 2018 from cnoeabs.peaks (3.94, 2.13, 35.75 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.8-3.7 1995=100, 1996/1.8=81...(19) HA TYR 41 + HG2 GLU 44 OK 85 99 95 91 2.4-5.5 1881/3.0=47...(12) HA GLU 63 - HG2 GLU 69 far 0 77 0 - 7.3-9.9 HA ALA 89 - HG2 GLU 104 far 0 57 0 - 7.8-18.2 Violated in 0 structures by 0.00 A. Peak 2019 from cnoeabs.peaks (2.00, 2.13, 35.75 ppm; 3.06 A): 2 out of 15 assignments used, quality = 1.00: HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 * HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 44 far 0 73 0 - 5.3-9.8 QE MET 74 - HG2 GLU 69 far 0 93 0 - 6.0-10.5 QE MET 74 - HG2 GLU 44 far 0 100 0 - 6.6-9.5 HB3 LYS 94 - HG2 GLU 104 far 0 80 0 - 6.7-18.8 HB3 GLU 99 - HG2 GLU 104 far 0 55 0 - 6.9-13.2 HB2 ARG 46 - HG2 GLU 44 far 0 84 0 - 7.0-9.1 HB2 GLU 35 - HG2 GLU 69 far 0 91 0 - 7.2-10.6 HG12 ILE 93 - HG2 GLU 104 far 0 55 0 - 8.0-18.0 HB2 GLU 37 - HG2 GLU 44 far 0 88 0 - 8.1-12.8 HB2 GLU 62 - HG2 GLU 69 far 0 86 0 - 8.7-12.3 HB3 MET 74 - HG2 GLU 69 far 0 52 0 - 9.0-13.1 HB3 MET 74 - HG2 GLU 44 far 0 61 0 - 9.1-11.6 QE MET 1 - HG2 GLU 104 far 0 77 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 2020 from cnoeabs.peaks (2.00, 2.13, 35.75 ppm; 3.06 A): 2 out of 15 assignments used, quality = 1.00: * HB3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLU 44 + HG2 GLU 44 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 44 far 0 73 0 - 5.3-9.8 QE MET 74 - HG2 GLU 69 far 0 93 0 - 6.0-10.5 QE MET 74 - HG2 GLU 44 far 0 100 0 - 6.6-9.5 HB3 LYS 94 - HG2 GLU 104 far 0 80 0 - 6.7-18.8 HB3 GLU 99 - HG2 GLU 104 far 0 55 0 - 6.9-13.2 HB2 ARG 46 - HG2 GLU 44 far 0 84 0 - 7.0-9.1 HB2 GLU 35 - HG2 GLU 69 far 0 91 0 - 7.2-10.6 HG12 ILE 93 - HG2 GLU 104 far 0 55 0 - 8.0-18.0 HB2 GLU 37 - HG2 GLU 44 far 0 88 0 - 8.1-12.8 HB2 GLU 62 - HG2 GLU 69 far 0 86 0 - 8.7-12.3 HB3 MET 74 - HG2 GLU 69 far 0 52 0 - 9.0-13.1 HB3 MET 74 - HG2 GLU 44 far 0 61 0 - 9.1-11.6 QE MET 1 - HG2 GLU 104 far 0 77 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 2021 from cnoeabs.peaks (2.13, 2.13, 35.75 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 44 + HG2 GLU 44 OK 100 100 - 100 HG2 GLU 69 + HG2 GLU 69 OK 91 91 - 100 HG2 GLU 104 + HG2 GLU 104 OK 90 90 - 100 Peak 2022 from cnoeabs.peaks (2.35, 2.13, 35.75 ppm; 2.48 A): 2 out of 5 assignments used, quality = 1.00: * HG3 GLU 44 + HG2 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 69 + HG2 GLU 69 OK 88 88 100 100 1.8-1.8 1.8=100 HB2 TYR 41 - HG2 GLU 44 far 0 59 0 - 5.2-7.5 HG3 GLU 43 - HG2 GLU 44 far 0 75 0 - 5.8-8.3 HG2 GLU 48 - HG2 GLU 44 far 0 92 0 - 5.9-11.0 Violated in 0 structures by 0.00 A. Peak 2023 from cnoeabs.peaks (8.26, 2.13, 35.75 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: * H PHE 45 + HG2 GLU 44 OK 100 100 100 100 3.0-5.2 6722/6713=76...(9) H LEU 103 - HG2 GLU 104 poor 18 73 25 - 4.2-7.9 H LYS 94 - HG2 GLU 104 far 5 94 5 - 5.7-17.9 H ALA 71 - HG2 GLU 69 far 5 93 5 - 5.4-7.0 Violated in 11 structures by 0.06 A. Peak 2024 from cnoeabs.peaks (7.60, 2.35, 35.75 ppm; 3.97 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.2-3.9 6713/1.8=79, 3.0/1996=64...(19) H GLU 48 + HG2 GLU 48 OK 77 77 100 100 1.8-3.4 6794/1.8=74, 6792/3.0=69...(18) HE22 GLN 50 - HG2 GLU 48 far 3 68 5 - 4.5-12.3 H LYS 40 - HG3 GLU 44 far 0 75 0 - 6.6-9.7 H GLU 48 - HG3 GLU 44 far 0 97 0 - 7.0-9.5 H GLU 44 - HG2 GLU 48 far 0 83 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 2025 from cnoeabs.peaks (3.94, 2.35, 35.75 ppm; 3.84 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.0-3.8 1996=100, 1995/1.8=79...(20) HA TYR 41 + HG3 GLU 44 OK 43 99 50 87 3.2-6.1 1880/3.0=45, 2018/1.8=33...(13) HA GLU 44 - HG2 GLU 48 far 0 83 0 - 5.6-8.4 HA GLU 63 - HG3 GLU 69 far 0 72 0 - 8.1-10.5 HB3 SER 9 - HG2 GLU 16 far 0 70 0 - 8.7-11.7 HA TYR 41 - HG2 GLU 48 far 0 80 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2026 from cnoeabs.peaks (2.00, 2.35, 35.75 ppm; 3.06 A): 2 out of 21 assignments used, quality = 1.00: HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 * HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 48 poor 15 54 65 43 2.9-6.6 4.0/9029=14, 2144/4.9=14...(8) HB3 GLU 17 - HG2 GLU 16 far 0 72 0 - 4.7-8.0 HB2 LYS 47 - HG3 GLU 44 far 0 73 0 - 5.0-9.7 HB2 GLN 50 - HG2 GLU 48 far 0 67 0 - 5.3-10.0 HB3 GLU 44 - HG2 GLU 48 far 0 83 0 - 5.5-8.5 HB2 ARG 46 - HG2 GLU 48 far 0 63 0 - 6.2-8.2 HB2 GLU 44 - HG2 GLU 48 far 0 83 0 - 6.2-9.2 QE MET 74 - HG3 GLU 44 far 0 100 0 - 6.7-9.6 HB2 ARG 46 - HG3 GLU 44 far 0 84 0 - 6.8-10.0 QE MET 74 - HG3 GLU 69 far 0 87 0 - 6.9-10.6 QE MET 1 - HG2 GLU 48 far 0 66 0 - 7.6-12.8 HB3 MET 1 - HG2 GLU 48 far 0 83 0 - 7.7-14.5 HB2 GLU 37 - HG3 GLU 44 far 0 88 0 - 8.5-12.7 HB2 GLU 35 - HG3 GLU 69 far 0 86 0 - 8.8-10.6 HB3 MET 74 - HG2 GLU 48 far 0 44 0 - 8.9-12.1 HB3 MET 74 - HG3 GLU 44 far 0 61 0 - 9.4-11.7 QE MET 74 - HG2 GLU 48 far 0 83 0 - 9.5-11.6 HB2 GLU 62 - HG3 GLU 69 far 0 81 0 - 9.5-12.8 HB3 MET 74 - HG3 GLU 69 far 0 48 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 2027 from cnoeabs.peaks (2.00, 2.35, 35.75 ppm; 3.06 A): 2 out of 21 assignments used, quality = 1.00: * HB3 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LYS 47 - HG2 GLU 48 poor 15 54 65 43 2.9-6.6 4.0/9029=14, 2144/4.9=14...(8) HB3 GLU 17 - HG2 GLU 16 far 0 72 0 - 4.7-8.0 HB2 LYS 47 - HG3 GLU 44 far 0 73 0 - 5.0-9.7 HB2 GLN 50 - HG2 GLU 48 far 0 67 0 - 5.3-10.0 HB3 GLU 44 - HG2 GLU 48 far 0 83 0 - 5.5-8.5 HB2 ARG 46 - HG2 GLU 48 far 0 63 0 - 6.2-8.2 HB2 GLU 44 - HG2 GLU 48 far 0 83 0 - 6.2-9.2 QE MET 74 - HG3 GLU 44 far 0 100 0 - 6.7-9.6 HB2 ARG 46 - HG3 GLU 44 far 0 84 0 - 6.8-10.0 QE MET 74 - HG3 GLU 69 far 0 87 0 - 6.9-10.6 QE MET 1 - HG2 GLU 48 far 0 66 0 - 7.6-12.8 HB3 MET 1 - HG2 GLU 48 far 0 83 0 - 7.7-14.5 HB2 GLU 37 - HG3 GLU 44 far 0 88 0 - 8.5-12.7 HB2 GLU 35 - HG3 GLU 69 far 0 86 0 - 8.8-10.6 HB3 MET 74 - HG2 GLU 48 far 0 44 0 - 8.9-12.1 HB3 MET 74 - HG3 GLU 44 far 0 61 0 - 9.4-11.7 QE MET 74 - HG2 GLU 48 far 0 83 0 - 9.5-11.6 HB2 GLU 62 - HG3 GLU 69 far 0 81 0 - 9.5-12.8 HB3 MET 74 - HG3 GLU 69 far 0 48 0 - 9.5-13.2 Violated in 0 structures by 0.00 A. Peak 2028 from cnoeabs.peaks (2.13, 2.35, 35.75 ppm; 2.40 A): 5 out of 14 assignments used, quality = 1.00: * HG2 GLU 44 + HG3 GLU 44 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 69 + HG3 GLU 69 OK 86 86 100 100 1.8-1.8 1.8=100 HB2 GLU 69 + HG3 GLU 69 OK 71 86 100 83 2.2-2.9 3.0=52, 3.0/3092=23...(11) HB3 GLU 69 + HG3 GLU 69 OK 71 86 100 83 2.7-3.0 3.0=52, 3.0/3092=23...(11) HB3 GLU 16 + HG2 GLU 16 OK 42 48 100 88 2.5-2.9 3.0=51, 1.8/700=23...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.3-8.1 HG2 GLU 44 - HG2 GLU 48 far 0 83 0 - 5.9-11.0 HB3 PRO 86 - HG2 GLU 16 far 0 49 0 - 7.1-10.2 HB2 PRO 86 - HG2 GLU 16 far 0 67 0 - 7.1-9.0 HB2 LEU 64 - HG3 GLU 69 far 0 73 0 - 8.0-11.1 HB3 GLU 37 - HG3 GLU 44 far 0 99 0 - 8.2-13.6 HB2 GLU 75 - HG2 GLU 48 far 0 83 0 - 8.9-14.1 QE MET 21 - HG2 GLU 16 far 0 41 0 - 9.1-11.7 HB3 GLU 23 - HG2 GLU 16 far 0 63 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 2029 from cnoeabs.peaks (2.35, 2.35, 35.75 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 44 + HG3 GLU 44 OK 100 100 - 100 HG3 GLU 69 + HG3 GLU 69 OK 82 82 - 100 HG2 GLU 48 + HG2 GLU 48 OK 71 71 - 100 HG2 GLU 16 + HG2 GLU 16 OK 67 67 - 100 Peak 2030 from cnoeabs.peaks (8.26, 2.35, 35.75 ppm; 5.22 A): 3 out of 4 assignments used, quality = 1.00: * H PHE 45 + HG3 GLU 44 OK 100 100 100 100 2.1-5.2 2023/1.8=91, 3.6/1996=84...(12) H ALA 71 + HG3 GLU 69 OK 80 87 95 97 6.1-6.8 7157/7148=64...(9) H PHE 45 + HG2 GLU 48 OK 70 83 90 94 5.4-6.9 ~10620=40, ~10181=37...(12) H GLU 23 - HG2 GLU 16 far 0 66 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2031 from cnoeabs.peaks (8.26, 4.52, 55.95 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 45 + HA PHE 45 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2032 from cnoeabs.peaks (4.52, 4.52, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + HA PHE 45 OK 100 100 - 100 Peak 2033 from cnoeabs.peaks (2.98, 4.52, 55.95 ppm; 3.32 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 45 + HA PHE 45 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 PHE 45 + HA PHE 45 OK 96 96 100 100 2.4-3.0 3.0=100 HE2 LYS 47 - HA PHE 45 far 0 99 0 - 5.0-8.0 HE3 LYS 47 - HA PHE 45 far 0 99 0 - 5.1-8.6 Violated in 0 structures by 0.00 A. Peak 2034 from cnoeabs.peaks (2.97, 4.52, 55.95 ppm; 3.34 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 45 + HA PHE 45 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 PHE 45 + HA PHE 45 OK 96 96 100 100 2.3-3.0 3.0=100 HE2 LYS 47 - HA PHE 45 far 0 100 0 - 5.0-8.0 HE3 LYS 47 - HA PHE 45 far 0 100 0 - 5.1-8.6 Violated in 0 structures by 0.00 A. Peak 2035 from cnoeabs.peaks (6.66, 4.52, 55.95 ppm; 3.38 A): 1 out of 1 assignment used, quality = 0.97: * QD PHE 45 + HA PHE 45 OK 97 100 100 98 2.0-2.4 3.7=75, 6731/3.0=44...(16) Violated in 0 structures by 0.00 A. Peak 2036 from cnoeabs.peaks (6.51, 4.52, 55.95 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + HA PHE 45 OK 100 100 100 100 4.3-4.7 2.2/2035=100, 9001=98...(13) Violated in 0 structures by 0.00 A. Peak 2038 from cnoeabs.peaks (8.02, 4.52, 55.95 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HA PHE 45 OK 100 100 100 100 3.4-3.5 3.6=100 Violated in 0 structures by 0.00 A. Peak 2039 from cnoeabs.peaks (3.70, 2.98, 36.68 ppm; 5.34 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB2 PHE 45 OK 100 100 100 100 3.0-5.2 8928/2.5=95, 6719/3.7=79...(19) HA LEU 42 + HB3 PHE 45 OK 90 90 100 100 3.0-4.9 8928/2.5=95, 6719/3.7=79...(20) Violated in 0 structures by 0.00 A. Peak 2040 from cnoeabs.peaks (8.26, 2.98, 36.68 ppm; 4.72 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 45 + HB2 PHE 45 OK 100 100 100 100 2.6-3.7 3.7=100 H PHE 45 + HB3 PHE 45 OK 90 90 100 100 2.5-3.6 3.7=100 H ALA 71 - HB2 PHE 45 far 0 100 0 - 8.9-12.4 H ALA 71 - HB3 PHE 45 far 0 90 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 2041 from cnoeabs.peaks (4.52, 2.98, 36.68 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 45 + HB2 PHE 45 OK 100 100 100 100 2.3-3.0 3.0=100 HA PHE 45 + HB3 PHE 45 OK 90 90 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2042 from cnoeabs.peaks (2.98, 2.98, 36.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 45 + HB2 PHE 45 OK 100 100 - 100 HB3 PHE 45 + HB3 PHE 45 OK 83 83 - 100 Peak 2043 from cnoeabs.peaks (2.97, 2.98, 36.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 PHE 45 + HB2 PHE 45 OK 96 96 - 100 HB3 PHE 45 + HB3 PHE 45 OK 90 90 - 100 Reference assignment not found: HB3 PHE 45 - HB2 PHE 45 Peak 2044 from cnoeabs.peaks (6.66, 2.98, 36.68 ppm; 4.39 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 45 + HB2 PHE 45 OK 100 100 100 100 2.4-2.8 2.5=100 QD PHE 45 + HB3 PHE 45 OK 90 90 100 100 2.3-2.8 2.5=100 Violated in 0 structures by 0.00 A. Peak 2045 from cnoeabs.peaks (6.51, 2.98, 36.68 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: * QE PHE 45 + HB2 PHE 45 OK 100 100 100 100 4.4-4.5 4.4=100 QE PHE 45 + HB3 PHE 45 OK 90 90 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 2047 from cnoeabs.peaks (8.02, 2.98, 36.68 ppm; 4.85 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 46 + HB2 PHE 45 OK 100 100 100 100 2.5-4.2 4.5=100 H ARG 46 + HB3 PHE 45 OK 90 90 100 100 2.5-4.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 2048 from cnoeabs.peaks (3.70, 2.97, 36.68 ppm; 5.27 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 42 + HB3 PHE 45 OK 100 100 100 100 3.0-4.9 8928/2.5=94, 6719/3.7=78...(20) HA LEU 42 + HB2 PHE 45 OK 90 90 100 100 3.0-5.2 8928/2.5=94, 6719/3.7=78...(19) Violated in 0 structures by 0.00 A. Peak 2049 from cnoeabs.peaks (8.26, 2.97, 36.68 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 45 + HB3 PHE 45 OK 100 100 100 100 2.5-3.6 3.7=100 H PHE 45 + HB2 PHE 45 OK 90 90 100 100 2.6-3.7 3.7=100 H ALA 71 - HB2 PHE 45 far 0 90 0 - 8.9-12.4 H ALA 71 - HB3 PHE 45 far 0 100 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 2050 from cnoeabs.peaks (4.52, 2.97, 36.68 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 45 + HB3 PHE 45 OK 100 100 100 100 2.4-3.0 3.0=100 HA PHE 45 + HB2 PHE 45 OK 90 90 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2051 from cnoeabs.peaks (2.98, 2.97, 36.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PHE 45 + HB3 PHE 45 OK 96 96 - 100 HB2 PHE 45 + HB2 PHE 45 OK 90 90 - 100 Reference assignment not found: HB2 PHE 45 - HB3 PHE 45 Peak 2052 from cnoeabs.peaks (2.97, 2.97, 36.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 45 + HB3 PHE 45 OK 100 100 - 100 HB2 PHE 45 + HB2 PHE 45 OK 83 83 - 100 Peak 2053 from cnoeabs.peaks (6.66, 2.97, 36.68 ppm; 4.53 A): 2 out of 2 assignments used, quality = 1.00: * QD PHE 45 + HB3 PHE 45 OK 100 100 100 100 2.3-2.8 2.5=100 QD PHE 45 + HB2 PHE 45 OK 90 90 100 100 2.4-2.8 2.5=100 Violated in 0 structures by 0.00 A. Peak 2054 from cnoeabs.peaks (6.51, 2.97, 36.68 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: * QE PHE 45 + HB3 PHE 45 OK 100 100 100 100 4.4-4.5 4.4=100 QE PHE 45 + HB2 PHE 45 OK 90 90 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 2056 from cnoeabs.peaks (8.02, 2.97, 36.68 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 46 + HB3 PHE 45 OK 100 100 100 100 2.5-4.2 4.5=100 H ARG 46 + HB2 PHE 45 OK 90 90 100 100 2.5-4.2 4.5=100 Violated in 0 structures by 0.00 A. Peak 2057 from cnoeabs.peaks (8.02, 4.07, 58.19 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HA ARG 46 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2058 from cnoeabs.peaks (4.07, 4.07, 58.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ARG 46 + HA ARG 46 OK 100 100 - 100 HA LYS 66 + HA LYS 66 OK 86 86 - 100 HA LYS 24 + HA LYS 24 OK 46 46 - 100 Peak 2059 from cnoeabs.peaks (1.97, 4.07, 58.19 ppm; 2.84 A): 4 out of 16 assignments used, quality = 1.00: * HB2 ARG 46 + HA ARG 46 OK 99 100 100 99 2.2-3.0 3.0=85, 3.0/2096=24...(24) HB3 ARG 46 + HA ARG 46 OK 95 96 100 99 2.2-3.0 3.0=85, 3.0/2096=24...(23) HB2 LYS 24 + HA LYS 24 OK 60 60 100 99 2.2-2.5 3.0=84, 2.9/1096=27...(28) HB3 LYS 24 + HA LYS 24 OK 60 60 100 99 2.9-3.0 3.0=84, 2.9/1096=27...(28) HB3 MET 74 - HA ARG 46 far 0 98 0 - 4.4-7.6 HB2 GLU 35 - HA LYS 66 far 0 55 0 - 4.5-6.9 HB2 LYS 47 - HA ARG 46 far 0 100 0 - 5.4-6.6 QE MET 74 - HA ARG 46 far 0 82 0 - 6.1-7.9 QE MET 74 - HA LYS 66 far 0 65 0 - 7.3-10.6 HB2 GLU 44 - HA ARG 46 far 0 84 0 - 7.5-8.3 HB3 GLU 44 - HA ARG 46 far 0 84 0 - 7.7-8.5 QE MET 1 - HA ARG 46 far 0 100 0 - 8.4-12.4 HB2 LYS 73 - HA LYS 66 far 0 78 0 - 8.9-10.2 HB VAL 32 - HA LYS 66 far 0 54 0 - 9.0-10.2 HB3 MET 1 - HA ARG 46 far 0 81 0 - 9.7-15.0 HB2 LYS 73 - HA ARG 46 far 0 95 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 2060 from cnoeabs.peaks (1.96, 4.07, 58.19 ppm; 2.80 A): 4 out of 14 assignments used, quality = 1.00: * HB3 ARG 46 + HA ARG 46 OK 98 100 100 98 2.2-3.0 3.0=82, 3.0/2096=23...(24) HB2 ARG 46 + HA ARG 46 OK 95 96 100 98 2.2-3.0 3.0=82, 3.0/2096=23...(24) HB2 LYS 24 + HA LYS 24 OK 63 64 100 98 2.2-2.5 3.0=81, 2.9/1096=26...(28) HB3 LYS 24 + HA LYS 24 OK 63 64 100 98 2.9-3.0 3.0=81, 2.9/1096=26...(28) HB3 MET 74 - HA ARG 46 far 0 100 0 - 4.4-7.6 HB2 LYS 47 - HA ARG 46 far 0 99 0 - 5.4-6.6 HB3 LYS 47 - HA ARG 46 far 0 68 0 - 5.5-6.6 HB3 LYS 20 - HA LYS 24 far 0 48 0 - 5.6-7.1 QE MET 1 - HA ARG 46 far 0 95 0 - 8.4-12.4 HB2 LYS 94 - HA LYS 24 far 0 34 0 - 8.5-12.2 HB2 LYS 73 - HA LYS 66 far 0 87 0 - 8.9-10.2 HB VAL 32 - HA LYS 66 far 0 76 0 - 9.0-10.2 HB3 ARG 19 - HA LYS 24 far 0 42 0 - 9.0-10.7 HB2 LYS 73 - HA ARG 46 far 0 100 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 2061 from cnoeabs.peaks (1.82, 4.07, 58.19 ppm; 3.26 A): 3 out of 11 assignments used, quality = 1.00: * HG2 ARG 46 + HA ARG 46 OK 100 100 100 100 2.2-3.8 4.1=52, 1.8/2096=42...(31) HG3 ARG 46 + HA ARG 46 OK 61 61 100 99 2.4-3.5 4.1=52, 3.0/2105=34...(29) HB3 LYS 66 + HA LYS 66 OK 50 50 100 100 3.0-3.0 3.0=100 HB2 LYS 68 - HA LYS 66 far 0 82 0 - 6.1-7.1 HB2 LEU 42 - HA ARG 46 far 0 94 0 - 6.2-7.6 HB2 LYS 39 - HA LYS 66 far 0 65 0 - 7.6-11.2 HB3 LYS 39 - HA LYS 66 far 0 49 0 - 8.2-11.6 HB2 LYS 53 - HA ARG 46 far 0 96 0 - 8.9-12.0 HB3 LYS 39 - HA ARG 46 far 0 63 0 - 9.5-11.1 HB3 LYS 90 - HA LYS 24 far 0 62 0 - 9.5-11.1 HB ILE 93 - HA LYS 24 far 0 52 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2062 from cnoeabs.peaks (1.79, 4.07, 58.19 ppm; 3.22 A): 3 out of 10 assignments used, quality = 1.00: * HG3 ARG 46 + HA ARG 46 OK 99 100 100 99 2.4-3.5 4.1=50, 2095/3.0=36...(31) HB2 LYS 66 + HA LYS 66 OK 73 73 100 100 2.4-2.7 3.0=100 HG2 ARG 46 + HA ARG 46 OK 61 61 100 99 2.2-3.8 4.1=50, 1.8/2096=41...(31) HB2 LEU 42 - HA ARG 46 far 0 92 0 - 6.2-7.6 HB3 GLU 63 - HA LYS 66 far 0 84 0 - 7.1-8.1 HB2 LYS 39 - HA LYS 66 far 0 83 0 - 7.6-11.2 HB VAL 78 - HA ARG 46 far 0 100 0 - 8.6-10.8 HB ILE 56 - HA LYS 66 far 0 69 0 - 9.1-10.1 HG3 ARG 19 - HA LYS 24 far 0 46 0 - 9.2-12.1 HB ILE 93 - HA LYS 24 far 0 57 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2063 from cnoeabs.peaks (3.31, 4.07, 58.19 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HA ARG 46 OK 100 100 100 100 4.3-4.7 2105=100, 1.8/2114=82...(30) Violated in 3 structures by 0.00 A. Peak 2064 from cnoeabs.peaks (3.19, 4.07, 58.19 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 46 + HA ARG 46 OK 100 100 100 100 4.5-5.0 2114=100, 1.8/2105=94...(29) HB2 ASP 77 - HA ARG 46 far 0 96 0 - 7.1-8.7 Violated in 0 structures by 0.00 A. Peak 2065 from cnoeabs.peaks (7.47, 4.07, 58.19 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 47 + HA ARG 46 OK 100 100 100 100 3.4-3.6 3.6=100 HE ARG 46 + HA ARG 46 OK 45 100 45 99 3.8-6.4 2.9/2105=57, 2.9/2114=54...(17) H ILE 52 - HA ARG 46 poor 18 90 20 - 4.9-7.9 HD22 ASN 26 - HA LYS 24 poor 9 64 50 30 5.3-5.8 8632/4.8=25, 5.5/2870=3 HE22 GLN 72 - HA LYS 66 far 0 59 0 - 7.7-10.8 HE ARG 19 - HA LYS 24 far 0 54 0 - 9.9-13.8 Violated in 0 structures by 0.00 A. Peak 2066 from cnoeabs.peaks (3.88, 1.97, 29.74 ppm; 3.90 A): 4 out of 10 assignments used, quality = 1.00: * HA GLU 43 + HB2 ARG 46 OK 98 100 100 98 2.4-4.5 10171/3.6=43, 1960=38...(15) HA GLU 43 + HB3 ARG 46 OK 90 92 100 98 2.0-4.2 10171/3.6=43, 1960=40...(15) HB3 SER 49 + HB2 ARG 46 OK 51 84 75 81 3.7-8.9 2270/3.0=20, 1.8/9062=18...(15) HB3 SER 49 + HB3 ARG 46 OK 41 72 70 81 3.8-8.6 2270/3.0=20...(15) HA ALA 71 - HB3 ARG 46 far 0 53 0 - 6.1-9.3 HA ALA 71 - HB2 ARG 46 far 0 63 0 - 6.3-9.6 HA LYS 40 - HB3 ARG 46 far 0 82 0 - 7.3-9.7 HA LYS 40 - HB2 ARG 46 far 0 94 0 - 7.5-9.6 HA LEU 38 - HB3 ARG 46 far 0 90 0 - 9.6-13.5 HA LEU 38 - HB2 ARG 46 far 0 99 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 2067 from cnoeabs.peaks (8.02, 1.97, 29.74 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 46 + HB2 ARG 46 OK 99 100 100 99 2.1-3.6 4.0=57, 6750/1.8=42...(27) H ARG 46 + HB3 ARG 46 OK 91 92 100 99 2.1-3.6 4.0=57, 6749/1.8=42...(24) Violated in 0 structures by 0.00 A. Peak 2068 from cnoeabs.peaks (4.07, 1.97, 29.74 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.2-3.0 3.0=100 HA ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.2-3.0 3.0=100 HB2 SER 49 - HB3 ARG 46 far 0 84 0 - 5.0-9.2 HB2 SER 49 - HB2 ARG 46 far 0 96 0 - 5.1-9.2 Violated in 0 structures by 0.00 A. Peak 2069 from cnoeabs.peaks (1.97, 1.97, 29.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 46 + HB2 ARG 46 OK 100 100 - 100 HB3 ARG 46 + HB3 ARG 46 OK 85 85 - 100 Peak 2070 from cnoeabs.peaks (1.96, 1.97, 29.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 ARG 46 + HB2 ARG 46 OK 96 96 - 100 HB3 ARG 46 + HB3 ARG 46 OK 92 92 - 100 Reference assignment not found: HB3 ARG 46 - HB2 ARG 46 Peak 2071 from cnoeabs.peaks (1.82, 1.97, 29.74 ppm; 2.96 A): 4 out of 10 assignments used, quality = 1.00: * HG2 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=99, 1.8/2098=28...(29) HG2 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.4-3.0 3.0=99, 1.8/2098=29...(30) HG3 ARG 46 + HB2 ARG 46 OK 61 61 100 100 2.4-3.0 3.0=99, 2098/1.8=15...(27) HG3 ARG 46 + HB3 ARG 46 OK 51 51 100 100 2.3-3.0 3.0=99, 2098/1.8=15...(28) HB2 LEU 42 - HB3 ARG 46 far 8 82 10 - 4.0-7.4 HB2 LEU 42 - HB2 ARG 46 far 0 94 0 - 4.7-7.8 HB3 LYS 39 - HB3 ARG 46 far 0 53 0 - 6.9-10.5 HB3 LYS 39 - HB2 ARG 46 far 0 63 0 - 7.6-10.3 HB2 LYS 39 - HB3 ARG 46 far 0 70 0 - 8.3-11.7 HB2 LYS 39 - HB2 ARG 46 far 0 82 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 2072 from cnoeabs.peaks (1.79, 1.97, 29.74 ppm; 3.02 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB2 ARG 46 OK 61 61 100 100 2.3-3.0 3.0=100 HG2 ARG 46 + HB3 ARG 46 OK 51 51 100 100 2.4-3.0 3.0=100 HB2 LEU 42 - HB3 ARG 46 far 12 80 15 - 4.0-7.4 HB2 LEU 42 - HB2 ARG 46 far 0 92 0 - 4.7-7.8 HB VAL 78 - HB2 ARG 46 far 0 100 0 - 8.0-12.1 HB2 LYS 39 - HB3 ARG 46 far 0 88 0 - 8.3-11.7 HB VAL 78 - HB3 ARG 46 far 0 91 0 - 8.5-11.9 HB2 LYS 39 - HB2 ARG 46 far 0 99 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 2073 from cnoeabs.peaks (3.31, 1.97, 29.74 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.5-3.8 3.6=100 HD2 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.4-3.9 3.6=100 Violated in 0 structures by 0.00 A. Peak 2074 from cnoeabs.peaks (3.19, 1.97, 29.74 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 46 + HB2 ARG 46 OK 100 100 100 100 2.5-3.7 3.6=100 HD3 ARG 46 + HB3 ARG 46 OK 92 92 100 100 2.5-3.7 3.6=100 HB2 ASP 77 - HB3 ARG 46 far 0 85 0 - 7.0-11.2 HB2 ASP 77 - HB2 ARG 46 far 0 96 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2075 from cnoeabs.peaks (7.47, 1.97, 29.74 ppm; 3.93 A): 4 out of 6 assignments used, quality = 1.00: HE ARG 46 + HB2 ARG 46 OK 99 100 100 99 1.9-4.8 4.5=64, 3.6/2098=26...(19) * H LYS 47 + HB2 ARG 46 OK 98 100 100 98 2.4-4.3 4.7=60, 6761/4.0=52...(18) HE ARG 46 + HB3 ARG 46 OK 91 92 100 99 1.9-4.8 4.5=64, 3.6/2098=27...(19) H LYS 47 + HB3 ARG 46 OK 90 92 100 97 2.6-4.3 4.7=60, 6761/4.0=52...(14) H ILE 52 - HB3 ARG 46 far 0 78 0 - 6.3-10.7 H ILE 52 - HB2 ARG 46 far 0 90 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 2076 from cnoeabs.peaks (3.88, 1.96, 29.74 ppm; 3.89 A): 4 out of 10 assignments used, quality = 1.00: * HA GLU 43 + HB3 ARG 46 OK 98 100 100 98 2.0-4.2 10171/3.6=43, 1960=42...(15) HA GLU 43 + HB2 ARG 46 OK 90 92 100 98 2.4-4.5 10171/3.6=43, 1960=40...(15) HB3 SER 49 + HB3 ARG 46 OK 47 84 70 81 3.8-8.6 2270/3.0=20...(15) HB3 SER 49 + HB2 ARG 46 OK 43 72 75 80 3.7-8.9 2270/3.0=20...(15) HA ALA 71 - HB3 ARG 46 far 0 63 0 - 6.1-9.3 HA ALA 71 - HB2 ARG 46 far 0 53 0 - 6.3-9.6 HA LYS 40 - HB3 ARG 46 far 0 94 0 - 7.3-9.7 HA LYS 40 - HB2 ARG 46 far 0 82 0 - 7.5-9.6 HA LEU 38 - HB3 ARG 46 far 0 99 0 - 9.6-13.5 HA LEU 38 - HB2 ARG 46 far 0 90 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 2077 from cnoeabs.peaks (8.02, 1.96, 29.74 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 46 + HB3 ARG 46 OK 99 100 100 99 2.1-3.6 4.0=54, 6749/1.8=41...(25) H ARG 46 + HB2 ARG 46 OK 91 92 100 99 2.1-3.6 4.0=54, 6750/1.8=41...(25) Violated in 0 structures by 0.00 A. Peak 2078 from cnoeabs.peaks (4.07, 1.96, 29.74 ppm; 3.42 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 46 + HB3 ARG 46 OK 100 100 100 100 2.2-3.0 3.0=100 HA ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.2-3.0 3.0=100 HB2 SER 49 - HB3 ARG 46 far 0 96 0 - 5.0-9.2 HB2 SER 49 - HB2 ARG 46 far 0 84 0 - 5.1-9.2 Violated in 0 structures by 0.00 A. Peak 2079 from cnoeabs.peaks (1.97, 1.96, 29.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ARG 46 + HB3 ARG 46 OK 96 96 - 100 HB2 ARG 46 + HB2 ARG 46 OK 92 92 - 100 Reference assignment not found: HB2 ARG 46 - HB3 ARG 46 Peak 2080 from cnoeabs.peaks (1.96, 1.96, 29.74 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 46 + HB3 ARG 46 OK 100 100 - 100 HB2 ARG 46 + HB2 ARG 46 OK 85 85 - 100 Peak 2081 from cnoeabs.peaks (1.82, 1.96, 29.74 ppm; 2.84 A): 4 out of 10 assignments used, quality = 1.00: * HG2 ARG 46 + HB3 ARG 46 OK 99 100 100 99 2.4-3.0 3.0=88, 1.8/2098=28...(30) HG2 ARG 46 + HB2 ARG 46 OK 91 92 100 99 2.3-3.0 3.0=88, 1.8/2098=27...(29) HG3 ARG 46 + HB3 ARG 46 OK 60 61 100 98 2.3-3.0 3.0=88, 2098/1.8=14...(28) HG3 ARG 46 + HB2 ARG 46 OK 50 51 100 98 2.4-3.0 3.0=88, 2098/1.8=14...(27) HB2 LEU 42 - HB3 ARG 46 far 9 94 10 - 4.0-7.4 HB2 LEU 42 - HB2 ARG 46 far 0 82 0 - 4.7-7.8 HB3 LYS 39 - HB3 ARG 46 far 0 63 0 - 6.9-10.5 HB3 LYS 39 - HB2 ARG 46 far 0 53 0 - 7.6-10.3 HB2 LYS 39 - HB3 ARG 46 far 0 82 0 - 8.3-11.7 HB2 LYS 39 - HB2 ARG 46 far 0 70 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 2082 from cnoeabs.peaks (1.79, 1.96, 29.74 ppm; 2.91 A): 4 out of 10 assignments used, quality = 1.00: * HG3 ARG 46 + HB3 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=94, 2098/1.8=28...(30) HG3 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.4-3.0 3.0=94, 2098/1.8=29...(29) HG2 ARG 46 + HB3 ARG 46 OK 61 61 100 100 2.4-3.0 3.0=94, 1.8/2098=29...(29) HG2 ARG 46 + HB2 ARG 46 OK 51 51 100 100 2.3-3.0 3.0=94, 1.8/2098=28...(27) HB2 LEU 42 - HB3 ARG 46 far 9 92 10 - 4.0-7.4 HB2 LEU 42 - HB2 ARG 46 far 0 80 0 - 4.7-7.8 HB VAL 78 - HB2 ARG 46 far 0 91 0 - 8.0-12.1 HB2 LYS 39 - HB3 ARG 46 far 0 99 0 - 8.3-11.7 HB VAL 78 - HB3 ARG 46 far 0 100 0 - 8.5-11.9 HB2 LYS 39 - HB2 ARG 46 far 0 88 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 2083 from cnoeabs.peaks (3.31, 1.96, 29.74 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 46 + HB3 ARG 46 OK 100 100 100 100 2.4-3.9 3.6=100 HD2 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.5-3.8 3.6=100 Violated in 0 structures by 0.00 A. Peak 2084 from cnoeabs.peaks (3.19, 1.96, 29.74 ppm; 3.75 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 46 + HB3 ARG 46 OK 100 100 100 100 2.5-3.7 3.6=100 HD3 ARG 46 + HB2 ARG 46 OK 92 92 100 100 2.5-3.7 3.6=100 HB2 ASP 77 - HB3 ARG 46 far 0 96 0 - 7.0-11.2 HB2 ASP 77 - HB2 ARG 46 far 0 85 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2085 from cnoeabs.peaks (7.47, 1.96, 29.74 ppm; 3.83 A): 4 out of 6 assignments used, quality = 1.00: HE ARG 46 + HB3 ARG 46 OK 98 100 100 98 1.9-4.8 4.5=60, 3.6/2098=28...(19) * H LYS 47 + HB3 ARG 46 OK 97 100 100 97 2.6-4.3 4.7=56, 6761/4.0=50...(15) HE ARG 46 + HB2 ARG 46 OK 90 92 100 98 1.9-4.8 4.5=60, 3.6/2098=27...(19) H LYS 47 + HB2 ARG 46 OK 90 92 100 98 2.4-4.3 4.7=56, 6761/4.0=50...(18) H ILE 52 - HB3 ARG 46 far 0 90 0 - 6.3-10.7 H ILE 52 - HB2 ARG 46 far 0 78 0 - 7.3-10.8 Violated in 0 structures by 0.00 A. Peak 2086 from cnoeabs.peaks (8.02, 1.82, 26.76 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.0-3.3 4.9=69, 6752/1.8=57...(27) Violated in 0 structures by 0.00 A. Peak 2087 from cnoeabs.peaks (4.07, 1.82, 26.76 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.2-3.8 4.1=100 HB2 SER 49 - HG2 ARG 46 far 0 96 0 - 6.4-9.5 Violated in 0 structures by 0.00 A. Peak 2088 from cnoeabs.peaks (1.97, 1.82, 26.76 ppm; 3.13 A): 3 out of 10 assignments used, quality = 1.00: * HB2 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 46 + HG2 ARG 46 OK 96 96 100 100 2.4-3.0 3.0=100 HB3 MET 74 + HG2 ARG 46 OK 33 98 50 67 3.2-5.7 2107/3.0=12, 2116/3.0=12...(19) QE MET 74 - HG2 ARG 46 poor 15 82 30 62 3.9-6.3 9608/3.0=25, 9607/3.0=20...(12) HB2 LYS 47 - HG2 ARG 46 poor 12 100 35 36 3.7-8.0 2134/6765=18...(7) HB2 GLU 44 - HG2 ARG 46 far 0 84 0 - 6.0-8.2 HB3 GLU 44 - HG2 ARG 46 far 0 84 0 - 6.4-8.6 HB2 LYS 73 - HG2 ARG 46 far 0 95 0 - 8.3-11.0 HB3 LYS 73 - HG2 ARG 46 far 0 94 0 - 9.1-11.3 QE MET 1 - HG2 ARG 46 far 0 100 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 2089 from cnoeabs.peaks (1.96, 1.82, 26.76 ppm; 3.01 A): 3 out of 8 assignments used, quality = 1.00: * HB3 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ARG 46 + HG2 ARG 46 OK 96 96 100 100 2.3-3.0 3.0=100 HB3 MET 74 + HG2 ARG 46 OK 28 100 45 63 3.2-5.7 2107/3.0=12, 2116/3.0=12...(17) HB2 LYS 47 - HG2 ARG 46 poor 11 99 35 31 3.7-8.0 2134/6765=17...(6) HB3 LYS 47 - HG2 ARG 46 far 3 68 5 - 4.5-8.2 HB2 LYS 73 - HG2 ARG 46 far 0 100 0 - 8.3-11.0 HB3 LYS 73 - HG2 ARG 46 far 0 100 0 - 9.1-11.3 QE MET 1 - HG2 ARG 46 far 0 95 0 - 9.2-14.9 Violated in 0 structures by 0.00 A. Peak 2090 from cnoeabs.peaks (1.82, 1.82, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 46 + HG2 ARG 46 OK 100 100 - 100 Peak 2091 from cnoeabs.peaks (1.79, 1.82, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: HG2 ARG 46 + HG2 ARG 46 OK 61 61 - 100 Reference assignment not found: HG3 ARG 46 - HG2 ARG 46 Peak 2092 from cnoeabs.peaks (3.31, 1.82, 26.76 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2093 from cnoeabs.peaks (3.19, 1.82, 26.76 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ASP 77 - HG2 ARG 46 far 0 96 0 - 7.4-12.3 Violated in 0 structures by 0.00 A. Peak 2094 from cnoeabs.peaks (7.47, 1.82, 26.76 ppm; 4.88 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 46 + HG2 ARG 46 OK 100 100 100 100 2.3-3.9 3.6=100 * H LYS 47 + HG2 ARG 46 OK 100 100 100 100 2.2-4.9 6761/2086=70, 6765=63...(17) H ILE 52 - HG2 ARG 46 far 4 90 5 - 5.9-11.0 Violated in 0 structures by 0.00 A. Peak 2095 from cnoeabs.peaks (8.02, 1.79, 26.76 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.7-4.2 6752=62, 3.0/2096=54...(25) Violated in 2 structures by 0.00 A. Peak 2096 from cnoeabs.peaks (4.07, 1.79, 26.76 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.4-3.5 4.1=97, 3.0/2095=57...(32) HB2 SER 49 - HG3 ARG 46 poor 18 96 25 76 5.2-9.5 1.8/10173=27...(12) Violated in 0 structures by 0.00 A. Peak 2097 from cnoeabs.peaks (1.97, 1.79, 26.76 ppm; 3.09 A): 3 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 ARG 46 + HG3 ARG 46 OK 96 96 100 100 2.3-3.0 3.0=100 HB3 MET 74 + HG3 ARG 46 OK 34 98 50 70 2.9-5.8 2107/3.0=12, 2116/3.0=12...(20) QE MET 74 - HG3 ARG 46 poor 14 82 25 67 4.2-6.6 9608/3.0=24, 9607/3.0=19...(13) HB2 LYS 47 - HG3 ARG 46 far 0 100 0 - 4.6-8.4 HB2 GLU 44 - HG3 ARG 46 far 0 84 0 - 7.1-8.6 HB3 GLU 44 - HG3 ARG 46 far 0 84 0 - 7.7-9.1 HB2 LYS 73 - HG3 ARG 46 far 0 95 0 - 8.0-11.1 HB3 LYS 73 - HG3 ARG 46 far 0 94 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 2098 from cnoeabs.peaks (1.96, 1.79, 26.76 ppm; 2.92 A): 3 out of 7 assignments used, quality = 1.00: * HB3 ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.3-3.0 3.0=95, 3.0/2096=26...(33) HB2 ARG 46 + HG3 ARG 46 OK 96 96 100 100 2.4-3.0 3.0=95, 3.0/2096=26...(32) HB3 MET 74 + HG3 ARG 46 OK 30 100 45 66 2.9-5.8 2107/3.0=11, 2116/3.0=11...(21) HB2 LYS 47 - HG3 ARG 46 far 0 99 0 - 4.6-8.4 HB3 LYS 47 - HG3 ARG 46 far 0 68 0 - 5.3-8.1 HB2 LYS 73 - HG3 ARG 46 far 0 100 0 - 8.0-11.1 HB3 LYS 73 - HG3 ARG 46 far 0 100 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 2099 from cnoeabs.peaks (1.82, 1.79, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: HG3 ARG 46 + HG3 ARG 46 OK 61 61 - 100 Reference assignment not found: HG2 ARG 46 - HG3 ARG 46 Peak 2100 from cnoeabs.peaks (1.79, 1.79, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 46 + HG3 ARG 46 OK 100 100 - 100 Peak 2101 from cnoeabs.peaks (3.31, 1.79, 26.76 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.2-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2102 from cnoeabs.peaks (3.19, 1.79, 26.76 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 ASP 77 - HG3 ARG 46 far 0 96 0 - 8.1-11.9 Violated in 0 structures by 0.00 A. Peak 2103 from cnoeabs.peaks (7.47, 1.79, 26.76 ppm; 4.57 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 46 + HG3 ARG 46 OK 100 100 100 100 2.5-3.9 3.6=100 * H LYS 47 + HG3 ARG 46 OK 100 100 100 100 3.2-5.0 6761/2095=66, 6766=63...(15) H ILE 52 - HG3 ARG 46 far 0 90 0 - 7.5-10.7 Violated in 0 structures by 0.00 A. Peak 2104 from cnoeabs.peaks (8.02, 3.31, 43.64 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HD2 ARG 46 OK 100 100 100 100 4.7-5.2 6753=100, 2095/3.0=88...(23) Violated in 0 structures by 0.00 A. Peak 2105 from cnoeabs.peaks (4.07, 3.31, 43.64 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HD2 ARG 46 OK 100 100 100 100 4.3-4.7 2063=82, 2114/1.8=74...(30) HB2 SER 49 - HD2 ARG 46 far 0 96 0 - 6.8-10.6 Violated in 17 structures by 0.20 A. Peak 2106 from cnoeabs.peaks (1.97, 3.31, 43.64 ppm; 3.48 A): 4 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + HD2 ARG 46 OK 100 100 100 100 2.5-3.8 3.6=87, 3.0/2105=40...(30) HB3 ARG 46 + HD2 ARG 46 OK 96 96 100 100 2.4-3.9 3.6=87, 3.0/2105=40...(30) HB3 MET 74 + HD2 ARG 46 OK 84 98 100 85 1.9-3.6 4.2/9608=31...(15) QE MET 74 + HD2 ARG 46 OK 63 82 95 81 2.7-5.1 9608=42, 9607/1.8=30...(11) HB2 LYS 73 - HD2 ARG 46 far 0 95 0 - 6.3-8.6 HB2 LYS 47 - HD2 ARG 46 far 0 100 0 - 6.7-9.8 HB3 LYS 73 - HD2 ARG 46 far 0 94 0 - 6.8-9.0 HB2 GLU 44 - HD2 ARG 46 far 0 84 0 - 8.7-9.7 HB3 GLU 44 - HD2 ARG 46 far 0 84 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 2107 from cnoeabs.peaks (1.96, 3.31, 43.64 ppm; 3.48 A): 3 out of 7 assignments used, quality = 1.00: * HB3 ARG 46 + HD2 ARG 46 OK 100 100 100 100 2.4-3.9 3.6=87, 3.0/2105=40...(31) HB2 ARG 46 + HD2 ARG 46 OK 96 96 100 100 2.5-3.8 3.6=87, 3.0/2105=40...(31) HB3 MET 74 + HD2 ARG 46 OK 87 100 100 87 1.9-3.6 4.2/9608=31...(16) HB2 LYS 73 - HD2 ARG 46 far 0 100 0 - 6.3-8.6 HB2 LYS 47 - HD2 ARG 46 far 0 99 0 - 6.7-9.8 HB3 LYS 73 - HD2 ARG 46 far 0 100 0 - 6.8-9.0 HB3 LYS 47 - HD2 ARG 46 far 0 68 0 - 7.4-9.7 Violated in 0 structures by 0.00 A. Peak 2108 from cnoeabs.peaks (1.82, 3.31, 43.64 ppm; 3.35 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 46 + HD2 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 46 + HD2 ARG 46 OK 61 61 100 100 2.2-2.5 3.0=100 HB2 LEU 42 - HD2 ARG 46 far 5 94 5 - 4.6-7.0 HB3 LYS 39 - HD2 ARG 46 far 0 63 0 - 6.0-8.7 HB2 LYS 39 - HD2 ARG 46 far 0 82 0 - 7.6-10.0 Violated in 0 structures by 0.00 A. Peak 2109 from cnoeabs.peaks (1.79, 3.31, 43.64 ppm; 3.38 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 46 + HD2 ARG 46 OK 100 100 100 100 2.2-2.5 3.0=100 HG2 ARG 46 + HD2 ARG 46 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 LEU 42 - HD2 ARG 46 far 5 92 5 - 4.6-7.0 HB2 LYS 39 - HD2 ARG 46 far 0 99 0 - 7.6-10.0 HB VAL 78 - HD2 ARG 46 far 0 100 0 - 9.2-11.3 Violated in 0 structures by 0.00 A. Peak 2110 from cnoeabs.peaks (3.31, 3.31, 43.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HD2 ARG 46 OK 100 100 - 100 Peak 2111 from cnoeabs.peaks (3.19, 3.31, 43.64 ppm; 2.46 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 46 + HD2 ARG 46 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 77 - HD2 ARG 46 far 0 96 0 - 8.0-12.2 Violated in 0 structures by 0.00 A. Peak 2112 from cnoeabs.peaks (7.47, 3.31, 43.64 ppm; 4.68 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 46 + HD2 ARG 46 OK 100 100 100 100 2.3-2.9 2.9=100 * H LYS 47 + HD2 ARG 46 OK 84 100 85 99 5.1-6.4 3.6/2105=64...(12) H ILE 52 - HD2 ARG 46 far 0 90 0 - 7.7-12.1 Violated in 0 structures by 0.00 A. Peak 2113 from cnoeabs.peaks (8.02, 3.19, 43.64 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 46 + HD3 ARG 46 OK 100 100 100 100 4.1-4.7 2095/3.0=93, 2086/3.0=90...(22) Violated in 0 structures by 0.00 A. Peak 2114 from cnoeabs.peaks (4.07, 3.19, 43.64 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 46 + HD3 ARG 46 OK 100 100 100 100 4.5-5.0 2105/1.8=82, 2064=69...(29) HB2 SER 49 - HD3 ARG 46 far 0 96 0 - 7.7-11.2 Violated in 20 structures by 0.36 A. Peak 2115 from cnoeabs.peaks (1.97, 3.19, 43.64 ppm; 3.43 A): 4 out of 9 assignments used, quality = 1.00: * HB2 ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.5-3.7 3.6=83, 3.0/2114=37...(28) HB3 ARG 46 + HD3 ARG 46 OK 96 96 100 100 2.5-3.7 3.6=83, 3.0/2114=37...(28) HB3 MET 74 + HD3 ARG 46 OK 80 98 100 81 2.1-4.2 3.0/9013=24, 4.2/9607=21...(13) QE MET 74 + HD3 ARG 46 OK 60 82 95 77 2.3-5.1 9608/1.8=38, 9607=23...(11) HB2 LYS 47 - HD3 ARG 46 far 0 100 0 - 5.9-9.4 HB2 LYS 73 - HD3 ARG 46 far 0 95 0 - 6.8-8.6 HB3 LYS 73 - HD3 ARG 46 far 0 94 0 - 7.4-9.1 HB2 GLU 44 - HD3 ARG 46 far 0 84 0 - 7.5-8.8 HB3 GLU 44 - HD3 ARG 46 far 0 84 0 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 2116 from cnoeabs.peaks (1.96, 3.19, 43.64 ppm; 3.36 A): 3 out of 7 assignments used, quality = 1.00: * HB3 ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.5-3.7 3.6=78, 3.0/2114=35...(29) HB2 ARG 46 + HD3 ARG 46 OK 96 96 100 100 2.5-3.7 3.6=78, 3.0/2114=35...(29) HB3 MET 74 + HD3 ARG 46 OK 81 100 100 81 2.1-4.2 3.0/9013=23, 2107/1.8=21...(14) HB2 LYS 47 - HD3 ARG 46 far 0 99 0 - 5.9-9.4 HB2 LYS 73 - HD3 ARG 46 far 0 100 0 - 6.8-8.6 HB3 LYS 47 - HD3 ARG 46 far 0 68 0 - 6.9-8.7 HB3 LYS 73 - HD3 ARG 46 far 0 100 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 2117 from cnoeabs.peaks (1.82, 3.19, 43.64 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: * HG2 ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 46 + HD3 ARG 46 OK 61 61 100 100 2.4-3.0 3.0=100 HB2 LEU 42 - HD3 ARG 46 poor 19 94 55 37 3.8-6.6 10283/9020=11...(9) HB3 LYS 39 - HD3 ARG 46 far 0 63 0 - 5.4-8.5 HB2 LYS 39 - HD3 ARG 46 far 0 82 0 - 7.0-9.6 Violated in 0 structures by 0.00 A. Peak 2118 from cnoeabs.peaks (1.79, 3.19, 43.64 ppm; 3.26 A): 2 out of 5 assignments used, quality = 1.00: * HG3 ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 ARG 46 + HD3 ARG 46 OK 61 61 100 100 2.2-3.0 3.0=100 HB2 LEU 42 - HD3 ARG 46 poor 13 92 40 34 3.8-6.6 8916/9607=9...(10) HB2 LYS 39 - HD3 ARG 46 far 0 99 0 - 7.0-9.6 HB VAL 78 - HD3 ARG 46 far 0 100 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 2119 from cnoeabs.peaks (3.31, 3.19, 43.64 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 46 + HD3 ARG 46 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2120 from cnoeabs.peaks (3.19, 3.19, 43.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 46 + HD3 ARG 46 OK 100 100 - 100 Peak 2121 from cnoeabs.peaks (7.47, 3.19, 43.64 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 46 + HD3 ARG 46 OK 100 100 100 100 2.3-2.9 2.9=100 * H LYS 47 + HD3 ARG 46 OK 73 100 75 97 4.5-6.1 3.6/2114=51, 6765/3.0=39...(10) H ILE 52 - HD3 ARG 46 far 0 90 0 - 8.6-12.5 Violated in 0 structures by 0.00 A. Peak 2122 from cnoeabs.peaks (7.47, 4.14, 57.73 ppm; 3.39 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 47 + HA LYS 47 OK 100 100 100 100 2.7-2.9 2.9=100 HE ARG 46 - HA LYS 47 poor 7 100 25 26 4.1-6.6 ~2112=8, ~2121=7...(6) HE22 GLN 72 - HA LYS 73 far 0 36 0 - 6.1-8.9 H ILE 52 - HA LYS 47 far 0 90 0 - 8.2-10.8 HE ARG 46 - HA LYS 73 far 0 57 0 - 8.2-11.1 Violated in 0 structures by 0.00 A. Peak 2123 from cnoeabs.peaks (4.14, 4.14, 57.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 47 + HA LYS 47 OK 100 100 - 100 HA LYS 73 + HA LYS 73 OK 40 40 - 100 Peak 2124 from cnoeabs.peaks (1.97, 4.14, 57.73 ppm; 2.86 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 47 + HA LYS 47 OK 99 100 100 99 2.4-3.0 3.0=85, 2134/2.9=36...(30) HB2 LYS 73 + HA LYS 73 OK 54 54 100 99 3.0-3.0 3.0=89, 7205/3.0=23...(29) HB3 LYS 73 + HA LYS 73 OK 53 54 100 99 2.3-2.6 3.0=89, 7205/3.0=23...(29) HB2 ARG 46 + HA LYS 47 OK 21 100 35 59 4.1-5.5 6763/2.9=14, ~6771=7...(15) HB3 ARG 46 - HA LYS 47 poor 20 99 20 - 4.0-5.4 QE MET 74 - HA LYS 73 far 0 34 0 - 4.9-6.4 HB3 MET 74 - HA LYS 73 far 0 57 0 - 5.7-6.6 HB3 GLU 44 - HA LYS 47 far 0 73 0 - 7.5-8.8 HB2 GLU 44 - HA LYS 47 far 0 73 0 - 7.6-9.1 HB3 MET 74 - HA LYS 47 far 0 100 0 - 7.6-10.5 QE MET 74 - HA LYS 47 far 0 71 0 - 7.6-10.5 HB2 ARG 46 - HA LYS 73 far 0 57 0 - 8.4-12.0 HB3 ARG 46 - HA LYS 73 far 0 55 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 2125 from cnoeabs.peaks (1.92, 4.14, 57.73 ppm; 2.95 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LYS 47 + HA LYS 47 OK 100 100 100 100 2.6-3.0 3.0=93, 2146/2.9=38...(32) HB3 LYS 73 + HA LYS 73 OK 35 35 100 100 2.3-2.6 3.0=98, 7206/3.0=18...(26) HB2 LYS 73 + HA LYS 73 OK 34 34 100 100 3.0-3.0 3.0=98, 7206/3.0=18...(26) HB3 ARG 46 - HA LYS 47 poor 13 68 35 56 4.0-5.4 6771/2.9=16, ~6765=7...(12) HB3 MET 74 - HA LYS 73 far 0 28 0 - 5.7-6.6 HB2 GLU 43 - HA LYS 47 far 0 94 0 - 6.0-8.6 HB3 MET 74 - HA LYS 47 far 0 61 0 - 7.6-10.5 HB3 ARG 46 - HA LYS 73 far 0 32 0 - 9.1-11.6 HG LEU 42 - HA LYS 73 far 0 40 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2126 from cnoeabs.peaks (1.49, 4.14, 57.73 ppm; 3.26 A): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 47 + HA LYS 47 OK 100 100 100 100 2.4-3.4 3.9=58, 6772/2.9=43...(59) HG2 LYS 73 + HA LYS 73 OK 56 57 100 98 2.5-3.3 4.1=51, 7207/3.0=41...(44) HG13 ILE 52 - HA LYS 47 far 0 70 0 - 6.1-10.9 Violated in 0 structures by 0.00 A. Peak 2127 from cnoeabs.peaks (1.62, 4.14, 57.73 ppm; 3.59 A): 2 out of 8 assignments used, quality = 1.00: * HG3 LYS 47 + HA LYS 47 OK 100 100 100 100 2.5-3.5 3.9=78, 6773/2.9=60...(68) HG3 LYS 73 + HA LYS 73 OK 44 44 100 100 2.3-3.5 4.1=68, 7208/3.0=50...(53) HD3 LYS 39 - HA LYS 73 far 0 49 0 - 8.3-10.9 HD2 LYS 39 - HA LYS 73 far 0 35 0 - 8.3-11.1 HB ILE 76 - HA LYS 73 far 0 46 0 - 8.4-9.0 HG2 LYS 68 - HA LYS 73 far 0 48 0 - 9.2-12.9 HD2 LYS 68 - HA LYS 73 far 0 37 0 - 9.3-11.9 HB ILE 76 - HA LYS 47 far 0 90 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 2128 from cnoeabs.peaks (1.68, 4.14, 57.73 ppm; 3.77 A): 4 out of 13 assignments used, quality = 1.00: * HD2 LYS 47 + HA LYS 47 OK 100 100 100 100 3.9-4.9 3.0/2126=42, 5.1=40...(102) HD3 LYS 47 + HA LYS 47 OK 100 100 100 100 4.4-5.0 3.0/2126=42, 5.1=40...(102) HD2 LYS 73 + HA LYS 73 OK 53 53 100 100 4.1-4.9 5.1=40, 3.0/3272=28...(75) HD3 LYS 73 + HA LYS 73 OK 52 52 100 100 4.1-4.9 5.1=40, 3.0/3272=28...(79) HB3 LEU 70 - HA LYS 73 far 0 32 0 - 6.9-7.2 HB ILE 52 - HA LYS 47 far 0 99 0 - 7.2-10.4 HD3 LYS 39 - HA LYS 73 far 0 27 0 - 8.3-10.9 HD2 LYS 39 - HA LYS 73 far 0 42 0 - 8.3-11.1 HB ILE 76 - HA LYS 73 far 0 31 0 - 8.4-9.0 HG LEU 70 - HA LYS 73 far 0 49 0 - 8.5-9.1 HG2 LYS 68 - HA LYS 73 far 0 28 0 - 9.2-12.9 HD2 LYS 68 - HA LYS 73 far 0 40 0 - 9.3-11.9 HB ILE 76 - HA LYS 47 far 0 65 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 2129 from cnoeabs.peaks (1.68, 4.14, 57.73 ppm; 3.77 A): 4 out of 12 assignments used, quality = 1.00: HD2 LYS 47 + HA LYS 47 OK 100 100 100 100 3.9-4.9 3.0/2126=42, 5.1=40...(102) * HD3 LYS 47 + HA LYS 47 OK 100 100 100 100 4.4-5.0 3.0/2126=42, 5.1=40...(102) HD2 LYS 73 + HA LYS 73 OK 52 52 100 100 4.1-4.9 5.1=40, 3.0/3272=28...(75) HD3 LYS 73 + HA LYS 73 OK 51 51 100 100 4.1-4.9 5.1=40, 3.0/3272=28...(79) HB3 LEU 70 - HA LYS 73 far 0 33 0 - 6.9-7.2 HB ILE 52 - HA LYS 47 far 0 99 0 - 7.2-10.4 HD2 LYS 39 - HA LYS 73 far 0 41 0 - 8.3-11.1 HB ILE 76 - HA LYS 73 far 0 30 0 - 8.4-9.0 HG LEU 70 - HA LYS 73 far 0 50 0 - 8.5-9.1 HG2 LYS 68 - HA LYS 73 far 0 27 0 - 9.2-12.9 HD2 LYS 68 - HA LYS 73 far 0 39 0 - 9.3-11.9 HB ILE 76 - HA LYS 47 far 0 63 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 2130 from cnoeabs.peaks (2.97, 4.14, 57.73 ppm; 5.00 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 47 + HA LYS 47 OK 100 100 100 100 4.2-5.2 3.8/2127=55, 3.8/2126=53...(83) HE3 LYS 47 + HA LYS 47 OK 100 100 100 100 4.2-5.5 3.8/2127=55, 3.8/2126=53...(83) HE2 LYS 73 + HA LYS 73 OK 45 45 100 100 4.4-5.5 6.7=42, 4.0/3272=36...(67) HE3 LYS 73 + HA LYS 73 OK 40 40 100 100 4.4-5.4 6.7=42, 4.0/3272=36...(66) HB2 PHE 45 - HA LYS 47 far 0 99 0 - 7.4-8.3 HB3 PHE 45 - HA LYS 47 far 0 100 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 2131 from cnoeabs.peaks (2.97, 4.14, 57.73 ppm; 5.00 A): 4 out of 6 assignments used, quality = 1.00: HE2 LYS 47 + HA LYS 47 OK 100 100 100 100 4.2-5.2 3.8/2127=55, 3.8/2126=53...(83) * HE3 LYS 47 + HA LYS 47 OK 100 100 100 100 4.2-5.5 3.8/2127=55, 3.8/2126=53...(83) HE2 LYS 73 + HA LYS 73 OK 45 45 100 100 4.4-5.5 6.7=42, 4.0/3272=36...(67) HE3 LYS 73 + HA LYS 73 OK 40 40 100 100 4.4-5.4 6.7=42, 4.0/3272=36...(66) HB2 PHE 45 - HA LYS 47 far 0 99 0 - 7.4-8.3 HB3 PHE 45 - HA LYS 47 far 0 100 0 - 7.4-8.2 Violated in 0 structures by 0.00 A. Peak 2132 from cnoeabs.peaks (7.62, 4.14, 57.73 ppm; 3.85 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + HA LYS 47 OK 100 100 100 100 3.4-3.6 3.6=100 HE22 GLN 50 - HA LYS 47 far 5 99 5 - 4.4-11.4 H GLU 44 - HA LYS 47 far 0 97 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 2133 from cnoeabs.peaks (3.94, 1.97, 32.41 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.95: * HA GLU 44 + HB2 LYS 47 OK 95 100 95 100 3.1-6.3 12088/3.0=67...(18) HB2 SER 97 - HB3 LYS 24 far 0 65 0 - 7.6-9.1 HB2 SER 97 - HB2 MET 1 far 0 50 0 - 8.5-12.7 HA TYR 41 - HB2 LYS 47 far 0 99 0 - 8.5-11.9 HB2 SER 97 - HB2 LYS 24 far 0 65 0 - 9.1-10.5 Violated in 12 structures by 0.61 A. Peak 2134 from cnoeabs.peaks (7.47, 1.97, 32.41 ppm; 3.49 A): 1 out of 13 assignments used, quality = 1.00: * H LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.2-3.6 2146/1.8=70, 4.0=64...(26) HE ARG 46 - HB2 LYS 47 far 0 100 0 - 5.2-8.4 H ILE 52 - HB2 MET 1 far 0 43 0 - 6.2-7.7 HE22 GLN 72 - HB2 LYS 73 far 0 64 0 - 6.8-10.2 HD22 ASN 26 - HB3 LYS 24 far 0 69 0 - 7.4-8.2 HE22 GLN 72 - HB3 LYS 73 far 0 63 0 - 7.5-10.7 HD22 ASN 26 - HB2 LYS 24 far 0 69 0 - 7.6-8.1 HE ARG 46 - HB2 LYS 73 far 0 92 0 - 7.9-10.2 HE ARG 46 - HB3 LYS 73 far 0 91 0 - 8.0-10.8 H ILE 52 - HB2 LYS 47 far 0 90 0 - 9.5-11.5 HE ARG 19 - HB2 LYS 24 far 0 58 0 - 9.7-13.2 HE ARG 19 - HB3 LYS 24 far 0 58 0 - 9.9-13.1 H ARG 91 - HB3 LYS 24 far 0 69 0 - 10.0-11.5 Violated in 12 structures by 0.06 A. Peak 2135 from cnoeabs.peaks (4.14, 1.97, 32.41 ppm; 3.00 A): 4 out of 9 assignments used, quality = 1.00: * HA LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.4-3.0 3.0=98, 2.9/2134=40...(34) HA LYS 73 + HB2 LYS 73 OK 69 69 100 100 3.0-3.0 3.0=100 HA LYS 73 + HB3 LYS 73 OK 68 68 100 100 2.3-2.6 3.0=100 HA MET 1 + HB2 MET 1 OK 49 50 100 99 2.2-3.0 3.0=99 HA GLU 23 - HB3 LYS 24 far 0 69 0 - 5.5-5.9 HA GLN 72 - HB2 LYS 73 far 0 89 0 - 5.6-6.0 HA GLU 23 - HB2 LYS 24 far 0 69 0 - 5.7-6.2 HA GLN 72 - HB3 LYS 73 far 0 88 0 - 6.6-6.6 HA GLU 99 - HB2 MET 1 far 0 45 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2136 from cnoeabs.peaks (1.97, 1.97, 32.41 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 47 + HB2 LYS 47 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 89 89 - 100 HB3 LYS 73 + HB3 LYS 73 OK 87 87 - 100 HB2 LYS 24 + HB2 LYS 24 OK 69 69 - 100 HB3 LYS 24 + HB3 LYS 24 OK 69 69 - 100 HB2 MET 1 + HB2 MET 1 OK 38 38 - 100 Peak 2137 from cnoeabs.peaks (1.92, 1.97, 32.41 ppm; 2.40 A): 5 out of 28 assignments used, quality = 1.00: * HB3 LYS 47 + HB2 LYS 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 73 + HB2 LYS 73 OK 62 62 100 100 1.8-1.8 1.8=100 HB2 LYS 73 + HB3 LYS 73 OK 59 59 100 100 1.8-1.8 1.8=100 HB3 LYS 24 + HB2 LYS 24 OK 36 36 100 100 1.8-1.8 1.8=100 HB2 LYS 24 + HB3 LYS 24 OK 36 36 100 100 1.8-1.8 1.8=100 HB3 LYS 20 - HB2 LYS 24 far 3 67 5 - 3.8-5.2 HB3 LYS 20 - HB3 LYS 24 far 0 67 0 - 4.2-5.8 HB3 MET 74 - HB2 LYS 73 far 0 51 0 - 4.4-5.8 HB3 ARG 46 - HB2 LYS 47 far 0 68 0 - 4.7-7.0 HB2 GLU 43 - HB2 LYS 47 far 0 94 0 - 4.8-8.5 HB2 LYS 20 - HB3 LYS 24 far 0 40 0 - 5.1-6.8 HB2 LYS 20 - HB2 LYS 24 far 0 40 0 - 5.3-6.6 HB3 MET 74 - HB3 LYS 73 far 0 50 0 - 5.4-6.8 HB2 LYS 94 - HB3 LYS 24 far 0 69 0 - 6.1-10.5 HG LEU 42 - HB2 LYS 73 far 0 69 0 - 7.2-9.7 HB2 LYS 94 - HB2 LYS 24 far 0 69 0 - 7.7-11.6 HB3 ARG 46 - HB2 LYS 73 far 0 57 0 - 8.1-10.8 HB3 ARG 19 - HB3 LYS 24 far 0 69 0 - 8.1-10.4 HB3 ARG 19 - HB2 LYS 24 far 0 69 0 - 8.2-10.6 HB2 ARG 19 - HB3 LYS 24 far 0 44 0 - 8.4-10.7 HB3 MET 74 - HB2 LYS 47 far 0 61 0 - 8.5-12.2 HG LEU 42 - HB3 LYS 73 far 0 68 0 - 8.5-11.3 HB2 ARG 19 - HB2 LYS 24 far 0 44 0 - 8.6-11.0 HB2 GLU 17 - HB3 LYS 24 far 0 61 0 - 8.8-11.0 HB2 GLU 43 - HB2 LYS 73 far 0 83 0 - 8.9-10.6 HB3 ARG 46 - HB3 LYS 73 far 0 56 0 - 8.9-11.4 HB2 GLU 17 - HB2 LYS 24 far 0 61 0 - 9.8-11.7 HB2 GLU 43 - HB3 LYS 73 far 0 82 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 2138 from cnoeabs.peaks (1.49, 1.97, 32.41 ppm; 3.11 A): 5 out of 21 assignments used, quality = 1.00: * HG2 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 73 + HB2 LYS 73 OK 92 92 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 91 91 100 100 2.5-3.0 2.9=100 HG3 LYS 24 + HB2 LYS 24 OK 61 61 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 61 61 100 100 2.4-3.0 2.9=100 HG2 LYS 53 - HB2 MET 1 far 0 37 0 - 5.1-6.6 HG3 LYS 53 - HB2 MET 1 far 0 42 0 - 5.1-7.9 HG LEU 2 - HB2 MET 1 far 0 41 0 - 6.0-7.9 HG2 LYS 20 - HB3 LYS 24 far 0 41 0 - 6.0-8.3 HG2 LYS 20 - HB2 LYS 24 far 0 41 0 - 6.1-8.0 HB2 LEU 27 - HB3 LYS 24 far 0 41 0 - 6.9-8.1 HD2 LYS 53 - HB2 MET 1 far 0 33 0 - 7.0-8.7 HG13 ILE 52 - HB2 LYS 47 far 0 70 0 - 7.2-11.5 HG13 ILE 52 - HB2 MET 1 far 0 31 0 - 7.6-9.5 HB2 LEU 27 - HB2 LYS 24 far 0 41 0 - 7.9-9.4 HB2 LEU 38 - HB2 LYS 73 far 0 55 0 - 8.6-10.2 HG LEU 38 - HB2 LYS 73 far 0 62 0 - 9.0-11.1 HG3 LYS 66 - HB2 LYS 73 far 0 92 0 - 9.1-13.1 HG LEU 2 - HB2 LYS 47 far 0 87 0 - 9.3-11.9 HD2 LYS 40 - HB2 LYS 47 far 0 82 0 - 9.8-13.9 HD3 LYS 40 - HB2 LYS 47 far 0 84 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 2139 from cnoeabs.peaks (1.62, 1.97, 32.41 ppm; 3.05 A): 5 out of 29 assignments used, quality = 1.00: * HG3 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 73 + HB2 LYS 73 OK 75 75 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 74 74 100 100 2.5-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 38 38 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 38 38 100 100 2.5-3.0 2.9=100 HD3 LYS 39 - HB2 LYS 73 far 0 82 0 - 5.4-7.9 HD2 LYS 39 - HB2 LYS 73 far 0 62 0 - 5.4-8.3 HD3 LYS 94 - HB3 LYS 24 far 0 54 0 - 5.7-9.0 HD2 LYS 94 - HB3 LYS 24 far 0 69 0 - 6.2-8.2 HD3 LYS 39 - HB3 LYS 73 far 0 80 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 61 0 - 6.4-9.2 HG LEU 27 - HB3 LYS 24 far 0 54 0 - 6.5-7.5 HD3 LYS 94 - HB2 LYS 24 far 0 54 0 - 7.3-10.7 HD2 LYS 94 - HB2 LYS 24 far 0 69 0 - 7.4-9.9 HG3 LYS 90 - HB3 LYS 24 far 0 36 0 - 7.4-10.5 HG LEU 27 - HB2 LYS 24 far 0 54 0 - 7.6-8.7 HB ILE 76 - HB2 LYS 73 far 0 78 0 - 7.9-8.5 HG2 ARG 19 - HB3 LYS 24 far 0 37 0 - 7.9-10.3 HB3 LEU 29 - HB3 LYS 24 far 0 52 0 - 8.3-9.4 HG3 LYS 90 - HB2 LYS 24 far 0 36 0 - 8.4-11.6 HG2 LYS 68 - HB2 LYS 73 far 0 80 0 - 8.7-12.4 HG2 ARG 19 - HB2 LYS 24 far 0 37 0 - 8.8-10.8 HD2 LYS 68 - HB2 LYS 73 far 0 66 0 - 8.9-11.8 HB ILE 76 - HB3 LYS 73 far 0 77 0 - 9.0-9.8 HB3 LEU 29 - HB2 LYS 24 far 0 52 0 - 9.3-10.4 HG LEU 27 - HB2 MET 1 far 0 41 0 - 9.3-12.6 HB2 LEU 103 - HB2 MET 1 far 0 28 0 - 9.4-17.5 HB ILE 76 - HB2 LYS 47 far 0 90 0 - 9.6-12.3 HG2 LYS 68 - HB3 LYS 73 far 0 79 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2140 from cnoeabs.peaks (1.68, 1.97, 32.41 ppm; 2.95 A): 11 out of 37 assignments used, quality = 1.00: HD3 LYS 47 + HB2 LYS 47 OK 99 100 100 99 2.2-3.7 3.9=42, 6775/2134=14...(138) * HD2 LYS 47 + HB2 LYS 47 OK 99 100 100 99 2.6-3.9 3.9=42, 6774/2134=14...(138) HD2 LYS 73 + HB2 LYS 73 OK 87 87 100 99 2.9-3.3 3.6=56, 3298/2.9=19...(138) HD2 LYS 73 + HB3 LYS 73 OK 86 86 100 99 2.4-3.4 3.6=56, 3298/2.9=19...(133) HD3 LYS 73 + HB2 LYS 73 OK 85 86 100 100 2.8-3.8 3.6=56, 3298/2.9=19...(145) HD3 LYS 73 + HB3 LYS 73 OK 84 84 100 100 2.1-3.6 3.6=56, 3298/2.9=19...(142) HD2 LYS 24 + HB3 LYS 24 OK 63 63 100 99 2.2-4.2 3.6=57, ~1096=12...(126) HD2 LYS 24 + HB2 LYS 24 OK 63 63 100 99 2.0-3.7 3.6=57, ~1096=12...(125) HD3 LYS 24 + HB3 LYS 24 OK 62 62 100 99 2.2-3.6 3.6=57, ~1096=12...(124) HD3 LYS 24 + HB2 LYS 24 OK 62 62 100 99 2.1-4.2 3.6=57, ~1096=12...(123) HB3 LEU 70 + HB2 LYS 73 OK 33 57 85 68 4.0-4.6 3.0/10815=17, ~10813=11...(17) HG3 LYS 20 - HB2 LYS 24 far 0 69 0 - 4.9-7.5 HG3 LYS 20 - HB3 LYS 24 far 0 69 0 - 5.1-7.9 HD3 LYS 39 - HB2 LYS 73 far 0 50 0 - 5.4-7.9 HB3 LEU 70 - HB3 LYS 73 far 0 56 0 - 5.4-6.1 HD2 LYS 39 - HB2 LYS 73 far 0 72 0 - 5.4-8.3 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 44 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 83 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 49 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 71 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 69 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 69 0 - 6.7-9.0 HB ILE 52 - HB2 MET 1 far 0 52 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 69 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 69 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 82 0 - 7.5-8.3 HB ILE 76 - HB2 LYS 73 far 0 55 0 - 7.9-8.5 HB ILE 52 - HB2 LYS 47 far 0 99 0 - 7.9-10.9 HG2 LYS 68 - HB2 LYS 73 far 0 51 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 62 0 - 8.7-11.5 HD2 LYS 68 - HB2 LYS 73 far 0 69 0 - 8.9-11.8 HB ILE 76 - HB3 LYS 73 far 0 54 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 79 0 - 9.4-11.5 HB ILE 76 - HB2 LYS 47 far 0 65 0 - 9.6-12.3 HD3 LYS 90 - HB2 LYS 24 far 0 62 0 - 9.7-12.7 HG2 LYS 68 - HB3 LYS 73 far 0 50 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2141 from cnoeabs.peaks (1.68, 1.97, 32.41 ppm; 2.95 A): 11 out of 35 assignments used, quality = 1.00: * HD3 LYS 47 + HB2 LYS 47 OK 99 100 100 99 2.2-3.7 3.9=42, 6775/2134=14...(138) HD2 LYS 47 + HB2 LYS 47 OK 99 100 100 99 2.6-3.9 3.9=42, 6774/2134=14...(138) HD2 LYS 73 + HB2 LYS 73 OK 86 87 100 99 2.9-3.3 3.6=56, 3298/2.9=19...(138) HD2 LYS 73 + HB3 LYS 73 OK 85 85 100 99 2.4-3.4 3.6=56, 3298/2.9=19...(133) HD3 LYS 73 + HB2 LYS 73 OK 84 85 100 100 2.8-3.8 3.6=56, 3298/2.9=19...(145) HD3 LYS 73 + HB3 LYS 73 OK 83 84 100 99 2.1-3.6 3.6=56, 3298/2.9=19...(142) HD2 LYS 24 + HB3 LYS 24 OK 63 64 100 99 2.2-4.2 3.6=57, ~1096=12...(126) HD2 LYS 24 + HB2 LYS 24 OK 63 64 100 99 2.0-3.7 3.6=57, ~1096=12...(125) HD3 LYS 24 + HB3 LYS 24 OK 63 63 100 99 2.2-3.6 3.6=57, ~1096=12...(123) HD3 LYS 24 + HB2 LYS 24 OK 63 63 100 99 2.1-4.2 3.6=57, ~1096=12...(123) HB3 LEU 70 + HB2 LYS 73 OK 34 59 85 68 4.0-4.6 3.0/10815=17, ~10813=11...(17) HG3 LYS 20 - HB2 LYS 24 far 0 68 0 - 4.9-7.5 HG3 LYS 20 - HB3 LYS 24 far 0 68 0 - 5.1-7.9 HB3 LEU 70 - HB3 LYS 73 far 0 58 0 - 5.4-6.1 HD2 LYS 39 - HB2 LYS 73 far 0 71 0 - 5.4-8.3 HB3 LYS 53 - HB2 MET 1 far 0 54 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 45 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 84 0 - 6.0-6.8 HD2 LYS 39 - HB3 LYS 73 far 0 69 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 68 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 68 0 - 6.7-9.0 HB ILE 52 - HB2 MET 1 far 0 51 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 69 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 69 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 83 0 - 7.5-8.3 HB ILE 76 - HB2 LYS 73 far 0 53 0 - 7.9-8.5 HB ILE 52 - HB2 LYS 47 far 0 99 0 - 7.9-10.9 HG2 LYS 68 - HB2 LYS 73 far 0 50 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 63 0 - 8.7-11.5 HD2 LYS 68 - HB2 LYS 73 far 0 67 0 - 8.9-11.8 HB ILE 76 - HB3 LYS 73 far 0 52 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 80 0 - 9.4-11.5 HB ILE 76 - HB2 LYS 47 far 0 63 0 - 9.6-12.3 HD3 LYS 90 - HB2 LYS 24 far 0 63 0 - 9.7-12.7 HG2 LYS 68 - HB3 LYS 73 far 0 49 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2142 from cnoeabs.peaks (2.97, 1.97, 32.41 ppm; 4.05 A): 11 out of 16 assignments used, quality = 1.00: * HE2 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.2-4.6 4.9=57, 2211/2144=22...(131) HE3 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.0-4.3 4.9=57, 6.6/2134=22...(131) HE2 LYS 73 + HB2 LYS 73 OK 77 77 100 100 2.7-4.9 4.9=57, 7211/4.1=13...(132) HE2 LYS 73 + HB3 LYS 73 OK 75 75 100 100 3.6-4.1 4.9=57, 7211/4.1=13...(132) HE3 LYS 73 + HB2 LYS 73 OK 69 69 100 100 2.2-4.7 4.9=57, 7211/4.1=13...(129) HE3 LYS 73 + HB3 LYS 73 OK 68 68 100 100 2.5-4.5 4.9=57, 7211/4.1=13...(129) HE2 LYS 24 + HB3 LYS 24 OK 65 65 100 100 2.6-5.2 4.9=55, 12306/3.0=29...(119) HE2 LYS 24 + HB2 LYS 24 OK 65 65 100 100 2.5-5.1 4.9=55, 12306/3.0=29...(119) HE3 LYS 24 + HB3 LYS 24 OK 65 65 100 100 2.7-5.2 4.9=55, 12306/3.0=24...(118) HE3 LYS 24 + HB2 LYS 24 OK 65 65 100 100 3.0-4.7 4.9=55, 12306/3.0=24...(118) HB2 ASN 51 + HB2 MET 1 OK 36 37 100 96 3.0-5.3 9131/3.0=38, ~8006=34...(15) HG2 MET 21 - HB3 LYS 24 far 2 41 5 - 5.1-6.9 HB2 PHE 45 - HB2 LYS 47 far 0 99 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 100 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 24 far 0 36 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 2143 from cnoeabs.peaks (2.97, 1.97, 32.41 ppm; 4.05 A): 11 out of 16 assignments used, quality = 1.00: HE2 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.2-4.6 4.9=57, 2211/2144=22...(131) * HE3 LYS 47 + HB2 LYS 47 OK 100 100 100 100 2.0-4.3 4.9=57, 6.6/2134=22...(131) HE2 LYS 73 + HB2 LYS 73 OK 77 77 100 100 2.7-4.9 4.9=57, 7211/4.1=13...(132) HE2 LYS 73 + HB3 LYS 73 OK 75 75 100 100 3.6-4.1 4.9=57, 7211/4.1=13...(132) HE3 LYS 73 + HB2 LYS 73 OK 69 69 100 100 2.2-4.7 4.9=57, 7211/4.1=13...(129) HE3 LYS 73 + HB3 LYS 73 OK 68 68 100 100 2.5-4.5 4.9=57, 7211/4.1=13...(129) HE2 LYS 24 + HB3 LYS 24 OK 65 65 100 100 2.6-5.2 4.9=55, 12306/3.0=29...(119) HE2 LYS 24 + HB2 LYS 24 OK 65 65 100 100 2.5-5.1 4.9=55, 12306/3.0=29...(119) HE3 LYS 24 + HB3 LYS 24 OK 65 65 100 100 2.7-5.2 4.9=55, 12306/3.0=24...(118) HE3 LYS 24 + HB2 LYS 24 OK 65 65 100 100 3.0-4.7 4.9=55, 12306/3.0=24...(118) HB2 ASN 51 + HB2 MET 1 OK 36 37 100 96 3.0-5.3 9131/3.0=38, ~8006=34...(15) HG2 MET 21 - HB3 LYS 24 far 2 41 5 - 5.1-6.9 HB2 PHE 45 - HB2 LYS 47 far 0 99 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 100 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 41 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 24 far 0 36 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 2144 from cnoeabs.peaks (7.62, 1.97, 32.41 ppm; 3.64 A): 1 out of 6 assignments used, quality = 1.00: * H GLU 48 + HB2 LYS 47 OK 100 100 100 100 2.7-3.9 6782=78, 6783/1.8=73...(14) H GLU 44 - HB2 LYS 47 far 0 97 0 - 5.2-8.5 HE22 GLN 50 - HB2 MET 1 far 0 53 0 - 5.9-11.5 HE22 GLN 50 - HB2 LYS 47 far 0 99 0 - 7.2-12.9 H LYS 40 - HB2 LYS 73 far 0 84 0 - 8.6-9.8 H LYS 40 - HB3 LYS 73 far 0 83 0 - 9.8-11.1 Violated in 9 structures by 0.05 A. Peak 2145 from cnoeabs.peaks (3.94, 1.92, 32.41 ppm; 4.48 A): 2 out of 5 assignments used, quality = 1.00: * HA GLU 44 + HB3 LYS 47 OK 100 100 100 100 4.1-5.2 2133/1.8=77...(16) HB2 SER 97 + HB2 LYS 94 OK 53 89 65 92 4.7-6.8 4349/3.0=66, ~4355=51...(6) HA ALA 89 - HB2 LYS 94 far 0 56 0 - 8.1-10.0 HB2 SER 97 - HB2 MET 1 far 0 71 0 - 8.5-12.7 HA TYR 41 - HB3 LYS 47 far 0 99 0 - 9.7-11.1 Violated in 5 structures by 0.04 A. Peak 2146 from cnoeabs.peaks (7.47, 1.92, 32.41 ppm; 3.55 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.3-3.6 2134/1.8=74, 4.0=67...(25) H ARG 91 - HB2 LYS 94 far 0 93 0 - 5.2-7.3 HE ARG 46 - HB3 LYS 47 far 0 100 0 - 5.8-8.2 H ILE 52 - HB2 MET 1 far 0 62 0 - 6.2-7.7 HE ARG 19 - HB3 LYS 20 far 0 76 0 - 6.8-10.2 H ILE 52 - HB3 LYS 47 far 0 90 0 - 9.4-11.0 H ARG 91 - HB3 LYS 20 far 0 87 0 - 9.5-11.5 Violated in 2 structures by 0.00 A. Peak 2147 from cnoeabs.peaks (4.14, 1.92, 32.41 ppm; 3.26 A): 2 out of 7 assignments used, quality = 1.00: * HA LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.6-3.0 3.0=100 HA MET 1 + HB2 MET 1 OK 70 70 100 100 2.2-3.0 3.0=100 HA GLU 104 - HB2 LYS 94 far 0 85 0 - 6.4-18.7 HA GLU 23 - HB3 LYS 20 far 0 87 0 - 7.2-7.6 HA GLU 99 - HB2 MET 1 far 0 65 0 - 8.0-11.4 HA GLU 99 - HB2 LYS 94 far 0 82 0 - 9.2-11.0 HA GLU 23 - HB2 LYS 94 far 0 93 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 2148 from cnoeabs.peaks (1.97, 1.92, 32.41 ppm; 2.40 A): 3 out of 19 assignments used, quality = 1.00: * HB2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 1 + HB2 MET 1 OK 46 46 100 100 1.8-1.8 1.8=100 QE MET 1 + HB2 MET 1 OK 38 74 100 51 1.8-2.7 4.2=18, 37/3.0=16...(6) HB2 LYS 24 - HB3 LYS 20 far 4 87 5 - 3.8-5.2 HB3 LYS 24 - HB3 LYS 20 far 0 87 0 - 4.2-5.8 HB2 ARG 46 - HB3 LYS 47 far 0 100 0 - 4.6-7.4 HB3 GLU 44 - HB3 LYS 47 far 0 73 0 - 5.3-7.5 HB3 ARG 46 - HB3 LYS 47 far 0 99 0 - 5.4-7.3 HB3 ARG 19 - HB3 LYS 20 far 0 46 0 - 5.4-7.0 HB2 GLU 17 - HB3 LYS 20 far 0 66 0 - 5.4-8.0 HB3 GLU 17 - HB3 LYS 20 far 0 48 0 - 5.7-7.7 HB2 GLU 44 - HB3 LYS 47 far 0 73 0 - 5.8-7.7 HB3 LYS 24 - HB2 LYS 94 far 0 92 0 - 6.1-10.5 HB2 LYS 24 - HB2 LYS 94 far 0 92 0 - 7.7-11.6 QE MET 74 - HB3 LYS 47 far 0 71 0 - 8.8-10.8 HB3 MET 74 - HB3 LYS 47 far 0 100 0 - 9.3-11.3 HB3 LYS 20 - HB2 LYS 94 far 0 60 0 - 9.4-12.8 HB3 GLU 17 - HB2 LYS 94 far 0 52 0 - 9.5-12.4 HB2 GLU 17 - HB2 LYS 94 far 0 72 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 2149 from cnoeabs.peaks (1.92, 1.92, 32.41 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 47 + HB3 LYS 47 OK 100 100 - 100 HB2 LYS 94 + HB2 LYS 94 OK 93 93 - 100 HB3 LYS 20 + HB3 LYS 20 OK 85 85 - 100 HB2 MET 1 + HB2 MET 1 OK 68 68 - 100 Peak 2150 from cnoeabs.peaks (1.49, 1.92, 32.41 ppm; 3.40 A): 2 out of 19 assignments used, quality = 1.00: * HG2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 20 + HB3 LYS 20 OK 55 55 100 100 2.8-3.0 3.0=100 HG2 LYS 53 - HB2 MET 1 far 0 54 0 - 5.1-6.6 HG3 LYS 53 - HB2 MET 1 far 0 61 0 - 5.1-7.9 HB2 ARG 91 - HB2 LYS 94 far 0 93 0 - 5.4-8.1 HG3 LYS 24 - HB3 LYS 20 far 0 79 0 - 5.5-7.6 HG3 LYS 24 - HB2 LYS 94 far 0 85 0 - 5.9-10.5 HG LEU 2 - HB2 MET 1 far 0 60 0 - 6.0-7.9 HG3 ARG 91 - HB2 LYS 94 far 0 51 0 - 6.1-8.3 HD2 LYS 53 - HB2 MET 1 far 0 49 0 - 7.0-8.7 HB3 LEU 103 - HB2 LYS 94 far 0 63 0 - 7.6-19.1 HG13 ILE 52 - HB2 MET 1 far 0 46 0 - 7.6-9.5 HG13 ILE 52 - HB3 LYS 47 far 0 70 0 - 7.8-10.5 HB2 LEU 27 - HB2 LYS 94 far 0 60 0 - 8.1-11.3 HG LEU 2 - HB3 LYS 47 far 0 87 0 - 8.9-11.1 HB2 LEU 27 - HB3 LYS 20 far 0 55 0 - 9.4-10.4 HG2 LYS 20 - HB2 LYS 94 far 0 60 0 - 9.5-14.4 HG LEU 57 - HB2 LYS 94 far 0 91 0 - 9.5-10.8 HD3 LYS 40 - HB3 LYS 47 far 0 84 0 - 9.8-14.4 Violated in 0 structures by 0.00 A. Peak 2151 from cnoeabs.peaks (1.62, 1.92, 32.41 ppm; 3.23 A): 3 out of 18 assignments used, quality = 1.00: * HG3 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 94 + HB2 LYS 94 OK 92 93 100 99 2.0-3.9 3.5=80, 4235/2.9=18...(43) HD3 LYS 94 + HB2 LYS 94 OK 75 76 100 99 2.0-3.8 3.5=80, ~4175=15...(43) HG2 ARG 19 - HB3 LYS 20 far 5 49 10 - 4.7-8.3 HG2 LYS 24 - HB2 LYS 94 far 0 56 0 - 5.3-10.8 HG2 LYS 24 - HB3 LYS 20 far 0 51 0 - 5.5-7.8 HG3 LYS 90 - HB3 LYS 20 far 0 48 0 - 5.6-9.7 HG3 LYS 90 - HB2 LYS 94 far 0 52 0 - 6.6-9.7 HG LEU 27 - HB2 LYS 94 far 0 76 0 - 7.0-10.1 HB3 LEU 29 - HB3 LYS 20 far 0 67 0 - 7.9-9.5 HD2 LYS 94 - HB3 LYS 20 far 0 87 0 - 8.6-10.6 HD3 LYS 94 - HB3 LYS 20 far 0 70 0 - 8.9-10.8 HB2 LEU 103 - HB2 LYS 94 far 0 54 0 - 8.9-18.9 HG LEU 27 - HB2 MET 1 far 0 60 0 - 9.3-12.6 HB2 LEU 103 - HB2 MET 1 far 0 41 0 - 9.4-17.5 HB3 LEU 29 - HB2 LYS 94 far 0 73 0 - 9.6-13.4 HG LEU 27 - HB3 LYS 20 far 0 70 0 - 9.7-11.1 HB ILE 76 - HB3 LYS 47 far 0 90 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 2152 from cnoeabs.peaks (1.68, 1.92, 32.41 ppm; 3.21 A): 5 out of 19 assignments used, quality = 1.00: HD3 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.1-3.8 3.9=54, 6775/2146=17...(140) * HD2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.5-3.9 3.9=54, 6774/2146=17...(140) HG3 LYS 20 + HB3 LYS 20 OK 87 87 100 100 2.2-2.4 3.0=100 HD2 LYS 20 + HB3 LYS 20 OK 87 87 100 99 3.3-4.1 3.5=75, 6311/4.0=12...(92) HD3 LYS 20 + HB3 LYS 20 OK 86 87 100 99 2.7-4.1 3.5=75, 6311/4.0=12...(92) HB3 ARG 91 - HB2 LYS 94 far 5 93 5 - 4.5-7.7 HD3 LYS 24 - HB3 LYS 20 far 4 80 5 - 4.4-8.9 HD2 LYS 24 - HB3 LYS 20 far 0 81 0 - 5.0-8.4 HD2 LYS 24 - HB2 LYS 94 far 0 87 0 - 5.2-11.0 HD3 LYS 24 - HB2 LYS 94 far 0 86 0 - 5.6-12.0 HB3 LYS 53 - HB2 MET 1 far 0 75 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 63 0 - 5.9-7.0 HD3 LYS 90 - HB3 LYS 20 far 0 80 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 73 0 - 7.0-8.7 HD3 LYS 90 - HB2 LYS 94 far 0 86 0 - 7.4-10.3 HB ILE 52 - HB3 LYS 47 far 0 99 0 - 7.6-10.2 HG3 LYS 20 - HB2 LYS 94 far 0 92 0 - 8.8-12.9 HB2 LEU 2 - HB3 LYS 47 far 0 91 0 - 9.0-13.4 HB ILE 76 - HB3 LYS 47 far 0 65 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 2153 from cnoeabs.peaks (1.68, 1.92, 32.41 ppm; 3.21 A): 5 out of 19 assignments used, quality = 1.00: * HD3 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.1-3.8 3.9=54, 6775/2146=17...(140) HD2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.5-3.9 3.9=54, 6774/2146=17...(140) HD2 LYS 20 + HB3 LYS 20 OK 86 87 100 99 3.3-4.1 3.5=75, 6311/4.0=12...(92) HG3 LYS 20 + HB3 LYS 20 OK 86 86 100 100 2.2-2.4 3.0=100 HD3 LYS 20 + HB3 LYS 20 OK 85 86 100 99 2.7-4.1 3.5=75, 6311/4.0=12...(92) HB3 ARG 91 - HB2 LYS 94 far 5 93 5 - 4.5-7.7 HD3 LYS 24 - HB3 LYS 20 far 4 81 5 - 4.4-8.9 HD2 LYS 24 - HB3 LYS 20 far 0 82 0 - 5.0-8.4 HD2 LYS 24 - HB2 LYS 94 far 0 88 0 - 5.2-11.0 HD3 LYS 24 - HB2 LYS 94 far 0 87 0 - 5.6-12.0 HB3 LYS 53 - HB2 MET 1 far 0 76 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 65 0 - 5.9-7.0 HD3 LYS 90 - HB3 LYS 20 far 0 81 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 73 0 - 7.0-8.7 HD3 LYS 90 - HB2 LYS 94 far 0 87 0 - 7.4-10.3 HB ILE 52 - HB3 LYS 47 far 0 99 0 - 7.6-10.2 HG3 LYS 20 - HB2 LYS 94 far 0 92 0 - 8.8-12.9 HB2 LEU 2 - HB3 LYS 47 far 0 92 0 - 9.0-13.4 HB ILE 76 - HB3 LYS 47 far 0 63 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 2154 from cnoeabs.peaks (2.97, 1.92, 32.41 ppm; 4.36 A): 4 out of 13 assignments used, quality = 1.00: * HE2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.0-3.5 4.9=72, 6.6/2146=27...(126) HE3 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.1-4.4 4.9=72, 6.6/2146=27...(126) HB2 ASN 51 + HB2 MET 1 OK 53 54 100 98 3.0-5.3 9131/3.0=44, ~8006=39...(16) HG2 MET 21 + HB2 LYS 94 OK 40 60 75 90 4.7-7.9 8534/7513=33, ~995=20...(19) HE3 LYS 24 - HB2 LYS 94 far 9 89 10 - 4.0-12.3 HE2 LYS 24 - HB2 LYS 94 far 9 89 10 - 5.3-12.1 HE2 LYS 24 - HB3 LYS 20 far 8 83 10 - 5.5-9.2 HG2 MET 21 - HB3 LYS 20 far 3 55 5 - 5.8-7.4 HE3 LYS 24 - HB3 LYS 20 far 0 83 0 - 6.2-8.6 HB2 PHE 45 - HB3 LYS 47 far 0 99 0 - 6.2-8.4 HB3 PHE 45 - HB3 LYS 47 far 0 100 0 - 6.3-8.6 HE3 LYS 90 - HB3 LYS 20 far 0 48 0 - 7.0-10.5 HE3 LYS 90 - HB2 LYS 94 far 0 52 0 - 7.4-11.8 Violated in 0 structures by 0.00 A. Peak 2155 from cnoeabs.peaks (2.97, 1.92, 32.41 ppm; 4.36 A): 4 out of 13 assignments used, quality = 1.00: HE2 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.0-3.5 4.9=72, 6.6/2146=27...(126) * HE3 LYS 47 + HB3 LYS 47 OK 100 100 100 100 2.1-4.4 4.9=72, 6.6/2146=27...(126) HB2 ASN 51 + HB2 MET 1 OK 53 54 100 98 3.0-5.3 9131/3.0=44, ~8006=39...(16) HG2 MET 21 + HB2 LYS 94 OK 40 60 75 90 4.7-7.9 8534/7513=33, ~995=20...(19) HE3 LYS 24 - HB2 LYS 94 far 9 89 10 - 4.0-12.3 HE2 LYS 24 - HB2 LYS 94 far 9 89 10 - 5.3-12.1 HE2 LYS 24 - HB3 LYS 20 far 8 83 10 - 5.5-9.2 HG2 MET 21 - HB3 LYS 20 far 3 55 5 - 5.8-7.4 HE3 LYS 24 - HB3 LYS 20 far 0 83 0 - 6.2-8.6 HB2 PHE 45 - HB3 LYS 47 far 0 99 0 - 6.2-8.4 HB3 PHE 45 - HB3 LYS 47 far 0 100 0 - 6.3-8.6 HE3 LYS 90 - HB3 LYS 20 far 0 48 0 - 7.0-10.5 HE3 LYS 90 - HB2 LYS 94 far 0 52 0 - 7.4-11.8 Violated in 0 structures by 0.00 A. Peak 2156 from cnoeabs.peaks (7.62, 1.92, 32.41 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 48 + HB3 LYS 47 OK 100 100 100 100 2.5-3.8 6783=100, 6780/2146=71...(14) HE22 GLN 50 - HB2 MET 1 far 0 74 0 - 5.9-11.5 H GLU 44 - HB3 LYS 47 far 0 97 0 - 6.4-7.7 HE22 GLN 50 - HB3 LYS 47 far 0 99 0 - 6.9-13.0 Violated in 0 structures by 0.00 A. Peak 2157 from cnoeabs.peaks (7.47, 1.49, 25.00 ppm; 4.10 A): 3 out of 7 assignments used, quality = 1.00: * H LYS 47 + HG2 LYS 47 OK 100 100 100 100 1.9-4.1 6772=100, 6773/1.8=92...(36) H ILE 52 + HG2 LYS 53 OK 39 50 95 82 4.7-7.4 4.0/10852=49, 6863=22...(10) HE ARG 46 + HG2 LYS 47 OK 22 100 60 37 3.8-8.1 3.6/10178=12, 2168/1.8=9...(7) HE22 GLN 72 - HG2 LYS 73 far 4 75 5 - 4.7-8.5 H ILE 52 - HG3 LYS 53 far 0 62 0 - 6.1-7.3 HD22 ASN 26 - HG3 LYS 24 far 0 88 0 - 6.7-9.1 HE ARG 19 - HG3 LYS 33 far 0 76 0 - 9.5-14.8 Violated in 0 structures by 0.00 A. Peak 2158 from cnoeabs.peaks (4.14, 1.49, 25.00 ppm; 3.21 A): 3 out of 11 assignments used, quality = 1.00: * HA LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.4-3.4 2126=61, 2.9/6772=41...(59) HA LYS 13 + HG3 LYS 13 OK 97 97 100 100 3.9-4.2 486=85, 518/1.8=49...(39) HA LYS 73 + HG2 LYS 73 OK 79 81 100 98 2.5-3.3 4.1=49, 3.0/7207=40...(44) HA GLN 72 - HG2 LYS 73 far 0 98 0 - 5.4-6.0 HA MET 1 - HG2 LYS 53 far 0 58 0 - 6.0-7.7 HA MET 1 - HG3 LYS 53 far 0 70 0 - 6.3-8.7 HA GLU 23 - HG3 LYS 24 far 0 88 0 - 6.6-7.8 HA GLU 99 - HG3 LYS 53 far 0 64 0 - 7.2-9.8 HA GLU 99 - HG2 LYS 53 far 0 52 0 - 8.1-11.3 HB2 SER 59 - HG3 LYS 13 far 0 95 0 - 8.9-10.8 HA GLU 104 - HG3 LYS 53 far 0 67 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 2159 from cnoeabs.peaks (1.97, 1.49, 25.00 ppm; 3.07 A): 8 out of 31 assignments used, quality = 1.00: * HB2 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 73 + HG2 LYS 73 OK 98 98 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 98 98 100 100 2.5-3.0 2.9=100 HB2 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.2-3.0 2.9=100 HB3 LYS 24 + HG3 LYS 24 OK 88 88 100 100 2.4-3.0 2.9=100 QE MET 1 + HG3 LYS 53 OK 62 74 95 88 2.3-4.8 8027/3.0=32...(21) QE MET 1 + HG2 LYS 53 OK 55 61 100 89 2.0-3.9 8027/3.0=32...(24) HB2 GLU 37 + HG3 LYS 33 OK 42 86 80 62 2.9-4.7 8752/6535=25...(9) HB3 GLU 44 - HG2 LYS 47 far 11 73 15 - 4.4-8.4 QE MET 74 - HG2 LYS 73 far 11 71 15 - 4.3-6.7 HB3 ARG 46 - HG2 LYS 47 far 10 99 10 - 3.9-7.0 HB2 ARG 46 - HG2 LYS 47 poor 9 100 25 38 3.5-7.4 4.7/6772=22, 3.0/10178=7...(6) HB3 MET 1 - HG2 LYS 53 far 4 36 10 - 4.2-6.6 HB3 MET 1 - HG3 LYS 53 far 0 45 0 - 4.6-7.4 HB VAL 32 - HG3 LYS 33 far 0 65 0 - 4.9-5.4 HB2 GLU 44 - HG2 LYS 47 far 0 73 0 - 5.0-9.2 HB2 MET 1 - HG2 LYS 53 far 0 45 0 - 5.1-6.6 HB2 MET 1 - HG3 LYS 53 far 0 55 0 - 5.1-7.9 HB3 LYS 20 - HG3 LYS 24 far 0 55 0 - 5.5-7.6 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 6.3-8.2 HB3 GLU 17 - HG3 LYS 13 far 0 60 0 - 6.5-9.5 HB2 GLU 17 - HG3 LYS 13 far 0 80 0 - 7.0-9.5 QE MET 74 - HG2 LYS 47 far 0 71 0 - 7.3-10.4 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 7.8-11.5 HB3 ARG 46 - HG2 LYS 53 far 0 61 0 - 8.9-14.4 HB2 GLU 35 - HG3 LYS 33 far 0 46 0 - 9.2-10.1 HB2 ARG 46 - HG2 LYS 53 far 0 62 0 - 9.5-14.4 HB2 GLU 35 - HG2 LYS 73 far 0 59 0 - 9.5-12.0 HB3 GLU 17 - HG3 LYS 24 far 0 48 0 - 9.7-12.2 HG3 GLU 88 - HG3 LYS 13 far 0 83 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 67 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 2160 from cnoeabs.peaks (1.92, 1.49, 25.00 ppm; 2.75 A): 9 out of 29 assignments used, quality = 1.00: * HB3 LYS 47 + HG2 LYS 47 OK 98 100 100 98 2.3-3.0 3.0=80, 2146/6772=25...(69) HB2 LYS 13 + HG3 LYS 13 OK 96 98 100 98 2.2-2.8 3.0=80, 3.0/486=34...(48) HB3 LYS 13 + HG3 LYS 13 OK 96 98 100 98 2.2-3.0 3.0=80, 3.0/486=34...(48) HB2 LYS 33 + HG3 LYS 33 OK 86 87 100 99 2.9-3.0 2.8=90, 3.0/1418=32...(37) HB3 LYS 33 + HG3 LYS 33 OK 85 86 100 99 2.5-2.7 2.8=90, 3.0/1418=32...(36) HB3 LYS 73 + HG2 LYS 73 OK 72 73 100 98 2.5-3.0 2.9=83, 3.0/3231=22...(62) HB2 LYS 73 + HG2 LYS 73 OK 70 71 100 98 2.3-3.0 2.9=83, 3.0/3231=22...(62) HB3 LYS 24 + HG3 LYS 24 OK 47 48 100 97 2.4-3.0 2.9=82, 3.0/1096=25...(62) HB2 LYS 24 + HG3 LYS 24 OK 47 48 100 97 2.2-3.0 2.9=82, 3.0/1096=25...(62) HB3 LEU 14 - HG3 LYS 13 far 13 88 15 - 3.8-5.1 HB2 GLU 43 - HG2 LYS 47 far 5 94 5 - 4.2-8.7 HB3 ARG 46 - HG2 LYS 47 far 3 68 5 - 3.9-7.0 HB VAL 32 - HG3 LYS 33 far 0 81 0 - 4.9-5.4 HB2 MET 1 - HG2 LYS 53 far 0 55 0 - 5.1-6.6 HB2 MET 1 - HG3 LYS 53 far 0 67 0 - 5.1-7.9 HB3 LYS 20 - HG3 LYS 24 far 0 86 0 - 5.5-7.6 HB2 LYS 94 - HG3 LYS 24 far 0 89 0 - 5.9-10.5 HB VAL 54 - HG3 LYS 53 far 0 38 0 - 6.0-8.3 HB3 MET 74 - HG2 LYS 73 far 0 61 0 - 6.3-8.2 HB VAL 54 - HG2 LYS 53 far 0 30 0 - 6.9-7.9 HB2 LYS 20 - HG3 LYS 24 far 0 54 0 - 7.0-9.1 HB2 GLU 17 - HG3 LYS 13 far 0 93 0 - 7.0-9.5 HB3 MET 74 - HG2 LYS 47 far 0 61 0 - 7.8-11.5 HB ILE 8 - HG3 LYS 33 far 0 63 0 - 8.2-9.3 HB3 ARG 46 - HG2 LYS 53 far 0 35 0 - 8.9-14.4 HG LEU 42 - HG2 LYS 73 far 0 81 0 - 9.0-11.8 HG LEU 42 - HG2 LYS 47 far 0 81 0 - 9.6-13.8 HG3 GLU 88 - HG3 LYS 13 far 0 91 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 80 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 2161 from cnoeabs.peaks (1.49, 1.49, 25.00 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG2 LYS 47 + HG2 LYS 47 OK 100 100 - 100 HG2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 HG3 LYS 13 + HG3 LYS 13 OK 99 99 - 100 HG3 LYS 33 + HG3 LYS 33 OK 83 83 - 100 HG3 LYS 24 + HG3 LYS 24 OK 80 80 - 100 HG3 LYS 53 + HG3 LYS 53 OK 61 61 - 100 HG2 LYS 53 + HG2 LYS 53 OK 44 44 - 100 Peak 2162 from cnoeabs.peaks (1.62, 1.49, 25.00 ppm; 2.40 A): 3 out of 31 assignments used, quality = 1.00: * HG3 LYS 47 + HG2 LYS 47 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 + HG2 LYS 73 OK 87 87 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 52 52 100 100 1.8-1.8 1.8=100 HD2 LYS 94 - HG3 LYS 24 far 0 89 0 - 5.1-8.9 HD3 LYS 94 - HG3 LYS 24 far 0 71 0 - 5.1-9.7 HG3 LYS 12 - HG3 LYS 13 far 0 79 0 - 5.6-7.8 HB2 ARG 79 - HG3 LYS 53 far 0 62 0 - 6.1-9.5 HG LEU 27 - HG3 LYS 24 far 0 71 0 - 6.1-9.2 HD2 LYS 39 - HG2 LYS 73 far 0 73 0 - 6.3-10.8 HD3 LYS 39 - HG2 LYS 73 far 0 93 0 - 6.6-9.6 HB3 ARG 79 - HG3 LYS 53 far 0 48 0 - 6.7-9.3 HB2 LEU 103 - HG3 LYS 53 far 0 41 0 - 6.9-13.0 HB3 ARG 79 - HG2 LYS 53 far 0 39 0 - 7.1-10.3 HB2 ARG 30 - HG3 LYS 33 far 0 77 0 - 7.3-10.0 HB2 LEU 103 - HG2 LYS 53 far 0 33 0 - 7.3-13.6 HG2 LYS 68 - HG2 LYS 73 far 0 92 0 - 7.4-11.6 HB2 ARG 79 - HG2 LYS 53 far 0 50 0 - 7.5-10.4 HG3 LYS 90 - HG3 LYS 24 far 0 48 0 - 8.2-12.4 HD2 LYS 68 - HG2 LYS 73 far 0 77 0 - 8.2-10.3 HG3 LYS 90 - HG3 LYS 13 far 0 60 0 - 8.4-12.6 HB ILE 76 - HG2 LYS 53 far 0 50 0 - 8.4-10.4 HB2 LYS 40 - HG3 LYS 33 far 0 71 0 - 8.5-10.0 HB ILE 76 - HG3 LYS 53 far 0 62 0 - 8.9-11.2 HB ILE 76 - HG2 LYS 73 far 0 89 0 - 9.0-10.4 HB ILE 76 - HG2 LYS 47 far 0 90 0 - 9.2-12.9 HG LEU 27 - HG3 LYS 53 far 0 59 0 - 9.3-10.7 HD2 LYS 66 - HG2 LYS 73 far 0 91 0 - 9.5-12.5 HB3 LEU 29 - HG3 LYS 24 far 0 69 0 - 9.6-12.0 HB3 LEU 6 - HG3 LYS 33 far 0 68 0 - 9.8-11.5 HG LEU 27 - HG2 LYS 53 far 0 48 0 - 9.9-11.3 HD3 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2163 from cnoeabs.peaks (1.68, 1.49, 25.00 ppm; 2.40 A): 10 out of 45 assignments used, quality = 1.00: HD3 LYS 47 + HG2 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 2195/1.8=10...(56) * HD2 LYS 47 + HG2 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 2195/1.8=10...(56) HD2 LYS 73 + HG2 LYS 73 OK 89 98 100 92 2.3-3.0 3.0=54, 3298/1.8=20...(50) HD3 LYS 73 + HG2 LYS 73 OK 89 96 100 93 2.5-3.0 3.0=54, 3298/1.8=20...(57) HD2 LYS 13 + HG3 LYS 13 OK 78 90 100 87 2.4-3.0 3.0=54, 487/486=9...(44) HD3 LYS 13 + HG3 LYS 13 OK 76 88 100 87 2.4-3.0 3.0=54, 5.5/486=8...(41) HD2 LYS 24 + HG3 LYS 24 OK 74 82 100 90 2.2-3.0 3.0=54, 1110/1.8=10...(46) HD3 LYS 24 + HG3 LYS 24 OK 73 81 100 91 2.6-3.0 3.0=54, 1110/1.8=10...(47) HB3 LYS 53 + HG3 LYS 53 OK 68 75 100 90 2.4-3.0 3.0=53, 2451/3.0=27...(27) HB3 LYS 53 + HG2 LYS 53 OK 56 62 100 90 2.4-3.0 3.0=53, 2451/3.0=27...(27) HG2 PRO 86 - HG3 LYS 13 far 0 97 0 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 67 0 - 4.5-6.5 HB2 LEU 2 - HG2 LYS 53 far 0 51 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 60 0 - 4.9-8.4 HG LEU 70 - HG2 LYS 73 far 0 94 0 - 5.7-7.5 HB2 LEU 2 - HG3 LYS 53 far 0 63 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 5.8-8.1 HG3 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.2-9.8 HD2 LYS 39 - HG2 LYS 73 far 0 84 0 - 6.3-10.8 HD3 LYS 39 - HG2 LYS 73 far 0 59 0 - 6.6-9.6 HB3 ARG 79 - HG3 LYS 53 far 0 57 0 - 6.7-9.3 HD3 LYS 12 - HG3 LYS 13 far 0 90 0 - 7.1-9.6 HB3 ARG 79 - HG2 LYS 53 far 0 46 0 - 7.1-10.3 HD2 LYS 12 - HG3 LYS 13 far 0 90 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 88 0 - 7.3-11.3 HG2 LYS 68 - HG2 LYS 73 far 0 61 0 - 7.4-11.6 HG12 ILE 15 - HG3 LYS 13 far 0 96 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 88 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 91 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 88 0 - 8.2-11.1 HD2 LYS 68 - HG2 LYS 73 far 0 81 0 - 8.2-10.3 HD3 LYS 90 - HG3 LYS 13 far 0 94 0 - 8.3-12.4 HB ILE 76 - HG2 LYS 53 far 0 34 0 - 8.4-10.4 HB2 LYS 40 - HG3 LYS 33 far 0 55 0 - 8.5-10.0 HB ILE 76 - HG3 LYS 53 far 0 42 0 - 8.9-11.2 HB ILE 52 - HG2 LYS 47 far 0 99 0 - 9.0-12.4 HB ILE 76 - HG2 LYS 73 far 0 65 0 - 9.0-10.4 HD3 LYS 90 - HG3 LYS 24 far 0 81 0 - 9.1-13.1 HB ILE 76 - HG2 LYS 47 far 0 65 0 - 9.2-12.9 HG12 ILE 15 - HG3 LYS 33 far 0 83 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 76 0 - 9.7-13.2 HB3 LEU 6 - HG3 LYS 33 far 0 58 0 - 9.8-11.5 HD3 LYS 68 - HG2 LYS 73 far 0 79 0 - 9.9-11.4 HD2 LYS 20 - HG3 LYS 13 far 0 99 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 76 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 2164 from cnoeabs.peaks (1.68, 1.49, 25.00 ppm; 2.40 A): 10 out of 44 assignments used, quality = 1.00: * HD3 LYS 47 + HG2 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 2195/1.8=10...(56) HD2 LYS 47 + HG2 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 2195/1.8=10...(56) HD2 LYS 73 + HG2 LYS 73 OK 89 97 100 92 2.3-3.0 3.0=54, 3298/1.8=20...(50) HD3 LYS 73 + HG2 LYS 73 OK 88 96 100 92 2.5-3.0 3.0=54, 3298/1.8=20...(57) HD2 LYS 13 + HG3 LYS 13 OK 79 91 100 87 2.4-3.0 3.0=54, 487/486=9...(44) HD3 LYS 13 + HG3 LYS 13 OK 77 89 100 87 2.4-3.0 3.0=54, 5.5/486=8...(41) HD2 LYS 24 + HG3 LYS 24 OK 75 83 100 91 2.2-3.0 3.0=54, 1110/1.8=11...(46) HD3 LYS 24 + HG3 LYS 24 OK 74 82 100 91 2.6-3.0 3.0=54, 1110/1.8=11...(47) HB3 LYS 53 + HG3 LYS 53 OK 68 75 100 90 2.4-3.0 3.0=53, 2451/3.0=27...(27) HB3 LYS 53 + HG2 LYS 53 OK 56 62 100 90 2.4-3.0 3.0=53, 2451/3.0=27...(27) HG2 PRO 86 - HG3 LYS 13 far 0 97 0 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 69 0 - 4.5-6.5 HB2 LEU 2 - HG2 LYS 53 far 0 52 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 59 0 - 4.9-8.4 HG LEU 70 - HG2 LYS 73 far 0 95 0 - 5.7-7.5 HB2 LEU 2 - HG3 LYS 53 far 0 64 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 72 0 - 5.8-8.1 HG3 LYS 20 - HG3 LYS 24 far 0 87 0 - 6.2-9.8 HD2 LYS 39 - HG2 LYS 73 far 0 82 0 - 6.3-10.8 HB3 ARG 79 - HG3 LYS 53 far 0 55 0 - 6.7-9.3 HD3 LYS 12 - HG3 LYS 13 far 0 91 0 - 7.1-9.6 HB3 ARG 79 - HG2 LYS 53 far 0 45 0 - 7.1-10.3 HD2 LYS 12 - HG3 LYS 13 far 0 91 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 87 0 - 7.3-11.3 HG2 LYS 68 - HG2 LYS 73 far 0 59 0 - 7.4-11.6 HG12 ILE 15 - HG3 LYS 13 far 0 97 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 88 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 92 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 88 0 - 8.2-11.1 HD2 LYS 68 - HG2 LYS 73 far 0 79 0 - 8.2-10.3 HD3 LYS 90 - HG3 LYS 13 far 0 95 0 - 8.3-12.4 HB ILE 76 - HG2 LYS 53 far 0 33 0 - 8.4-10.4 HB2 LYS 40 - HG3 LYS 33 far 0 53 0 - 8.5-10.0 HB ILE 76 - HG3 LYS 53 far 0 41 0 - 8.9-11.2 HB ILE 52 - HG2 LYS 47 far 0 99 0 - 9.0-12.4 HB ILE 76 - HG2 LYS 73 far 0 63 0 - 9.0-10.4 HD3 LYS 90 - HG3 LYS 24 far 0 82 0 - 9.1-13.1 HB ILE 76 - HG2 LYS 47 far 0 63 0 - 9.2-12.9 HG12 ILE 15 - HG3 LYS 33 far 0 84 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 77 0 - 9.7-13.2 HB3 LEU 6 - HG3 LYS 33 far 0 57 0 - 9.8-11.5 HD3 LYS 68 - HG2 LYS 73 far 0 77 0 - 9.9-11.4 HD2 LYS 20 - HG3 LYS 13 far 0 99 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 77 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 2165 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.36 A): 9 out of 25 assignments used, quality = 1.00: * HE2 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.4-4.0 3.8=71, 2206/1.8=17...(121) HE3 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.3-3.8 3.8=71, 2206/1.8=17...(121) HE2 LYS 13 + HG3 LYS 13 OK 94 96 100 99 2.1-3.6 3.8=68, 474/1.8=20...(74) HE3 LYS 13 + HG3 LYS 13 OK 93 94 100 99 2.0-3.6 3.8=68, 474/1.8=20...(74) HE2 LYS 73 + HG2 LYS 73 OK 87 88 100 99 2.1-4.0 4.0=59, 3.0/3297=15...(111) HE2 LYS 24 + HG3 LYS 24 OK 84 84 100 99 2.0-3.9 3.7=74, 12306/3.7=17...(103) HE3 LYS 24 + HG3 LYS 24 OK 84 84 100 99 2.2-3.9 3.7=74, 12306/3.7=14...(103) HE3 LYS 73 + HG2 LYS 73 OK 80 81 100 99 2.2-3.7 4.0=59, 3.0/3297=15...(108) HB3 ASP 11 + HG3 LYS 13 OK 50 90 100 55 2.9-4.2 8365/3.0=11, 1.8/8363=11...(11) HB2 ASN 51 - HG2 LYS 53 far 0 44 0 - 5.1-7.6 HB2 ASN 51 - HG3 LYS 53 far 0 54 0 - 5.9-8.4 HB3 PHE 45 - HG2 LYS 47 far 0 100 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 99 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 55 0 - 6.7-8.8 HB2 SER 9 - HG3 LYS 13 far 0 93 0 - 7.0-9.4 HB2 PHE 45 - HG2 LYS 53 far 0 61 0 - 7.8-10.9 HE3 LYS 90 - HG3 LYS 13 far 0 60 0 - 7.9-12.9 HB3 PHE 45 - HG2 LYS 53 far 0 61 0 - 8.0-9.9 HE2 LYS 12 - HG3 LYS 13 far 0 70 0 - 8.1-10.3 HE3 LYS 12 - HG3 LYS 13 far 0 98 0 - 8.6-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 74 0 - 8.8-11.1 HE2 LYS 12 - HG3 LYS 33 far 0 57 0 - 8.8-13.8 HE3 LYS 12 - HG3 LYS 33 far 0 86 0 - 9.0-14.0 HB2 PHE 45 - HG3 LYS 53 far 0 73 0 - 9.1-11.0 HE3 LYS 90 - HG3 LYS 24 far 0 48 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 2166 from cnoeabs.peaks (2.97, 1.49, 25.00 ppm; 3.36 A): 9 out of 25 assignments used, quality = 1.00: HE2 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.4-4.0 3.8=71, 2206/1.8=17...(121) * HE3 LYS 47 + HG2 LYS 47 OK 100 100 100 100 2.3-3.8 3.8=71, 2206/1.8=17...(121) HE2 LYS 13 + HG3 LYS 13 OK 94 96 100 99 2.1-3.6 3.8=68, 474/1.8=20...(74) HE3 LYS 13 + HG3 LYS 13 OK 93 94 100 99 2.0-3.6 3.8=68, 474/1.8=20...(74) HE2 LYS 73 + HG2 LYS 73 OK 87 88 100 99 2.1-4.0 4.0=59, 3.0/3297=15...(111) HE2 LYS 24 + HG3 LYS 24 OK 84 84 100 99 2.0-3.9 3.7=74, 12306/3.7=17...(103) HE3 LYS 24 + HG3 LYS 24 OK 84 84 100 99 2.2-3.9 3.7=74, 12306/3.7=14...(103) HE3 LYS 73 + HG2 LYS 73 OK 80 81 100 99 2.2-3.7 4.0=59, 3.0/3297=15...(108) HB3 ASP 11 + HG3 LYS 13 OK 50 90 100 55 2.9-4.2 8365/3.0=11, 1.8/8363=11...(11) HB2 ASN 51 - HG2 LYS 53 far 0 44 0 - 5.1-7.6 HB2 ASN 51 - HG3 LYS 53 far 0 54 0 - 5.9-8.4 HB3 PHE 45 - HG2 LYS 47 far 0 100 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 99 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 55 0 - 6.7-8.8 HB2 SER 9 - HG3 LYS 13 far 0 93 0 - 7.0-9.4 HB2 PHE 45 - HG2 LYS 53 far 0 61 0 - 7.8-10.9 HE3 LYS 90 - HG3 LYS 13 far 0 60 0 - 7.9-12.9 HB3 PHE 45 - HG2 LYS 53 far 0 61 0 - 8.0-9.9 HE2 LYS 12 - HG3 LYS 13 far 0 70 0 - 8.1-10.3 HE3 LYS 12 - HG3 LYS 13 far 0 98 0 - 8.6-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 74 0 - 8.8-11.1 HE2 LYS 12 - HG3 LYS 33 far 0 57 0 - 8.8-13.8 HE3 LYS 12 - HG3 LYS 33 far 0 86 0 - 9.0-14.0 HB2 PHE 45 - HG3 LYS 53 far 0 73 0 - 9.1-11.0 HE3 LYS 90 - HG3 LYS 24 far 0 48 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 2167 from cnoeabs.peaks (7.62, 1.49, 25.00 ppm; 5.60 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 48 + HG2 LYS 47 OK 100 100 100 100 4.1-5.3 6784=100, 6783/3.0=97...(17) H GLU 44 + HG2 LYS 47 OK 63 97 65 100 4.4-8.8 3.0/12088=92, ~12089=69...(20) HE22 GLN 50 - HG2 LYS 47 far 5 99 5 - 6.6-13.5 HD22 ASN 10 - HG3 LYS 33 far 0 85 0 - 7.4-11.7 HE22 GLN 50 - HG2 LYS 53 far 0 61 0 - 8.2-11.6 H LYS 40 - HG3 LYS 33 far 0 80 0 - 8.4-9.9 HE22 GLN 50 - HG3 LYS 53 far 0 74 0 - 9.5-13.3 HD22 ASN 10 - HG3 LYS 13 far 0 98 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 2168 from cnoeabs.peaks (7.47, 1.62, 25.00 ppm; 3.75 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 47 + HG3 LYS 47 OK 100 100 100 100 1.9-3.4 6773=100, 6772/1.8=72...(31) HE22 GLN 72 + HG2 LYS 68 OK 26 40 80 82 2.3-6.9 ~9563=16, 3945/2.9=11...(22) HE ARG 46 - HG3 LYS 47 poor 15 100 60 25 2.9-7.3 2157/1.8=9, 2.9/9015=8...(6) HE22 GLN 72 - HG3 LYS 73 far 0 48 0 - 5.3-8.8 HE ARG 19 - HG3 LYS 12 far 0 52 0 - 8.5-13.9 Violated in 0 structures by 0.00 A. Peak 2169 from cnoeabs.peaks (4.14, 1.62, 25.00 ppm; 3.77 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.5-3.5 3.9=91, 2.9/6773=65...(68) HA LYS 73 + HG3 LYS 73 OK 52 52 100 100 2.3-3.5 4.1=79, 3.0/7208=51...(53) HA LYS 13 - HG3 LYS 12 far 9 59 15 - 3.0-6.4 HA GLN 72 - HG3 LYS 73 far 0 70 0 - 5.4-6.5 HA GLN 72 - HG2 LYS 68 far 0 60 0 - 7.0-9.8 HA GLU 62 - HG2 LYS 68 far 0 50 0 - 8.0-10.8 HA LYS 73 - HG2 LYS 68 far 0 44 0 - 9.2-12.9 HA GLU 104 - HG2 LYS 68 far 0 55 0 - 9.6-19.9 Violated in 0 structures by 0.00 A. Peak 2170 from cnoeabs.peaks (1.97, 1.62, 25.00 ppm; 3.35 A): 3 out of 19 assignments used, quality = 1.00: * HB2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LYS 73 + HG3 LYS 73 OK 70 70 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 69 69 100 100 2.5-3.0 2.9=100 HB2 ARG 46 - HG3 LYS 47 poor 17 100 35 50 3.6-6.7 4.7/6773=30, ~10178=7...(7) HB3 ARG 46 - HG3 LYS 47 far 15 99 15 - 4.4-6.0 QE MET 74 - HG3 LYS 73 far 5 45 10 - 4.1-7.1 HB3 GLU 44 - HG3 LYS 47 far 4 73 5 - 4.2-7.8 HB2 GLU 44 - HG3 LYS 47 far 0 73 0 - 5.1-8.0 HB3 MET 74 - HG3 LYS 73 far 0 72 0 - 6.6-8.3 QE MET 74 - HG3 LYS 47 far 0 71 0 - 6.6-10.8 HB3 MET 74 - HG3 LYS 47 far 0 100 0 - 7.0-11.5 QE MET 74 - HG2 LYS 68 far 0 38 0 - 7.9-12.1 HB2 GLU 17 - HG3 LYS 12 far 0 45 0 - 8.2-12.9 HB2 LYS 73 - HG2 LYS 68 far 0 60 0 - 8.7-12.4 HB2 GLU 35 - HG3 LYS 73 far 0 36 0 - 8.9-12.1 HB3 GLU 17 - HG3 LYS 12 far 0 31 0 - 9.3-12.9 HB3 ARG 19 - HG3 LYS 12 far 0 30 0 - 9.7-12.8 HB2 ARG 46 - HG3 LYS 73 far 0 72 0 - 9.8-13.3 HB3 LYS 73 - HG2 LYS 68 far 0 59 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2171 from cnoeabs.peaks (1.92, 1.62, 25.00 ppm; 3.21 A): 3 out of 18 assignments used, quality = 1.00: * HB3 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 73 + HG3 LYS 73 OK 46 46 100 100 2.5-3.0 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 45 45 100 100 2.3-3.0 2.9=100 HB2 GLU 43 - HG3 LYS 47 poor 10 94 45 25 3.8-7.0 2000/10615=11...(4) HB3 ARG 46 - HG3 LYS 47 far 10 68 15 - 4.4-6.0 HB3 LYS 13 - HG3 LYS 12 far 3 60 5 - 4.2-6.7 HB2 LYS 13 - HG3 LYS 12 far 0 61 0 - 5.2-8.0 HB3 MET 74 - HG3 LYS 73 far 0 38 0 - 6.6-8.3 HB3 MET 74 - HG3 LYS 47 far 0 61 0 - 7.0-11.5 HB3 LEU 14 - HG3 LYS 12 far 0 50 0 - 7.1-8.6 HB2 GLU 17 - HG3 LYS 12 far 0 55 0 - 8.2-12.9 HG LEU 42 - HG3 LYS 73 far 0 52 0 - 8.5-12.5 HB2 ARG 19 - HG3 LYS 12 far 0 39 0 - 8.6-12.7 HB2 LYS 73 - HG2 LYS 68 far 0 38 0 - 8.7-12.4 HB VAL 54 - HG2 LYS 68 far 0 30 0 - 9.4-12.0 HB3 ARG 19 - HG3 LYS 12 far 0 62 0 - 9.7-12.8 HB ILE 8 - HG2 LYS 68 far 0 42 0 - 9.7-11.9 HB3 LYS 73 - HG2 LYS 68 far 0 39 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2172 from cnoeabs.peaks (1.49, 1.62, 25.00 ppm; 2.43 A): 2 out of 20 assignments used, quality = 1.00: * HG2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 73 + HG3 LYS 73 OK 73 73 100 100 1.8-1.8 1.8=100 HG LEU 64 - HG2 LYS 68 poor 12 60 20 - 2.7-5.9 HB3 LEU 64 - HG2 LYS 68 far 0 63 0 - 5.0-8.4 HG3 LYS 13 - HG3 LYS 12 far 0 62 0 - 5.6-7.8 HG12 ILE 56 - HG2 LYS 68 far 0 29 0 - 6.2-9.9 HG2 LYS 73 - HG2 LYS 68 far 0 63 0 - 7.4-11.6 HG2 LYS 66 - HG2 LYS 68 far 0 63 0 - 7.6-11.2 HG LEU 38 - HG2 LYS 68 far 0 39 0 - 7.7-11.7 HG13 ILE 52 - HG3 LYS 47 far 0 70 0 - 7.8-12.3 HB3 LEU 103 - HG2 LYS 68 far 0 39 0 - 7.8-20.0 HD2 LYS 82 - HG2 LYS 68 far 0 39 0 - 8.0-12.9 HB2 LEU 14 - HG3 LYS 12 far 0 40 0 - 8.2-10.0 HG LEU 38 - HG3 LYS 73 far 0 46 0 - 8.3-12.4 HG3 LYS 66 - HG2 LYS 68 far 0 63 0 - 8.3-11.1 HG3 LYS 66 - HG3 LYS 73 far 0 73 0 - 8.3-14.2 HB2 LEU 38 - HG3 LYS 73 far 0 41 0 - 8.4-12.0 HB2 LEU 38 - HG2 LYS 68 far 0 34 0 - 9.3-12.0 HD3 LYS 40 - HG3 LYS 47 far 0 84 0 - 9.5-13.3 HD2 LYS 40 - HG3 LYS 47 far 0 82 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 2173 from cnoeabs.peaks (1.62, 1.62, 25.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 47 + HG3 LYS 47 OK 100 100 - 100 HG3 LYS 73 + HG3 LYS 73 OK 57 57 - 100 HG2 LYS 68 + HG2 LYS 68 OK 52 52 - 100 HG3 LYS 12 + HG3 LYS 12 OK 44 44 - 100 Peak 2174 from cnoeabs.peaks (1.68, 1.62, 25.00 ppm; 2.40 A): 8 out of 32 assignments used, quality = 1.00: HD3 LYS 47 + HG3 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 1.8/2195=10...(68) * HD2 LYS 47 + HG3 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 1.8/2195=10...(68) HD2 LYS 73 + HG3 LYS 73 OK 62 68 100 90 2.3-3.0 3.0=54, 1.8/3298=18...(51) HD3 LYS 73 + HG3 LYS 73 OK 61 67 100 91 2.4-3.0 3.0=54, 1.8/3298=18...(58) HD2 LYS 12 + HG3 LYS 12 OK 48 52 100 91 2.6-3.0 3.0=52, 3.0/464=16...(44) HD3 LYS 12 + HG3 LYS 12 OK 48 52 100 91 2.2-2.7 3.0=52, 3.0/464=16...(43) HD2 LYS 68 + HG2 LYS 68 OK 40 44 100 91 2.2-3.0 3.0=53, 1728/1.8=8...(50) HD3 LYS 68 + HG2 LYS 68 OK 39 42 100 91 2.2-2.9 3.0=53, 1728/1.8=8...(50) HB3 LEU 70 - HG3 LYS 73 far 0 42 0 - 4.3-6.8 HG LEU 70 - HG3 LYS 73 far 0 64 0 - 5.2-8.1 HD2 LYS 13 - HG3 LYS 12 far 0 52 0 - 5.7-8.8 HD2 LYS 39 - HG3 LYS 73 far 0 55 0 - 5.9-10.2 HD3 LYS 13 - HG3 LYS 12 far 0 50 0 - 6.1-8.9 HG LEU 70 - HG2 LYS 68 far 0 54 0 - 6.2-9.1 HD3 LYS 39 - HG3 LYS 73 far 0 36 0 - 6.5-10.3 HB3 ARG 79 - HG2 LYS 68 far 0 46 0 - 6.5-11.2 HD3 LYS 66 - HG2 LYS 68 far 0 51 0 - 7.2-10.3 HG2 LYS 68 - HG3 LYS 73 far 0 38 0 - 7.2-12.1 HG12 ILE 15 - HG3 LYS 12 far 0 58 0 - 7.2-8.4 HD3 LYS 73 - HG2 LYS 68 far 0 57 0 - 8.1-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 61 0 - 8.2-12.3 HB3 LEU 70 - HG2 LYS 68 far 0 35 0 - 8.2-10.4 HD2 LYS 20 - HG3 LYS 12 far 0 63 0 - 8.3-12.8 HB ILE 76 - HG3 LYS 73 far 0 41 0 - 8.5-10.4 HD2 LYS 73 - HG2 LYS 68 far 0 58 0 - 8.6-11.9 HD2 LYS 68 - HG3 LYS 73 far 0 52 0 - 8.7-11.0 HB ILE 76 - HG3 LYS 47 far 0 65 0 - 9.0-12.1 HB ILE 52 - HG3 LYS 47 far 0 99 0 - 9.1-11.9 HD3 LYS 20 - HG3 LYS 12 far 0 62 0 - 9.6-13.3 HB ILE 76 - HG2 LYS 68 far 0 34 0 - 9.6-12.1 HB3 LEU 6 - HG2 LYS 68 far 0 39 0 - 9.9-12.5 HD3 LYS 68 - HG3 LYS 73 far 0 51 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2175 from cnoeabs.peaks (1.68, 1.62, 25.00 ppm; 2.40 A): 8 out of 31 assignments used, quality = 1.00: * HD3 LYS 47 + HG3 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 1.8/2195=10...(68) HD2 LYS 47 + HG3 LYS 47 OK 93 100 100 93 2.3-3.0 3.0=53, 1.8/2195=10...(68) HD2 LYS 73 + HG3 LYS 73 OK 61 68 100 90 2.3-3.0 3.0=54, 1.8/3298=18...(51) HD3 LYS 73 + HG3 LYS 73 OK 60 66 100 91 2.4-3.0 3.0=54, 1.8/3298=18...(58) HD2 LYS 12 + HG3 LYS 12 OK 49 53 100 91 2.6-3.0 3.0=52, 3.0/464=16...(44) HD3 LYS 12 + HG3 LYS 12 OK 49 53 100 91 2.2-2.7 3.0=52, 3.0/464=16...(43) HD2 LYS 68 + HG2 LYS 68 OK 39 42 100 91 2.2-3.0 3.0=53, 1728/1.8=8...(50) HD3 LYS 68 + HG2 LYS 68 OK 38 41 100 91 2.2-2.9 3.0=53, 1728/1.8=8...(50) HB3 LEU 70 - HG3 LYS 73 far 0 44 0 - 4.3-6.8 HG LEU 70 - HG3 LYS 73 far 0 65 0 - 5.2-8.1 HD2 LYS 13 - HG3 LYS 12 far 0 53 0 - 5.7-8.8 HD2 LYS 39 - HG3 LYS 73 far 0 53 0 - 5.9-10.2 HD3 LYS 13 - HG3 LYS 12 far 0 51 0 - 6.1-8.9 HG LEU 70 - HG2 LYS 68 far 0 55 0 - 6.2-9.1 HB3 ARG 79 - HG2 LYS 68 far 0 45 0 - 6.5-11.2 HD3 LYS 66 - HG2 LYS 68 far 0 52 0 - 7.2-10.3 HG2 LYS 68 - HG3 LYS 73 far 0 36 0 - 7.2-12.1 HG12 ILE 15 - HG3 LYS 12 far 0 59 0 - 7.2-8.4 HD3 LYS 73 - HG2 LYS 68 far 0 56 0 - 8.1-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 62 0 - 8.2-12.3 HB3 LEU 70 - HG2 LYS 68 far 0 36 0 - 8.2-10.4 HD2 LYS 20 - HG3 LYS 12 far 0 62 0 - 8.3-12.8 HB ILE 76 - HG3 LYS 73 far 0 39 0 - 8.5-10.4 HD2 LYS 73 - HG2 LYS 68 far 0 58 0 - 8.6-11.9 HD2 LYS 68 - HG3 LYS 73 far 0 51 0 - 8.7-11.0 HB ILE 76 - HG3 LYS 47 far 0 63 0 - 9.0-12.1 HB ILE 52 - HG3 LYS 47 far 0 99 0 - 9.1-11.9 HD3 LYS 20 - HG3 LYS 12 far 0 61 0 - 9.6-13.3 HB ILE 76 - HG2 LYS 68 far 0 33 0 - 9.6-12.1 HB3 LEU 6 - HG2 LYS 68 far 0 38 0 - 9.9-12.5 HD3 LYS 68 - HG3 LYS 73 far 0 49 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2176 from cnoeabs.peaks (2.97, 1.62, 25.00 ppm; 3.62 A): 6 out of 14 assignments used, quality = 1.00: * HE2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.4-4.0 3.8=89, 1.8/2217=18...(138) HE3 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.4-3.8 3.8=89, 1.8/2217=18...(138) HE3 LYS 12 + HG3 LYS 12 OK 60 61 100 100 2.2-4.1 4.0=76, 1.8/464=53...(52) HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.1-3.8 4.0=74, 3.0/3298=23...(116) HE3 LYS 73 + HG3 LYS 73 OK 52 52 100 100 2.0-3.2 4.0=74, 3.0/3298=23...(115) HE2 LYS 12 + HG3 LYS 12 OK 37 38 100 100 2.2-3.8 4.0=76, 463/1.8=45...(72) HB3 ASP 11 - HG3 LYS 12 far 0 52 0 - 6.3-7.3 HB3 PHE 45 - HG3 LYS 47 far 0 100 0 - 6.5-8.7 HB2 PHE 45 - HG3 LYS 47 far 0 99 0 - 6.7-9.0 HE3 LYS 13 - HG3 LYS 12 far 0 56 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 8.1-10.5 HE3 LYS 73 - HG2 LYS 68 far 0 44 0 - 8.4-12.7 HB2 SER 9 - HG3 LYS 12 far 0 55 0 - 8.5-10.5 HE2 LYS 73 - HG2 LYS 68 far 0 49 0 - 8.8-13.7 Violated in 0 structures by 0.00 A. Peak 2177 from cnoeabs.peaks (2.97, 1.62, 25.00 ppm; 3.62 A): 6 out of 14 assignments used, quality = 1.00: HE2 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.4-4.0 3.8=89, 1.8/2217=18...(138) * HE3 LYS 47 + HG3 LYS 47 OK 100 100 100 100 2.4-3.8 3.8=89, 1.8/2217=18...(138) HE3 LYS 12 + HG3 LYS 12 OK 60 61 100 100 2.2-4.1 4.0=76, 1.8/464=53...(52) HE2 LYS 73 + HG3 LYS 73 OK 58 58 100 100 2.1-3.8 4.0=74, 3.0/3298=23...(116) HE3 LYS 73 + HG3 LYS 73 OK 52 52 100 100 2.0-3.2 4.0=74, 3.0/3298=23...(115) HE2 LYS 12 + HG3 LYS 12 OK 37 38 100 100 2.2-3.8 4.0=76, 463/1.8=45...(72) HB3 ASP 11 - HG3 LYS 12 far 0 52 0 - 6.3-7.3 HB3 PHE 45 - HG3 LYS 47 far 0 100 0 - 6.5-8.7 HB2 PHE 45 - HG3 LYS 47 far 0 99 0 - 6.7-9.0 HE3 LYS 13 - HG3 LYS 12 far 0 56 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 8.1-10.5 HE3 LYS 73 - HG2 LYS 68 far 0 44 0 - 8.4-12.7 HB2 SER 9 - HG3 LYS 12 far 0 55 0 - 8.5-10.5 HE2 LYS 73 - HG2 LYS 68 far 0 49 0 - 8.8-13.7 Violated in 0 structures by 0.00 A. Peak 2178 from cnoeabs.peaks (7.62, 1.62, 25.00 ppm; 5.09 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 48 + HG3 LYS 47 OK 100 100 100 100 3.9-5.1 6785=100, 6780/6773=92...(15) H GLU 44 + HG3 LYS 47 OK 77 97 80 100 5.0-7.3 3.0/12089=81, ~12088=61...(18) HD22 ASN 10 - HG3 LYS 12 lone 0 60 40 2 5.5-10.8 HE22 GLN 50 - HG3 LYS 47 far 0 99 0 - 6.7-13.5 H LYS 40 - HG3 LYS 73 far 0 65 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 2179 from cnoeabs.peaks (7.47, 1.68, 29.28 ppm; 3.42 A): 4 out of 24 assignments used, quality = 1.00: H LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.5-4.7 6773/3.0=54, 6772/3.0=47...(41) H ARG 91 + HB3 ARG 91 OK 99 100 100 99 2.5-3.6 3.9=67, 4025/1.8=64...(19) H ARG 91 + HD3 LYS 90 OK 82 83 100 99 2.9-4.6 7437/1.8=60, 7438=47...(21) * H LYS 47 + HD2 LYS 47 OK 70 100 70 100 3.8-5.2 6773/3.0=54, 6772/3.0=47...(39) HE22 GLN 72 - HD2 LYS 68 poor 19 30 90 70 2.5-6.3 ~9563=11, 2168/3.0=9...(21) HE22 GLN 72 - HD3 LYS 68 poor 17 29 60 - 4.1-7.7 HE ARG 46 - HD2 LYS 47 far 10 100 10 - 4.1-9.4 HE ARG 46 - HD3 LYS 47 far 5 100 5 - 4.8-8.9 HE ARG 19 - HD3 LYS 20 far 0 88 0 - 5.3-10.2 HE ARG 19 - HD2 LYS 20 far 0 89 0 - 5.7-10.3 HE ARG 19 - HG12 ILE 15 far 0 77 0 - 6.2-10.5 HD22 ASN 26 - HD2 LYS 24 far 0 51 0 - 6.2-9.3 HE ARG 19 - HD2 LYS 12 far 0 61 0 - 6.3-11.3 HE22 GLN 72 - HD2 LYS 73 far 0 34 0 - 6.4-10.6 HD22 ASN 26 - HD3 LYS 24 far 0 50 0 - 6.4-10.0 HZ2 TRP 92 - HB3 ARG 91 far 0 93 0 - 6.5-8.2 HE ARG 19 - HD3 LYS 12 far 0 61 0 - 6.7-12.7 HE22 GLN 72 - HD3 LYS 73 far 0 32 0 - 7.4-11.3 HE ARG 46 - HD2 LYS 39 far 0 66 0 - 8.5-14.1 H ARG 91 - HD2 LYS 20 far 0 99 0 - 8.6-12.1 H ARG 91 - HD3 LYS 20 far 0 98 0 - 9.2-12.3 H ARG 91 - HD2 LYS 13 far 0 50 0 - 9.3-14.2 H ARG 91 - HD3 LYS 13 far 0 47 0 - 9.4-14.5 HE ARG 46 - HD3 LYS 73 far 0 52 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 2180 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.36 A): 7 out of 30 assignments used, quality = 1.00: * HA LYS 47 + HD2 LYS 47 OK 100 100 100 100 3.9-4.9 5.1=100 HA LYS 47 + HD3 LYS 47 OK 100 100 100 100 4.4-5.0 5.1=100 HA LYS 13 + HD2 LYS 13 OK 47 47 100 100 4.0-5.5 486/3.0=95, 5.5=94...(67) HA LYS 13 + HD3 LYS 13 OK 44 44 100 100 4.0-5.4 486/3.0=95, 5.5=94...(67) HA LYS 73 + HD2 LYS 73 OK 37 37 100 100 4.1-4.9 5.1=100 HA LYS 73 + HD3 LYS 73 OK 35 35 100 100 4.1-4.9 5.1=100 HA LYS 13 + HD2 LYS 12 OK 26 69 40 95 4.2-7.2 ~6168=44, 8392/5.2=35...(16) HA LYS 13 - HD3 LYS 20 poor 19 96 20 - 6.4-9.6 HA LYS 13 - HD3 LYS 12 poor 17 69 25 - 3.7-8.0 HA GLU 23 - HD3 LYS 24 poor 15 50 30 - 6.7-8.8 HA LYS 13 - HD2 LYS 20 poor 14 97 35 40 6.4-8.5 493/12145=25, 492/668=9...(4) HB2 SER 59 - HG12 ILE 15 far 12 82 15 - 6.3-9.1 HA GLU 104 - HB3 ARG 91 far 9 95 10 - 5.8-17.1 HA GLN 72 - HD2 LYS 68 far 5 46 10 - 5.8-9.0 HA GLN 72 - HD3 LYS 68 far 2 43 5 - 6.8-9.5 HA GLU 23 - HD2 LYS 24 far 0 51 0 - 7.1-8.4 HA LYS 13 - HG12 ILE 15 far 0 85 0 - 7.1-7.6 HA GLU 104 - HD3 LYS 68 far 0 40 0 - 7.4-18.1 HA LYS 13 - HD3 LYS 90 far 0 79 0 - 7.6-11.7 HA GLN 72 - HD3 LYS 73 far 0 49 0 - 7.6-8.1 HA GLN 72 - HD2 LYS 73 far 0 51 0 - 7.6-7.9 HA GLU 62 - HD3 LYS 68 far 0 36 0 - 7.7-11.5 HA GLU 62 - HD2 LYS 68 far 0 38 0 - 7.9-11.7 HB2 SER 59 - HD3 LYS 13 far 0 42 0 - 8.1-10.7 HA GLU 104 - HD2 LYS 68 far 0 42 0 - 8.3-19.2 HB2 SER 59 - HD2 LYS 13 far 0 45 0 - 8.3-11.9 HA LYS 73 - HD2 LYS 39 far 0 46 0 - 8.3-11.1 HA GLU 23 - HD2 LYS 20 far 0 99 0 - 9.0-10.4 HA GLU 23 - HD3 LYS 20 far 0 98 0 - 9.2-10.7 HA LYS 73 - HD2 LYS 68 far 0 33 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2181 from cnoeabs.peaks (1.97, 1.68, 29.28 ppm; 3.19 A): 15 out of 84 assignments used, quality = 1.00: HB2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-3.7 3.9=52, 2134/6774=17...(110) * HB2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.6-3.9 3.9=52, 2134/6774=17...(110) HB3 LYS 20 + HD2 LYS 20 OK 66 67 100 99 3.3-4.1 3.5=74, 4.0/6311=12...(78) HB3 LYS 20 + HD3 LYS 20 OK 65 66 100 99 2.7-4.1 3.5=74, 4.0/6311=12...(78) HB2 LYS 73 + HD2 LYS 73 OK 51 51 100 100 2.9-3.3 3.6=70, 3.0/3234=14...(131) HB2 LYS 24 + HD2 LYS 24 OK 51 51 100 100 2.0-3.7 3.6=72, ~1096=15...(109) HB3 LYS 24 + HD2 LYS 24 OK 51 51 100 100 2.2-4.2 3.6=72, ~1096=15...(109) HB3 LYS 73 + HD2 LYS 73 OK 50 51 100 100 2.4-3.4 3.6=70, 3.0/3234=14...(130) HB3 LYS 24 + HD3 LYS 24 OK 49 50 100 100 2.2-3.6 3.6=72, ~1096=15...(109) HB2 LYS 24 + HD3 LYS 24 OK 49 50 100 100 2.1-4.2 3.6=72, ~1096=15...(109) HB2 LYS 73 + HD3 LYS 73 OK 49 49 100 100 2.8-3.8 3.6=70, 3.0/3234=14...(131) HB3 LYS 73 + HD3 LYS 73 OK 48 48 100 100 2.1-3.6 3.6=70, 3.0/3234=14...(129) HB2 GLU 17 + HD3 LYS 90 OK 36 61 70 84 1.9-6.0 1.8/10433=21...(28) HB3 GLU 17 + HD3 LYS 90 OK 32 44 90 81 1.9-5.2 ~12027=19, 10433=14...(39) HB3 GLU 44 + HD3 LYS 47 OK 26 73 45 79 3.9-7.3 3.0/12090=19, ~12088=14...(17) HB3 GLU 17 - HD3 LYS 20 poor 17 58 30 - 3.7-7.3 QE MET 74 - HD2 LYS 39 poor 17 40 55 75 3.8-5.3 12073/3.0=33, 9600=16...(9) HB2 GLU 17 - HD2 LYS 20 poor 16 80 20 - 3.4-6.6 HB3 GLU 44 - HD2 LYS 47 poor 15 73 20 - 3.9-7.8 HB3 GLU 17 - HD2 LYS 20 poor 15 59 40 62 4.2-5.9 ~894=8, 4.0/6219=7...(27) HB3 ARG 19 - HD2 LYS 20 poor 14 57 25 - 3.8-7.2 QE MET 74 - HD2 LYS 73 poor 8 32 25 - 4.5-6.6 HB2 GLU 44 - HD3 LYS 47 far 7 73 10 - 3.5-8.4 HB2 GLU 44 - HD2 LYS 47 far 7 73 10 - 4.3-8.2 HB2 GLU 17 - HD3 LYS 20 far 4 78 5 - 4.4-6.7 HB2 GLU 17 - HD3 LYS 13 far 2 33 5 - 4.6-10.5 HB2 GLU 35 - HD2 LYS 39 far 2 32 5 - 4.7-7.2 QE MET 74 - HD3 LYS 73 far 2 30 5 - 4.6-6.9 HB3 LYS 20 - HD3 LYS 24 far 1 28 5 - 4.4-8.9 HB2 GLU 17 - HD2 LYS 13 far 0 35 0 - 4.9-10.0 HB3 LYS 20 - HD2 LYS 24 far 0 29 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 56 0 - 5.1-7.3 HB3 GLU 17 - HD3 LYS 13 far 0 23 0 - 5.2-10.5 HB2 ARG 46 - HD2 LYS 47 far 0 100 0 - 5.4-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 63 0 - 5.4-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 100 0 - 5.5-8.2 HB3 GLU 17 - HD2 LYS 13 far 0 25 0 - 5.5-10.1 HB3 ARG 46 - HD3 LYS 47 far 0 99 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 99 0 - 6.1-8.2 HB3 LYS 73 - HD2 LYS 39 far 0 62 0 - 6.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 85 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 98 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 98 0 - 6.7-9.0 HB3 LYS 20 - HD3 LYS 90 far 0 51 0 - 6.7-10.6 HB3 ARG 19 - HD2 LYS 12 far 0 36 0 - 6.7-10.6 HB2 GLU 37 - HD2 LYS 39 far 0 64 0 - 6.9-9.6 HB3 MET 74 - HD3 LYS 73 far 0 51 0 - 6.9-9.2 HB3 ARG 19 - HG12 ILE 15 far 0 47 0 - 7.0-9.2 QE MET 74 - HD2 LYS 47 far 0 71 0 - 7.0-10.8 HB2 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.1-9.1 QE MET 74 - HD3 LYS 47 far 0 71 0 - 7.2-10.4 HG3 GLU 88 - HD3 LYS 90 far 0 64 0 - 7.2-9.8 HB3 MET 74 - HD2 LYS 73 far 0 53 0 - 7.2-8.8 HB2 GLU 17 - HG12 ILE 15 far 0 67 0 - 7.2-9.3 HB3 GLU 17 - HG12 ILE 15 far 0 48 0 - 7.3-9.1 HB3 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.3-9.5 HB3 ARG 19 - HD3 LYS 12 far 0 36 0 - 7.4-12.4 HB2 GLU 35 - HD2 LYS 73 far 0 26 0 - 7.6-10.4 HB3 MET 74 - HD2 LYS 39 far 0 65 0 - 7.8-10.5 HB3 MET 74 - HD2 LYS 47 far 0 100 0 - 7.9-12.1 HB VAL 32 - HG12 ILE 15 far 0 65 0 - 7.9-9.5 HB3 MET 74 - HD3 LYS 47 far 0 100 0 - 8.3-11.4 HB2 GLU 35 - HD3 LYS 73 far 0 24 0 - 8.3-10.9 HG3 GLU 88 - HD2 LYS 13 far 0 37 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 52 0 - 8.5-12.3 HB3 GLU 17 - HB3 ARG 91 far 0 61 0 - 8.6-10.9 HG3 GLU 88 - HD3 LYS 13 far 0 35 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 82 0 - 8.7-11.0 HB3 LYS 24 - HD3 LYS 90 far 0 82 0 - 8.7-11.5 HB3 GLU 17 - HD3 LYS 24 far 0 25 0 - 8.8-14.0 HB2 GLU 17 - HD3 LYS 12 far 0 52 0 - 8.8-13.7 HB3 GLU 17 - HD2 LYS 12 far 0 37 0 - 8.8-12.3 HB2 LYS 73 - HD2 LYS 68 far 0 46 0 - 8.9-11.8 HB3 GLU 17 - HD3 LYS 12 far 0 37 0 - 9.2-13.8 HB3 ARG 19 - HD3 LYS 90 far 0 43 0 - 9.2-12.6 QE MET 74 - HD2 LYS 68 far 0 28 0 - 9.3-12.5 HB3 ARG 19 - HD3 LYS 24 far 0 24 0 - 9.5-13.9 HB3 ARG 46 - HD2 LYS 39 far 0 64 0 - 9.5-13.1 HB VAL 32 - HD2 LYS 39 far 0 46 0 - 9.6-11.5 HB2 LYS 24 - HD3 LYS 90 far 0 82 0 - 9.7-12.7 QE MET 74 - HD3 LYS 68 far 0 27 0 - 9.8-12.6 HB3 GLU 17 - HD2 LYS 24 far 0 25 0 - 9.8-14.6 HB2 GLU 44 - HD2 LYS 39 far 0 41 0 - 9.8-13.1 HB3 ARG 19 - HD2 LYS 24 far 0 24 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 2182 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.09 A): 22 out of 109 assignments used, quality = 1.00: HB3 LYS 47 + HD3 LYS 47 OK 99 100 100 99 2.1-3.8 3.9=48, 2146/6774=15...(120) * HB3 LYS 47 + HD2 LYS 47 OK 99 100 100 99 2.5-3.9 3.9=48, 2146/6774=15...(120) HB3 LYS 20 + HD2 LYS 20 OK 95 97 100 98 3.3-4.1 3.5=67, 871/5.9=14...(74) HB3 LYS 20 + HD3 LYS 20 OK 94 96 100 98 2.7-4.1 3.5=67, 871/5.9=14...(74) HB2 LYS 20 + HD2 LYS 20 OK 63 65 100 98 2.4-3.6 3.5=67, 1.8/2152=12...(68) HB2 LYS 20 + HD3 LYS 20 OK 62 64 100 98 2.5-3.7 3.5=67, 1.8/2152=12...(68) HB2 LYS 13 + HD2 LYS 13 OK 48 49 100 99 2.2-3.9 3.6=64, 3.0/487=19...(89) HB3 LYS 13 + HD2 LYS 13 OK 48 48 100 99 2.1-4.2 3.6=64, 3.0/487=19...(88) HB2 LYS 13 + HD3 LYS 13 OK 45 45 100 99 2.1-4.1 3.6=64, 3.0/487=17...(89) HB3 LYS 13 + HD3 LYS 13 OK 44 45 100 99 2.4-4.2 3.6=64, 3.0/487=17...(88) HB3 LEU 14 + HG12 ILE 15 OK 41 74 95 58 4.1-4.7 6212/4.6=15...(17) HB2 GLU 17 + HD3 LYS 90 OK 40 74 65 83 1.9-6.0 12027/2.9=23...(28) HB3 LYS 73 + HD2 LYS 73 OK 33 33 100 99 2.4-3.4 3.6=64, 3.0/3234=13...(129) HB2 LYS 73 + HD2 LYS 73 OK 32 32 100 99 2.9-3.3 3.6=64, 3.0/3234=13...(130) HB3 LYS 73 + HD3 LYS 73 OK 31 31 100 99 2.1-3.6 3.6=64, 3.0/3234=13...(129) HB2 LYS 73 + HD3 LYS 73 OK 30 30 100 99 2.8-3.8 3.6=64, 3.0/3234=13...(130) HB2 LYS 24 + HD2 LYS 24 OK 25 25 100 99 2.0-3.7 3.6=65, ~1096=14...(108) HB3 LYS 24 + HD2 LYS 24 OK 25 25 100 99 2.2-4.2 3.6=65, ~1096=14...(108) HB2 LYS 24 + HD3 LYS 24 OK 24 25 100 99 2.1-4.2 3.6=65, ~1096=14...(108) HB3 LYS 24 + HD3 LYS 24 OK 24 25 100 99 2.2-3.6 3.6=65, ~1096=14...(108) HB3 LEU 14 + HD2 LYS 13 OK 23 40 85 67 2.9-6.1 3.1/10406=10, 519/3.0=9...(25) HB3 LEU 14 + HD3 LYS 13 OK 21 37 85 66 3.1-5.8 3.1/10406=9, 519/3.0=9...(24) HB2 GLU 17 - HD2 LYS 20 poor 19 93 20 - 3.4-6.6 HB2 GLU 43 - HD3 LYS 47 far 14 94 15 - 3.5-7.5 HB2 ARG 19 - HD2 LYS 20 poor 13 71 55 34 3.3-7.1 4.1/6311=11, 788/5.3=4...(12) HB3 ARG 19 - HD2 LYS 20 poor 10 99 25 42 3.8-7.2 4.1/6311=11, 798/5.3=9...(14) HB2 LYS 94 - HB3 ARG 91 far 5 100 5 - 4.5-7.7 HB2 GLU 17 - HD3 LYS 20 far 5 91 5 - 4.4-6.7 HB2 GLU 43 - HD2 LYS 47 lone 3 94 25 15 4.0-7.7 2000/12091=6...(5) HB3 LYS 20 - HD3 LYS 24 far 2 48 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 13 far 2 41 5 - 4.6-10.5 HB2 ARG 19 - HD3 LYS 20 far 0 69 0 - 4.6-7.0 HB2 GLU 17 - HD2 LYS 13 far 0 44 0 - 4.9-10.0 HB3 LYS 20 - HD2 LYS 24 far 0 49 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 98 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 52 0 - 5.2-11.0 HB2 LYS 73 - HD2 LYS 39 far 0 40 0 - 5.4-8.3 HB3 LYS 13 - HD3 LYS 12 far 0 69 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 50 0 - 5.6-12.0 HB3 ARG 46 - HD3 LYS 47 far 0 67 0 - 5.7-7.9 HB3 LYS 13 - HD2 LYS 12 far 0 69 0 - 6.0-8.2 HB3 ARG 46 - HD2 LYS 47 far 0 68 0 - 6.1-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 28 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 28 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 70 0 - 6.2-9.9 HB3 LYS 73 - HD2 LYS 39 far 0 41 0 - 6.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 93 0 - 6.4-8.2 HG LEU 42 - HD2 LYS 39 far 0 46 0 - 6.5-8.7 HB2 ARG 19 - HG12 ILE 15 far 0 59 0 - 6.5-8.8 HB2 LYS 13 - HD2 LYS 12 far 0 70 0 - 6.6-9.1 HB2 LYS 24 - HD3 LYS 20 far 0 58 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 58 0 - 6.7-9.0 HB2 ARG 19 - HD2 LYS 12 far 0 46 0 - 6.7-10.2 HB3 LYS 20 - HD3 LYS 90 far 0 80 0 - 6.7-10.6 HB3 ARG 19 - HD2 LYS 12 far 0 71 0 - 6.7-10.6 HB2 LYS 13 - HD3 LYS 90 far 0 81 0 - 6.8-10.6 HB3 MET 74 - HD3 LYS 73 far 0 25 0 - 6.9-9.2 HB2 GLU 43 - HD2 LYS 39 far 0 58 0 - 6.9-10.2 HB3 ARG 19 - HG12 ILE 15 far 0 88 0 - 7.0-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.1-9.1 HB3 LEU 14 - HD3 LYS 90 far 0 68 0 - 7.1-10.1 HB ILE 8 - HG12 ILE 15 far 0 64 0 - 7.2-7.8 HG3 GLU 88 - HD3 LYS 90 far 0 72 0 - 7.2-9.8 HB3 MET 74 - HD2 LYS 73 far 0 27 0 - 7.2-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 59 0 - 7.2-8.7 HB2 GLU 17 - HG12 ILE 15 far 0 80 0 - 7.2-9.3 HB3 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.3-9.5 HB2 LYS 94 - HD3 LYS 90 far 0 83 0 - 7.4-10.3 HB2 ARG 19 - HD3 LYS 12 far 0 46 0 - 7.4-11.7 HB3 ARG 19 - HD3 LYS 12 far 0 71 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 97 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 98 0 - 7.7-9.5 HB3 MET 74 - HD2 LYS 39 far 0 34 0 - 7.8-10.5 HB3 MET 74 - HD2 LYS 47 far 0 61 0 - 7.9-12.1 HB2 ARG 19 - HD3 LYS 90 far 0 54 0 - 7.9-11.7 HB VAL 32 - HG12 ILE 15 far 0 81 0 - 7.9-9.5 HB2 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.0-8.4 HB3 LEU 14 - HD3 LYS 12 far 0 59 0 - 8.1-9.7 HB3 LYS 13 - HG12 ILE 15 far 0 86 0 - 8.2-8.8 HB3 MET 74 - HD3 LYS 47 far 0 61 0 - 8.3-11.4 HB2 LYS 20 - HD3 LYS 90 far 0 49 0 - 8.3-10.9 HB3 LYS 13 - HD3 LYS 90 far 0 80 0 - 8.4-12.3 HB3 LYS 13 - HD3 LYS 20 far 0 96 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 97 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 42 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 64 0 - 8.5-12.3 HG LEU 42 - HD2 LYS 73 far 0 37 0 - 8.6-12.1 HG3 GLU 88 - HD3 LYS 13 far 0 39 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 95 0 - 8.7-11.0 HB3 LYS 24 - HD3 LYS 90 far 0 44 0 - 8.7-11.5 HB2 GLU 17 - HD3 LYS 12 far 0 64 0 - 8.8-13.7 HB2 LYS 73 - HD2 LYS 68 far 0 28 0 - 8.9-11.8 HG LEU 42 - HD3 LYS 73 far 0 35 0 - 8.9-12.2 HB VAL 54 - HD3 LYS 68 far 0 21 0 - 9.0-12.3 HB3 ARG 19 - HD3 LYS 90 far 0 82 0 - 9.2-12.6 HB3 LEU 14 - HD3 LYS 20 far 0 86 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 87 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 71 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 41 0 - 9.5-15.0 HB3 ARG 19 - HD3 LYS 24 far 0 50 0 - 9.5-13.9 HB3 ARG 46 - HD2 LYS 39 far 0 37 0 - 9.5-13.1 HB VAL 32 - HD2 LYS 39 far 0 59 0 - 9.6-11.5 HB2 LYS 20 - HD2 LYS 12 far 0 41 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 71 0 - 9.6-14.5 HB2 LYS 24 - HD3 LYS 90 far 0 44 0 - 9.7-12.7 HB VAL 54 - HD2 LYS 68 far 0 23 0 - 9.8-13.1 HB2 LYS 33 - HG12 ILE 15 far 0 87 0 - 9.8-11.0 HB2 ARG 19 - HD2 LYS 13 far 0 30 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 51 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 2183 from cnoeabs.peaks (1.49, 1.68, 29.28 ppm; 2.43 A): 12 out of 95 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=55, 1.8/2175=12...(54) * HG2 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 20 + HD2 LYS 20 OK 58 67 100 86 2.4-2.6 2.8=62, 3.0/2152=5...(39) HG2 LYS 20 + HD3 LYS 20 OK 57 66 100 86 2.3-3.0 2.8=62, 3.0/2152=5...(41) HG2 LYS 73 + HD2 LYS 73 OK 49 54 100 91 2.3-3.0 3.0=56, 1.8/3278=9...(51) HG2 LYS 73 + HD3 LYS 73 OK 47 52 100 91 2.5-3.0 3.0=56, 1.8/3278=9...(50) HG3 ARG 91 + HB3 ARG 91 OK 46 59 100 79 2.4-3.0 2.8=62, 7442/3.9=8...(10) HG3 LYS 13 + HD2 LYS 13 OK 44 49 100 89 2.4-3.0 3.0=56, 486/487=10...(36) HG3 LYS 13 + HD3 LYS 13 OK 41 46 100 89 2.4-3.0 3.0=56, 486/487=9...(36) HG3 LYS 24 + HD2 LYS 24 OK 41 45 100 90 2.2-3.0 3.0=56, 1096/4.9=11...(37) HG3 LYS 24 + HD3 LYS 24 OK 39 44 100 90 2.6-3.0 3.0=56, 1096/4.9=11...(37) HG LEU 64 - HD3 LYS 68 poor 14 43 65 48 3.0-5.5 ~12320=9, 2.1/10242=7...(14) HB2 LEU 14 - HD2 LYS 13 poor 10 31 85 38 2.7-6.8 3.1/10406=5, 245/3.0=5...(17) HG3 ARG 91 - HD3 LYS 90 poor 10 43 75 30 2.1-4.9 1.8/4039=9, 2.9/4065=7...(7) HB2 LEU 14 - HD3 LYS 13 poor 9 29 85 37 2.9-6.2 3.1/10406=5, 245/3.0=5...(17) HD3 LYS 40 - HD2 LYS 39 far 2 49 5 - 3.8-9.2 HB ILE 7 - HG12 ILE 15 far 0 60 0 - 4.0-4.9 HB2 ARG 91 - HD3 LYS 90 far 0 82 0 - 4.0-7.5 HB2 LEU 38 - HD2 LYS 39 far 0 36 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 48 0 - 4.4-10.3 HG LEU 64 - HD2 LYS 68 far 0 46 0 - 4.7-6.5 HB2 LEU 14 - HG12 ILE 15 far 0 60 0 - 5.4-6.0 HG LEU 38 - HD2 LYS 39 far 0 41 0 - 5.6-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 51 0 - 5.7-10.7 HB2 LEU 14 - HD3 LYS 90 far 0 55 0 - 5.8-8.5 HB3 LEU 64 - HD3 LYS 68 far 0 46 0 - 6.0-7.5 HG2 LYS 73 - HD2 LYS 39 far 0 66 0 - 6.3-10.8 HG12 ILE 56 - HD3 LYS 68 far 0 21 0 - 6.4-10.3 HG2 LYS 20 - HD3 LYS 24 far 0 28 0 - 6.6-11.6 HB3 LEU 103 - HB3 ARG 91 far 0 73 0 - 6.8-18.2 HG3 LYS 66 - HD2 LYS 39 far 0 66 0 - 6.9-11.5 HG3 LYS 13 - HD3 LYS 12 far 0 71 0 - 7.1-9.6 HG3 LYS 13 - HD2 LYS 12 far 0 71 0 - 7.2-9.2 HD2 LYS 82 - HD3 LYS 68 far 0 28 0 - 7.2-11.4 HG3 LYS 66 - HD2 LYS 73 far 0 54 0 - 7.3-12.3 HG LEU 57 - HD3 LYS 90 far 0 80 0 - 7.3-9.7 HG3 LYS 24 - HD3 LYS 20 far 0 91 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 99 0 - 7.3-9.3 HG LEU 57 - HG12 ILE 15 far 0 86 0 - 7.4-8.9 HB2 LEU 27 - HD3 LYS 24 far 0 28 0 - 7.5-10.8 HG12 ILE 56 - HD2 LYS 68 far 0 22 0 - 7.5-11.2 HG3 LYS 13 - HG12 ILE 15 far 0 87 0 - 7.5-8.5 HB3 LEU 103 - HD3 LYS 68 far 0 28 0 - 7.6-17.5 HB3 LEU 64 - HD2 LYS 68 far 0 48 0 - 7.6-8.8 HG2 LYS 20 - HD2 LYS 24 far 0 29 0 - 7.6-10.9 HB3 LEU 103 - HD2 LYS 68 far 0 29 0 - 7.9-17.9 HB2 LEU 27 - HD2 LYS 24 far 0 29 0 - 8.0-11.5 HG2 LYS 66 - HD3 LYS 68 far 0 46 0 - 8.1-11.3 HD2 LYS 40 - HD3 LYS 47 far 0 82 0 - 8.1-11.9 HG2 LYS 66 - HD2 LYS 39 far 0 66 0 - 8.1-12.5 HG3 LYS 24 - HD2 LYS 20 far 0 93 0 - 8.2-11.1 HG2 LYS 73 - HD2 LYS 68 far 0 48 0 - 8.2-10.3 HB2 LEU 38 - HD2 LYS 73 far 0 29 0 - 8.2-11.6 HG3 LYS 13 - HD3 LYS 90 far 0 82 0 - 8.3-12.4 HB2 LEU 14 - HD2 LYS 12 far 0 47 0 - 8.4-10.2 HG2 LYS 66 - HD2 LYS 68 far 0 48 0 - 8.4-11.9 HD2 LYS 40 - HD2 LYS 47 far 0 82 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 57 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 84 0 - 8.8-13.2 HG LEU 38 - HD2 LYS 68 far 0 29 0 - 8.9-13.1 HG2 LYS 66 - HD2 LYS 73 far 0 54 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 33 0 - 8.9-11.3 HG3 LYS 66 - HD3 LYS 73 far 0 52 0 - 8.9-13.7 HD2 LYS 82 - HD2 LYS 68 far 0 29 0 - 9.0-12.0 HB2 LEU 38 - HD3 LYS 73 far 0 27 0 - 9.0-11.6 HB2 LEU 14 - HD3 LYS 20 far 0 71 0 - 9.0-11.5 HG LEU 6 - HG12 ILE 15 far 0 55 0 - 9.0-11.7 HB2 LEU 14 - HD2 LYS 20 far 0 73 0 - 9.1-11.1 HB2 LEU 14 - HD3 LYS 12 far 0 47 0 - 9.1-11.3 HG3 LYS 24 - HD3 LYS 90 far 0 74 0 - 9.1-13.1 HG LEU 38 - HD3 LYS 73 far 0 31 0 - 9.1-12.5 HG2 LYS 20 - HD2 LYS 12 far 0 43 0 - 9.3-12.2 HG LEU 38 - HD3 LYS 68 far 0 28 0 - 9.3-12.2 HG13 ILE 52 - HD3 LYS 47 far 0 69 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 43 0 - 9.3-13.8 HB ILE 7 - HD2 LYS 12 far 0 47 0 - 9.4-10.7 HB2 LEU 14 - HB3 ARG 91 far 0 75 0 - 9.4-12.0 HD3 LYS 40 - HD2 LYS 47 far 0 84 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 26 0 - 9.5-13.3 HG3 LYS 66 - HD3 LYS 68 far 0 46 0 - 9.5-12.2 HG3 ARG 91 - HD2 LYS 13 far 0 24 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 55 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 28 0 - 9.5-12.9 HG3 ARG 91 - HD3 LYS 13 far 0 22 0 - 9.6-14.4 HG3 LYS 33 - HG12 ILE 15 far 0 83 0 - 9.6-11.1 HG3 LYS 66 - HD2 LYS 68 far 0 48 0 - 9.6-11.5 HG3 LYS 33 - HD2 LYS 12 far 0 67 0 - 9.7-13.2 HB ILE 7 - HD3 LYS 90 far 0 55 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 56 0 - 9.8-13.5 HG2 LYS 73 - HD3 LYS 68 far 0 46 0 - 9.9-11.4 HB ILE 7 - HD2 LYS 20 far 0 73 0 - 9.9-11.5 HG2 LYS 66 - HD3 LYS 73 far 0 52 0 - 9.9-13.7 HG3 LYS 13 - HD2 LYS 20 far 0 98 0 - 9.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 67 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 2184 from cnoeabs.peaks (1.62, 1.68, 29.28 ppm; 2.40 A): 14 out of 85 assignments used, quality = 1.00: HG3 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=53, 2175/1.8=12...(60) * HG3 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=53, 2175/1.8=12...(60) HD3 LYS 39 + HD2 LYS 39 OK 57 57 100 100 1.8-1.8 1.8=100 HG3 LYS 12 + HD2 LYS 12 OK 46 51 100 91 2.6-3.0 3.0=52, 464/3.0=14...(42) HG3 LYS 12 + HD3 LYS 12 OK 46 51 100 90 2.2-2.7 3.0=52, 464/3.0=14...(41) HG3 LYS 90 + HD3 LYS 90 OK 37 44 100 84 2.2-3.0 2.9=54, 4.0/3918=12...(22) HG3 LYS 73 + HD2 LYS 73 OK 36 41 100 88 2.3-3.0 3.0=54, 3278/1.8=8...(52) HG2 LYS 68 + HD2 LYS 68 OK 36 40 100 89 2.2-3.0 3.0=53, 1.8/3038=9...(43) HG3 LYS 73 + HD3 LYS 73 OK 35 39 100 88 2.4-3.0 3.0=54, 1.8/3267=8...(53) HG2 LYS 68 + HD3 LYS 68 OK 34 38 100 90 2.2-2.9 3.0=53, 1.8/3038=9...(44) HD3 LYS 68 + HD2 LYS 68 OK 32 32 100 100 1.8-1.8 1.8=100 HD2 LYS 68 + HD3 LYS 68 OK 29 29 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HD2 LYS 24 OK 24 27 100 88 2.2-3.0 3.0=54, 1.8/1101=7...(46) HG2 LYS 24 + HD3 LYS 24 OK 23 27 100 88 2.2-2.9 3.0=54, 1.8/1101=7...(47) HB2 LYS 40 - HD2 LYS 39 far 3 51 5 - 2.5-7.5 HG2 ARG 19 - HD3 LYS 20 far 0 60 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 87 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 61 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 100 0 - 4.3-8.9 HD2 LYS 94 - HD3 LYS 90 far 0 83 0 - 4.7-11.5 HD2 LYS 39 - HD2 LYS 73 far 0 33 0 - 4.7-8.7 HD3 LYS 39 - HD2 LYS 73 far 0 46 0 - 4.9-7.8 HG3 LYS 90 - HD3 LYS 20 far 0 58 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 61 0 - 5.2-8.3 HD3 LYS 39 - HD3 LYS 73 far 0 44 0 - 5.3-8.5 HD3 LYS 94 - HD3 LYS 90 far 0 66 0 - 5.6-10.7 HG3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.6-9.0 HD2 LYS 94 - HD2 LYS 24 far 0 52 0 - 5.6-10.7 HD2 LYS 39 - HD3 LYS 73 far 0 31 0 - 5.6-8.9 HG3 LYS 12 - HD2 LYS 13 far 0 34 0 - 5.7-8.8 HD3 LYS 94 - HD3 LYS 24 far 0 38 0 - 5.8-12.1 HD2 LYS 94 - HD3 LYS 24 far 0 50 0 - 5.8-11.2 HG3 LYS 73 - HD2 LYS 39 far 0 51 0 - 5.9-10.2 HD3 LYS 94 - HD2 LYS 24 far 0 39 0 - 5.9-11.7 HB3 ARG 79 - HD3 LYS 68 far 0 28 0 - 5.9-10.6 HG3 LYS 12 - HD3 LYS 13 far 0 32 0 - 6.1-8.9 HB2 ARG 79 - HD3 LYS 68 far 0 36 0 - 6.2-10.2 HG2 ARG 19 - HG12 ILE 15 far 0 50 0 - 6.4-8.7 HG LEU 27 - HD2 LYS 24 far 0 39 0 - 6.5-9.9 HB2 ARG 79 - HD2 LYS 68 far 0 38 0 - 6.6-11.0 HG3 LYS 90 - HD3 LYS 13 far 0 23 0 - 6.7-14.1 HB3 ARG 79 - HD2 LYS 68 far 0 29 0 - 6.8-11.5 HG LEU 27 - HD3 LYS 24 far 0 38 0 - 6.8-9.5 HG3 LYS 90 - HD2 LYS 13 far 0 25 0 - 6.9-13.4 HG3 LYS 12 - HG12 ILE 15 far 0 65 0 - 7.2-8.4 HG3 LYS 90 - HD3 LYS 24 far 0 25 0 - 7.5-13.4 HG2 ARG 19 - HD2 LYS 12 far 0 39 0 - 7.6-10.5 HD2 LYS 66 - HD2 LYS 39 far 0 55 0 - 7.7-12.0 HG2 LYS 68 - HD3 LYS 73 far 0 43 0 - 8.1-13.4 HD2 LYS 66 - HD2 LYS 73 far 0 44 0 - 8.2-12.0 HG3 LYS 12 - HD2 LYS 20 far 0 78 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 63 0 - 8.4-18.4 HG2 ARG 19 - HD3 LYS 90 far 0 46 0 - 8.4-13.6 HB3 LEU 29 - HD2 LYS 20 far 0 81 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 62 0 - 8.5-10.7 HG2 LYS 68 - HD2 LYS 73 far 0 45 0 - 8.6-11.9 HG3 LYS 90 - HD2 LYS 24 far 0 25 0 - 8.6-13.7 HB3 LEU 29 - HG12 ILE 15 far 0 68 0 - 8.6-10.0 HG2 LYS 24 - HD2 LYS 20 far 0 63 0 - 8.7-11.2 HG3 LYS 73 - HD2 LYS 68 far 0 37 0 - 8.7-11.0 HB2 LEU 103 - HD3 LYS 68 far 0 23 0 - 8.8-17.8 HG3 LYS 90 - HG12 ILE 15 far 0 48 0 - 8.8-11.9 HG2 ARG 19 - HD3 LYS 12 far 0 39 0 - 8.9-11.9 HB3 LEU 6 - HG12 ILE 15 far 0 68 0 - 9.1-10.8 HD2 LYS 66 - HD3 LYS 73 far 0 42 0 - 9.1-13.7 HB2 LEU 103 - HD2 LYS 68 far 0 24 0 - 9.2-18.1 HB3 LEU 29 - HD3 LYS 20 far 0 80 0 - 9.2-10.9 HB2 ARG 30 - HG12 ILE 15 far 0 78 0 - 9.2-10.6 HB2 LYS 40 - HD3 LYS 47 far 0 87 0 - 9.3-12.6 HB ILE 76 - HD2 LYS 68 far 0 38 0 - 9.3-13.0 HD2 LYS 94 - HD3 LYS 20 far 0 98 0 - 9.4-13.3 HD2 LYS 66 - HD3 LYS 68 far 0 37 0 - 9.4-12.9 HD2 LYS 66 - HD2 LYS 68 far 0 39 0 - 9.4-12.2 HG2 LYS 24 - HD3 LYS 90 far 0 47 0 - 9.6-13.0 HB ILE 76 - HD3 LYS 68 far 0 36 0 - 9.6-12.7 HG3 LYS 12 - HD3 LYS 20 far 0 77 0 - 9.6-13.3 HB2 LYS 40 - HD2 LYS 47 far 0 87 0 - 9.7-12.9 HD3 LYS 94 - HD3 LYS 20 far 0 83 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 99 0 - 9.8-13.6 HB3 LEU 29 - HD3 LYS 90 far 0 63 0 - 9.8-12.0 HB3 LEU 29 - HD2 LYS 24 far 0 37 0 - 9.9-12.9 HD2 LYS 68 - HD3 LYS 73 far 0 33 0 - 9.9-12.9 HG3 LYS 73 - HD3 LYS 68 far 0 35 0 - 9.9-12.0 HD2 LYS 68 - HD2 LYS 73 far 0 35 0 - 9.9-12.0 HG2 ARG 19 - HD3 LYS 13 far 0 24 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2185 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 18 out of 18 assignments used, quality = 1.00: * HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 99 99 - 100 HD3 LYS 20 + HD3 LYS 20 OK 98 98 - 100 HG12 ILE 15 + HG12 ILE 15 OK 83 83 - 100 HD3 LYS 90 + HD3 LYS 90 OK 75 75 - 100 HD2 LYS 12 + HD2 LYS 12 OK 61 61 - 100 HD3 LYS 12 + HD3 LYS 12 OK 61 61 - 100 HD2 LYS 73 + HD2 LYS 73 OK 50 50 - 100 HD2 LYS 39 + HD2 LYS 39 OK 49 49 - 100 HD3 LYS 73 + HD3 LYS 73 OK 46 46 - 100 HD2 LYS 24 + HD2 LYS 24 OK 46 46 - 100 HD3 LYS 24 + HD3 LYS 24 OK 45 45 - 100 HD2 LYS 13 + HD2 LYS 13 OK 42 42 - 100 HD3 LYS 13 + HD3 LYS 13 OK 37 37 - 100 HD2 LYS 68 + HD2 LYS 68 OK 33 33 - 100 HD3 LYS 68 + HD3 LYS 68 OK 30 30 - 100 Peak 2186 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 18 out of 18 assignments used, quality = 1.00: HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 99 99 - 100 HD3 LYS 20 + HD3 LYS 20 OK 97 97 - 100 HG12 ILE 15 + HG12 ILE 15 OK 84 84 - 100 HD3 LYS 90 + HD3 LYS 90 OK 76 76 - 100 HD3 LYS 12 + HD3 LYS 12 OK 62 62 - 100 HD2 LYS 12 + HD2 LYS 12 OK 62 62 - 100 HD2 LYS 73 + HD2 LYS 73 OK 49 49 - 100 HD2 LYS 39 + HD2 LYS 39 OK 48 48 - 100 HD2 LYS 24 + HD2 LYS 24 OK 47 47 - 100 HD3 LYS 73 + HD3 LYS 73 OK 46 46 - 100 HD3 LYS 24 + HD3 LYS 24 OK 45 45 - 100 HD2 LYS 13 + HD2 LYS 13 OK 42 42 - 100 HD3 LYS 13 + HD3 LYS 13 OK 38 38 - 100 HD2 LYS 68 + HD2 LYS 68 OK 32 32 - 100 HD3 LYS 68 + HD3 LYS 68 OK 29 29 - 100 Reference assignment not found: HD3 LYS 47 - HD2 LYS 47 Peak 2187 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 23 out of 81 assignments used, quality = 1.00: HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-2.7 3.0=100 * HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 70 80 100 88 2.7-4.7 8444/1.8=28, ~10417=22...(19) HE3 LYS 12 + HD2 LYS 12 OK 70 70 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 70 70 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 48 48 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 48 48 100 100 2.6-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 47 47 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 47 47 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.2-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 45 45 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 44 44 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 44 44 100 100 2.5-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 44 44 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 43 43 100 100 2.2-2.9 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 42 42 100 100 2.7-3.0 3.0=100 HE3 LYS 13 + HD3 LYS 13 OK 41 41 100 100 2.2-3.0 2.9=100 HE2 LYS 73 + HD3 LYS 73 OK 40 40 100 100 2.2-2.6 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.7-3.0 3.0=100 HB3 ASP 11 + HD2 LYS 13 OK 21 42 100 50 2.4-4.7 8366/3.0=10, ~8363=9...(11) HB3 ASP 11 - HD3 LYS 13 poor 19 39 100 50 2.3-3.8 8366/3.0=10, ~8363=9...(12) HG2 MET 21 - HD3 LYS 90 poor 19 51 65 57 3.7-7.8 8546/3918=14, 8556/3.6=7...(15) HB3 ASP 11 - HG12 ILE 15 far 8 77 10 - 4.6-6.0 HE3 LYS 90 - HD2 LYS 20 far 3 59 5 - 4.4-9.9 HE2 LYS 73 - HD2 LYS 39 far 3 52 5 - 3.4-11.3 HE3 LYS 73 - HD2 LYS 39 far 2 46 5 - 4.0-10.8 HE3 LYS 90 - HD3 LYS 13 far 0 23 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 58 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 5.7-9.5 HE2 LYS 12 - HG12 ILE 15 far 0 57 0 - 5.8-9.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.2-8.9 HE3 LYS 12 - HG12 ILE 15 far 0 86 0 - 6.2-9.4 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 44 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 41 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 66 0 - 6.6-9.1 HE3 LYS 13 - HD3 LYS 90 far 0 75 0 - 6.6-12.7 HG2 MET 21 - HD3 LYS 24 far 0 28 0 - 6.7-10.4 HG2 MET 21 - HD2 LYS 24 far 0 29 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.0-9.9 HB3 ASP 11 - HD2 LYS 12 far 0 61 0 - 7.2-7.9 HE2 LYS 13 - HD3 LYS 90 far 0 77 0 - 7.3-12.5 HE2 LYS 24 - HD3 LYS 20 far 0 95 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 7.7-10.4 HB3 ASP 11 - HD3 LYS 12 far 0 61 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 48 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 45 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 65 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 66 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 66 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 65 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 48 0 - 8.7-13.2 HE2 LYS 24 - HD3 LYS 90 far 0 78 0 - 8.7-14.4 HE2 LYS 12 - HD3 LYS 13 far 0 27 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 29 0 - 8.8-11.4 HE3 LYS 24 - HD3 LYS 90 far 0 78 0 - 8.8-14.7 HE3 LYS 13 - HG12 ILE 15 far 0 81 0 - 9.0-10.6 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 9.0-13.2 HE2 LYS 13 - HG12 ILE 15 far 0 83 0 - 9.1-9.9 HE3 LYS 24 - HD3 LYS 20 far 0 95 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 9.2-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 71 0 - 9.3-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 98 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 25 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 98 0 - 9.6-16.1 HE3 LYS 73 - HD2 LYS 68 far 0 33 0 - 9.7-12.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 9.7-12.4 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.8-14.3 HG2 MET 21 - HD2 LYS 13 far 0 28 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 94 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2188 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 23 out of 81 assignments used, quality = 1.00: * HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-2.7 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 70 80 100 88 2.7-4.7 8444/1.8=28, ~10417=22...(19) HE3 LYS 12 + HD2 LYS 12 OK 70 70 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 70 70 100 100 2.3-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 48 48 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 48 48 100 100 2.6-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 47 47 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 47 47 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.2-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 45 45 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 44 44 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 44 44 100 100 2.5-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 44 44 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 43 43 100 100 2.2-2.9 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 42 42 100 100 2.7-3.0 3.0=100 HE3 LYS 13 + HD3 LYS 13 OK 41 41 100 100 2.2-3.0 2.9=100 HE2 LYS 73 + HD3 LYS 73 OK 40 40 100 100 2.2-2.6 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 37 37 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 35 35 100 100 2.7-3.0 3.0=100 HB3 ASP 11 + HD2 LYS 13 OK 21 42 100 50 2.4-4.7 8366/3.0=10, ~8363=9...(11) HB3 ASP 11 - HD3 LYS 13 poor 19 39 100 50 2.3-3.8 8366/3.0=10, ~8363=9...(12) HG2 MET 21 - HD3 LYS 90 poor 19 51 65 57 3.7-7.8 8546/3918=14, 8556/3.6=7...(15) HB3 ASP 11 - HG12 ILE 15 far 8 77 10 - 4.6-6.0 HE3 LYS 90 - HD2 LYS 20 far 3 59 5 - 4.4-9.9 HE2 LYS 73 - HD2 LYS 39 far 3 52 5 - 3.4-11.3 HE3 LYS 73 - HD2 LYS 39 far 2 46 5 - 4.0-10.8 HE3 LYS 90 - HD3 LYS 13 far 0 23 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 58 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 5.7-9.5 HE2 LYS 12 - HG12 ILE 15 far 0 57 0 - 5.8-9.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.2-8.9 HE3 LYS 12 - HG12 ILE 15 far 0 86 0 - 6.2-9.4 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 44 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 41 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 66 0 - 6.6-9.1 HE3 LYS 13 - HD3 LYS 90 far 0 75 0 - 6.6-12.7 HG2 MET 21 - HD3 LYS 24 far 0 28 0 - 6.7-10.4 HG2 MET 21 - HD2 LYS 24 far 0 29 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.0-9.9 HB3 ASP 11 - HD2 LYS 12 far 0 61 0 - 7.2-7.9 HE2 LYS 13 - HD3 LYS 90 far 0 77 0 - 7.3-12.5 HE2 LYS 24 - HD3 LYS 20 far 0 95 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 7.7-10.4 HB3 ASP 11 - HD3 LYS 12 far 0 61 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 64 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 48 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 45 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 65 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 66 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 64 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 66 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 65 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 48 0 - 8.7-13.2 HE2 LYS 24 - HD3 LYS 90 far 0 78 0 - 8.7-14.4 HE2 LYS 12 - HD3 LYS 13 far 0 27 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 29 0 - 8.8-11.4 HE3 LYS 24 - HD3 LYS 90 far 0 78 0 - 8.8-14.7 HE3 LYS 13 - HG12 ILE 15 far 0 81 0 - 9.0-10.6 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 9.0-13.2 HE2 LYS 13 - HG12 ILE 15 far 0 83 0 - 9.1-9.9 HE3 LYS 24 - HD3 LYS 20 far 0 95 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 9.2-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 71 0 - 9.3-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 98 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 25 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 98 0 - 9.6-16.1 HE3 LYS 73 - HD2 LYS 68 far 0 33 0 - 9.7-12.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 9.7-12.4 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.8-14.3 HG2 MET 21 - HD2 LYS 13 far 0 28 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 94 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2189 from cnoeabs.peaks (7.62, 1.68, 29.28 ppm; 5.86 A): 5 out of 16 assignments used, quality = 1.00: H GLU 48 + HD3 LYS 47 OK 100 100 100 100 4.4-6.3 6783/3.9=91, 2144/3.9=91...(13) * H GLU 48 + HD2 LYS 47 OK 100 100 100 100 5.2-6.8 6783/3.9=91, 2144/3.9=91...(11) H GLU 44 + HD3 LYS 47 OK 92 97 95 100 4.7-7.9 ~12088=61, ~12089=59...(19) H GLU 44 + HD2 LYS 47 OK 82 97 85 100 4.5-7.8 ~12088=61, ~12089=59...(16) H LYS 40 + HD2 LYS 39 OK 58 58 100 100 2.1-5.8 6621/3.6=89, 6620/3.6=88...(20) HD22 ASN 10 - HD2 LYS 12 lone 1 69 40 2 5.9-11.2 HD22 ASN 10 - HD3 LYS 12 lone 0 69 30 2 4.9-12.5 H GLU 44 - HD2 LYS 39 far 0 61 0 - 7.6-11.0 HD22 ASN 10 - HG12 ILE 15 far 0 86 0 - 7.9-9.9 HD22 ASN 10 - HD3 LYS 13 far 0 45 0 - 8.8-12.5 HE22 GLN 50 - HD2 LYS 47 far 0 99 0 - 8.9-15.3 HE22 GLN 50 - HD3 LYS 47 far 0 99 0 - 8.9-14.9 H LYS 40 - HD2 LYS 73 far 0 47 0 - 9.0-11.6 H LYS 40 - HD3 LYS 73 far 0 45 0 - 9.5-11.3 H LYS 40 - HD3 LYS 47 far 0 95 0 - 9.5-13.0 HD22 ASN 10 - HD2 LYS 13 far 0 48 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 2190 from cnoeabs.peaks (7.47, 1.68, 29.28 ppm; 3.42 A): 4 out of 23 assignments used, quality = 1.00: * H LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.5-4.7 6773/3.0=54, 6772/3.0=47...(41) H ARG 91 + HB3 ARG 91 OK 99 100 100 99 2.5-3.6 3.9=67, 4025/1.8=64...(19) H ARG 91 + HD3 LYS 90 OK 83 84 100 99 2.9-4.6 7437/1.8=60, 7438=47...(21) H LYS 47 + HD2 LYS 47 OK 70 100 70 100 3.8-5.2 6773/3.0=54, 6772/3.0=47...(39) HE22 GLN 72 - HD2 LYS 68 poor 18 29 90 70 2.5-6.3 ~9563=11, 2168/3.0=9...(21) HE ARG 46 - HD2 LYS 47 far 10 100 10 - 4.1-9.4 HE ARG 46 - HD3 LYS 47 far 5 100 5 - 4.8-8.9 HE ARG 19 - HD3 LYS 20 far 0 87 0 - 5.3-10.2 HE ARG 19 - HD2 LYS 20 far 0 89 0 - 5.7-10.3 HE ARG 19 - HG12 ILE 15 far 0 78 0 - 6.2-10.5 HD22 ASN 26 - HD2 LYS 24 far 0 53 0 - 6.2-9.3 HE ARG 19 - HD2 LYS 12 far 0 63 0 - 6.3-11.3 HE22 GLN 72 - HD2 LYS 73 far 0 33 0 - 6.4-10.6 HD22 ASN 26 - HD3 LYS 24 far 0 51 0 - 6.4-10.0 HZ2 TRP 92 - HB3 ARG 91 far 0 93 0 - 6.5-8.2 HE ARG 19 - HD3 LYS 12 far 0 63 0 - 6.7-12.7 HE22 GLN 72 - HD3 LYS 73 far 0 31 0 - 7.4-11.3 HE ARG 46 - HD2 LYS 39 far 0 64 0 - 8.5-14.1 H ARG 91 - HD2 LYS 20 far 0 99 0 - 8.6-12.1 H ARG 91 - HD3 LYS 20 far 0 98 0 - 9.2-12.3 H ARG 91 - HD2 LYS 13 far 0 52 0 - 9.3-14.2 H ARG 91 - HD3 LYS 13 far 0 48 0 - 9.4-14.5 HE ARG 46 - HD3 LYS 73 far 0 50 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 2191 from cnoeabs.peaks (4.14, 1.68, 29.28 ppm; 5.36 A): 7 out of 27 assignments used, quality = 1.00: HA LYS 47 + HD2 LYS 47 OK 100 100 100 100 3.9-4.9 5.1=100 * HA LYS 47 + HD3 LYS 47 OK 100 100 100 100 4.4-5.0 5.1=100 HA LYS 13 + HD2 LYS 13 OK 49 49 100 100 4.0-5.5 486/3.0=95, 5.5=94...(67) HA LYS 13 + HD3 LYS 13 OK 46 46 100 100 4.0-5.4 486/3.0=95, 5.5=94...(67) HA LYS 73 + HD2 LYS 73 OK 36 36 100 100 4.1-4.9 5.1=100 HA LYS 73 + HD3 LYS 73 OK 34 34 100 100 4.1-4.9 5.1=100 HA LYS 13 + HD2 LYS 12 OK 27 71 40 95 4.2-7.2 ~6168=44, 8392/5.2=35...(16) HA LYS 13 - HD3 LYS 20 poor 19 95 20 - 6.4-9.6 HA LYS 13 - HD3 LYS 12 poor 18 71 25 - 3.7-8.0 HA GLU 23 - HD3 LYS 24 poor 15 51 30 - 6.7-8.8 HA LYS 13 - HD2 LYS 20 poor 14 96 35 41 6.4-8.5 493/12145=25, 492/668=10...(4) HB2 SER 59 - HG12 ILE 15 far 12 83 15 - 6.3-9.1 HA GLU 104 - HB3 ARG 91 far 9 95 10 - 5.8-17.1 HA GLN 72 - HD2 LYS 68 far 4 43 10 - 5.8-9.0 HA GLU 23 - HD2 LYS 24 far 0 53 0 - 7.1-8.4 HA LYS 13 - HG12 ILE 15 far 0 86 0 - 7.1-7.6 HA LYS 13 - HD3 LYS 90 far 0 81 0 - 7.6-11.7 HA GLN 72 - HD3 LYS 73 far 0 48 0 - 7.6-8.1 HA GLN 72 - HD2 LYS 73 far 0 50 0 - 7.6-7.9 HA GLU 62 - HD2 LYS 68 far 0 36 0 - 7.9-11.7 HB2 SER 59 - HD3 LYS 13 far 0 44 0 - 8.1-10.7 HA GLU 104 - HD2 LYS 68 far 0 40 0 - 8.3-19.2 HB2 SER 59 - HD2 LYS 13 far 0 47 0 - 8.3-11.9 HA LYS 73 - HD2 LYS 39 far 0 44 0 - 8.3-11.1 HA GLU 23 - HD2 LYS 20 far 0 99 0 - 9.0-10.4 HA GLU 23 - HD3 LYS 20 far 0 98 0 - 9.2-10.7 HA LYS 73 - HD2 LYS 68 far 0 31 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 2192 from cnoeabs.peaks (1.97, 1.68, 29.28 ppm; 3.19 A): 15 out of 83 assignments used, quality = 1.00: * HB2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-3.7 3.9=52, 2134/6775=17...(110) HB2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.6-3.9 3.9=52, 2134/6775=17...(110) HB3 LYS 20 + HD2 LYS 20 OK 66 67 100 99 3.3-4.1 3.5=74, 4.0/6311=12...(78) HB3 LYS 20 + HD3 LYS 20 OK 64 65 100 99 2.7-4.1 3.5=74, 4.0/6311=12...(78) HB2 LYS 24 + HD2 LYS 24 OK 52 52 100 100 2.0-3.7 3.6=72, ~1096=15...(109) HB3 LYS 24 + HD2 LYS 24 OK 52 52 100 100 2.2-4.2 3.6=72, ~1096=15...(109) HB3 LYS 24 + HD3 LYS 24 OK 51 51 100 100 2.2-3.6 3.6=72, ~1096=15...(109) HB2 LYS 24 + HD3 LYS 24 OK 51 51 100 100 2.1-4.2 3.6=72, ~1096=15...(109) HB2 LYS 73 + HD2 LYS 73 OK 50 50 100 100 2.9-3.3 3.6=70, 3.0/3234=13...(131) HB3 LYS 73 + HD2 LYS 73 OK 49 50 100 100 2.4-3.4 3.6=70, 3.0/3234=13...(130) HB2 LYS 73 + HD3 LYS 73 OK 47 48 100 100 2.8-3.8 3.6=70, 3.0/3234=13...(131) HB3 LYS 73 + HD3 LYS 73 OK 47 47 100 100 2.1-3.6 3.6=70, 3.0/3234=13...(129) HB2 GLU 17 + HD3 LYS 90 OK 37 63 70 84 1.9-6.0 1.8/10433=21...(28) HB3 GLU 17 + HD3 LYS 90 OK 33 45 90 81 1.9-5.2 ~12027=19, 10433=15...(39) HB3 GLU 44 + HD3 LYS 47 OK 26 73 45 79 3.9-7.3 3.0/12090=19, ~12088=14...(17) HB3 GLU 17 - HD3 LYS 20 poor 17 57 30 - 3.7-7.3 QE MET 74 - HD2 LYS 39 poor 16 38 55 75 3.8-5.3 12073/3.0=33...(9) HB2 GLU 17 - HD2 LYS 20 poor 16 79 20 - 3.4-6.6 HB3 GLU 44 - HD2 LYS 47 poor 15 73 20 - 3.9-7.8 HB3 GLU 17 - HD2 LYS 20 poor 15 59 40 62 4.2-5.9 ~894=8, 4.0/6219=7...(27) HB3 ARG 19 - HD2 LYS 20 poor 14 57 25 - 3.8-7.2 QE MET 74 - HD2 LYS 73 poor 8 31 25 - 4.5-6.6 HB2 GLU 44 - HD3 LYS 47 far 7 73 10 - 3.5-8.4 HB2 GLU 44 - HD2 LYS 47 far 7 73 10 - 4.3-8.2 HB2 GLU 17 - HD3 LYS 20 far 4 78 5 - 4.4-6.7 HB2 GLU 17 - HD3 LYS 13 far 2 34 5 - 4.6-10.5 HB2 GLU 35 - HD2 LYS 39 far 2 31 5 - 4.7-7.2 QE MET 74 - HD3 LYS 73 far 1 29 5 - 4.6-6.9 HB3 LYS 20 - HD3 LYS 24 far 1 29 5 - 4.4-8.9 HB2 GLU 17 - HD2 LYS 13 far 0 37 0 - 4.9-10.0 HB3 LYS 20 - HD2 LYS 24 far 0 30 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 55 0 - 5.1-7.3 HB3 GLU 17 - HD3 LYS 13 far 0 24 0 - 5.2-10.5 HB2 ARG 46 - HD2 LYS 47 far 0 100 0 - 5.4-8.8 HB2 LYS 73 - HD2 LYS 39 far 0 60 0 - 5.4-8.3 HB2 ARG 46 - HD3 LYS 47 far 0 100 0 - 5.5-8.2 HB3 GLU 17 - HD2 LYS 13 far 0 25 0 - 5.5-10.1 HB3 ARG 46 - HD3 LYS 47 far 0 99 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 99 0 - 6.1-8.2 HB3 LYS 73 - HD2 LYS 39 far 0 60 0 - 6.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 85 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 97 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 97 0 - 6.7-9.0 HB3 LYS 20 - HD3 LYS 90 far 0 52 0 - 6.7-10.6 HB3 ARG 19 - HD2 LYS 12 far 0 37 0 - 6.7-10.6 HB2 GLU 37 - HD2 LYS 39 far 0 61 0 - 6.9-9.6 HB3 MET 74 - HD3 LYS 73 far 0 50 0 - 6.9-9.2 HB3 ARG 19 - HG12 ILE 15 far 0 48 0 - 7.0-9.2 QE MET 74 - HD2 LYS 47 far 0 71 0 - 7.0-10.8 HB2 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.1-9.1 QE MET 74 - HD3 LYS 47 far 0 71 0 - 7.2-10.4 HG3 GLU 88 - HD3 LYS 90 far 0 66 0 - 7.2-9.8 HB3 MET 74 - HD2 LYS 73 far 0 52 0 - 7.2-8.8 HB2 GLU 17 - HG12 ILE 15 far 0 68 0 - 7.2-9.3 HB3 GLU 17 - HG12 ILE 15 far 0 49 0 - 7.3-9.1 HB3 LYS 24 - HD2 LYS 20 far 0 98 0 - 7.3-9.5 HB3 ARG 19 - HD3 LYS 12 far 0 37 0 - 7.4-12.4 HB2 GLU 35 - HD2 LYS 73 far 0 25 0 - 7.6-10.4 HB3 MET 74 - HD2 LYS 39 far 0 63 0 - 7.8-10.5 HB3 MET 74 - HD2 LYS 47 far 0 100 0 - 7.9-12.1 HB VAL 32 - HG12 ILE 15 far 0 67 0 - 7.9-9.5 HB3 MET 74 - HD3 LYS 47 far 0 100 0 - 8.3-11.4 HB2 GLU 35 - HD3 LYS 73 far 0 24 0 - 8.3-10.9 HG3 GLU 88 - HD2 LYS 13 far 0 38 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 54 0 - 8.5-12.3 HB3 GLU 17 - HB3 ARG 91 far 0 61 0 - 8.6-10.9 HG3 GLU 88 - HD3 LYS 13 far 0 36 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 82 0 - 8.7-11.0 HB3 LYS 24 - HD3 LYS 90 far 0 83 0 - 8.7-11.5 HB3 GLU 17 - HD3 LYS 24 far 0 25 0 - 8.8-14.0 HB2 GLU 17 - HD3 LYS 12 far 0 54 0 - 8.8-13.7 HB3 GLU 17 - HD2 LYS 12 far 0 38 0 - 8.8-12.3 HB2 LYS 73 - HD2 LYS 68 far 0 43 0 - 8.9-11.8 HB3 GLU 17 - HD3 LYS 12 far 0 38 0 - 9.2-13.8 HB3 ARG 19 - HD3 LYS 90 far 0 44 0 - 9.2-12.6 QE MET 74 - HD2 LYS 68 far 0 27 0 - 9.3-12.5 HB3 ARG 19 - HD3 LYS 24 far 0 24 0 - 9.5-13.9 HB3 ARG 46 - HD2 LYS 39 far 0 61 0 - 9.5-13.1 HB VAL 32 - HD2 LYS 39 far 0 44 0 - 9.6-11.5 HB2 LYS 24 - HD3 LYS 90 far 0 83 0 - 9.7-12.7 HB3 GLU 17 - HD2 LYS 24 far 0 26 0 - 9.8-14.6 HB2 GLU 44 - HD2 LYS 39 far 0 39 0 - 9.8-13.1 HB3 ARG 19 - HD2 LYS 24 far 0 25 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 2193 from cnoeabs.peaks (1.92, 1.68, 29.28 ppm; 3.09 A): 22 out of 108 assignments used, quality = 1.00: * HB3 LYS 47 + HD3 LYS 47 OK 99 100 100 99 2.1-3.8 3.9=48, 2146/6775=15...(120) HB3 LYS 47 + HD2 LYS 47 OK 99 100 100 99 2.5-3.9 3.9=48, 2146/6775=15...(120) HB3 LYS 20 + HD2 LYS 20 OK 95 97 100 98 3.3-4.1 3.5=67, 871/5.9=14...(74) HB3 LYS 20 + HD3 LYS 20 OK 94 96 100 98 2.7-4.1 3.5=67, 871/5.9=14...(74) HB2 LYS 20 + HD2 LYS 20 OK 63 65 100 98 2.4-3.6 3.5=67, 1.8/2152=12...(68) HB2 LYS 20 + HD3 LYS 20 OK 62 63 100 98 2.5-3.7 3.5=67, 1.8/2152=12...(68) HB2 LYS 13 + HD2 LYS 13 OK 50 50 100 99 2.2-3.9 3.6=64, 3.0/487=19...(89) HB3 LYS 13 + HD2 LYS 13 OK 49 50 100 99 2.1-4.2 3.6=64, 3.0/487=19...(88) HB2 LYS 13 + HD3 LYS 13 OK 47 47 100 99 2.1-4.1 3.6=64, 3.0/487=17...(89) HB3 LYS 13 + HD3 LYS 13 OK 46 46 100 99 2.4-4.2 3.6=64, 3.0/487=17...(88) HB3 LEU 14 + HG12 ILE 15 OK 42 75 95 58 4.1-4.7 6212/4.6=15...(17) HB2 GLU 17 + HD3 LYS 90 OK 41 76 65 83 1.9-6.0 12027/2.9=23...(29) HB3 LYS 73 + HD2 LYS 73 OK 32 32 100 99 2.4-3.4 3.6=64, 3.0/3234=13...(129) HB2 LYS 73 + HD2 LYS 73 OK 31 31 100 99 2.9-3.3 3.6=64, 3.0/3234=13...(130) HB3 LYS 73 + HD3 LYS 73 OK 30 30 100 99 2.1-3.6 3.6=64, 3.0/3234=13...(129) HB2 LYS 73 + HD3 LYS 73 OK 29 29 100 99 2.8-3.8 3.6=64, 3.0/3234=13...(130) HB2 LYS 24 + HD2 LYS 24 OK 26 26 100 99 2.0-3.7 3.6=65, ~1096=14...(108) HB3 LYS 24 + HD2 LYS 24 OK 26 26 100 99 2.2-4.2 3.6=65, ~1096=14...(108) HB2 LYS 24 + HD3 LYS 24 OK 25 25 100 99 2.1-4.2 3.6=65, ~1096=14...(108) HB3 LYS 24 + HD3 LYS 24 OK 25 25 100 99 2.2-3.6 3.6=65, ~1096=14...(108) HB3 LEU 14 + HD2 LYS 13 OK 23 41 85 67 2.9-6.1 3.1/10406=10, 519/3.0=9...(25) HB3 LEU 14 + HD3 LYS 13 OK 22 38 85 67 3.1-5.8 3.1/10406=9, 519/3.0=9...(24) HB2 GLU 17 - HD2 LYS 20 poor 18 92 20 - 3.4-6.6 HB2 GLU 43 - HD3 LYS 47 far 14 94 15 - 3.5-7.5 HB2 ARG 19 - HD2 LYS 20 poor 13 70 55 34 3.3-7.1 4.1/6311=11, 788/5.3=4...(12) HB3 ARG 19 - HD2 LYS 20 poor 10 98 25 42 3.8-7.2 4.1/6311=11, 798/5.3=9...(14) HB2 LYS 94 - HB3 ARG 91 far 5 100 5 - 4.5-7.7 HB2 GLU 17 - HD3 LYS 20 far 5 91 5 - 4.4-6.7 HB2 GLU 43 - HD2 LYS 47 lone 3 94 25 15 4.0-7.7 2000/12091=6...(5) HB3 LYS 20 - HD3 LYS 24 far 2 49 5 - 4.4-8.9 HB2 GLU 17 - HD3 LYS 13 far 2 42 5 - 4.6-10.5 HB2 ARG 19 - HD3 LYS 20 far 0 69 0 - 4.6-7.0 HB2 GLU 17 - HD2 LYS 13 far 0 45 0 - 4.9-10.0 HB3 LYS 20 - HD2 LYS 24 far 0 51 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 97 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 53 0 - 5.2-11.0 HB2 LYS 73 - HD2 LYS 39 far 0 38 0 - 5.4-8.3 HB3 LYS 13 - HD3 LYS 12 far 0 71 0 - 5.5-8.8 HB2 LYS 94 - HD3 LYS 24 far 0 52 0 - 5.6-12.0 HB3 ARG 46 - HD3 LYS 47 far 0 68 0 - 5.7-7.9 HB3 LYS 13 - HD2 LYS 12 far 0 71 0 - 6.0-8.2 HB3 ARG 46 - HD2 LYS 47 far 0 67 0 - 6.1-8.2 HB2 LYS 20 - HD3 LYS 24 far 0 28 0 - 6.1-10.0 HB2 LYS 20 - HD2 LYS 24 far 0 29 0 - 6.2-9.8 HB2 LYS 13 - HD3 LYS 12 far 0 72 0 - 6.2-9.9 HB3 LYS 73 - HD2 LYS 39 far 0 39 0 - 6.4-9.2 HG3 GLU 88 - HB3 ARG 91 far 0 93 0 - 6.4-8.2 HG LEU 42 - HD2 LYS 39 far 0 44 0 - 6.5-8.7 HB2 ARG 19 - HG12 ILE 15 far 0 60 0 - 6.5-8.8 HB2 LYS 13 - HD2 LYS 12 far 0 72 0 - 6.6-9.1 HB2 LYS 24 - HD3 LYS 20 far 0 57 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 57 0 - 6.7-9.0 HB2 ARG 19 - HD2 LYS 12 far 0 47 0 - 6.7-10.2 HB3 LYS 20 - HD3 LYS 90 far 0 81 0 - 6.7-10.6 HB3 ARG 19 - HD2 LYS 12 far 0 74 0 - 6.7-10.6 HB2 LYS 13 - HD3 LYS 90 far 0 83 0 - 6.8-10.6 HB3 MET 74 - HD3 LYS 73 far 0 25 0 - 6.9-9.2 HB2 GLU 43 - HD2 LYS 39 far 0 55 0 - 6.9-10.2 HB3 ARG 19 - HG12 ILE 15 far 0 89 0 - 7.0-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.1-9.1 HB3 LEU 14 - HD3 LYS 90 far 0 70 0 - 7.1-10.1 HB ILE 8 - HG12 ILE 15 far 0 65 0 - 7.2-7.8 HG3 GLU 88 - HD3 LYS 90 far 0 74 0 - 7.2-9.8 HB3 MET 74 - HD2 LYS 73 far 0 26 0 - 7.2-8.8 HB3 LEU 14 - HD2 LYS 12 far 0 60 0 - 7.2-8.7 HB2 GLU 17 - HG12 ILE 15 far 0 81 0 - 7.2-9.3 HB3 LYS 24 - HD2 LYS 20 far 0 59 0 - 7.3-9.5 HB2 LYS 94 - HD3 LYS 90 far 0 84 0 - 7.4-10.3 HB2 ARG 19 - HD3 LYS 12 far 0 47 0 - 7.4-11.7 HB3 ARG 19 - HD3 LYS 12 far 0 74 0 - 7.4-12.4 HB2 LYS 13 - HD3 LYS 20 far 0 96 0 - 7.7-10.3 HB2 LYS 13 - HD2 LYS 20 far 0 98 0 - 7.7-9.5 HB3 MET 74 - HD2 LYS 39 far 0 32 0 - 7.8-10.5 HB3 MET 74 - HD2 LYS 47 far 0 61 0 - 7.9-12.1 HB2 ARG 19 - HD3 LYS 90 far 0 55 0 - 7.9-11.7 HB VAL 32 - HG12 ILE 15 far 0 82 0 - 7.9-9.5 HB2 LYS 13 - HG12 ILE 15 far 0 88 0 - 8.0-8.4 HB3 LEU 14 - HD3 LYS 12 far 0 60 0 - 8.1-9.7 HB3 LYS 13 - HG12 ILE 15 far 0 87 0 - 8.2-8.8 HB3 MET 74 - HD3 LYS 47 far 0 61 0 - 8.3-11.4 HB2 LYS 20 - HD3 LYS 90 far 0 50 0 - 8.3-10.9 HB3 LYS 13 - HD3 LYS 90 far 0 81 0 - 8.4-12.3 HB3 LYS 13 - HD3 LYS 20 far 0 96 0 - 8.5-11.6 HB3 LYS 13 - HD2 LYS 20 far 0 97 0 - 8.5-10.3 HG3 GLU 88 - HD2 LYS 13 far 0 44 0 - 8.5-13.2 HB2 GLU 17 - HD2 LYS 12 far 0 66 0 - 8.5-12.3 HG LEU 42 - HD2 LYS 73 far 0 36 0 - 8.6-12.1 HG3 GLU 88 - HD3 LYS 13 far 0 41 0 - 8.6-12.2 HB2 GLU 17 - HB3 ARG 91 far 0 95 0 - 8.7-11.0 HB3 LYS 24 - HD3 LYS 90 far 0 45 0 - 8.7-11.5 HB2 GLU 17 - HD3 LYS 12 far 0 66 0 - 8.8-13.7 HB2 LYS 73 - HD2 LYS 68 far 0 27 0 - 8.9-11.8 HG LEU 42 - HD3 LYS 73 far 0 34 0 - 8.9-12.2 HB3 ARG 19 - HD3 LYS 90 far 0 84 0 - 9.2-12.6 HB3 LEU 14 - HD3 LYS 20 far 0 85 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 87 0 - 9.3-11.3 HB2 LYS 33 - HD2 LYS 12 far 0 73 0 - 9.4-13.0 HB2 LYS 20 - HD3 LYS 12 far 0 43 0 - 9.5-15.0 HB3 ARG 19 - HD3 LYS 24 far 0 51 0 - 9.5-13.9 HB3 ARG 46 - HD2 LYS 39 far 0 36 0 - 9.5-13.1 HB VAL 32 - HD2 LYS 39 far 0 57 0 - 9.6-11.5 HB2 LYS 20 - HD2 LYS 12 far 0 43 0 - 9.6-13.5 HB2 LYS 33 - HD3 LYS 12 far 0 73 0 - 9.6-14.5 HB2 LYS 24 - HD3 LYS 90 far 0 45 0 - 9.7-12.7 HB VAL 54 - HD2 LYS 68 far 0 21 0 - 9.8-13.1 HB2 LYS 33 - HG12 ILE 15 far 0 88 0 - 9.8-11.0 HB2 ARG 19 - HD2 LYS 13 far 0 32 0 - 9.9-14.3 HB3 ARG 19 - HD2 LYS 24 far 0 52 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 2194 from cnoeabs.peaks (1.49, 1.68, 29.28 ppm; 2.43 A): 12 out of 86 assignments used, quality = 1.00: HB2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 * HG2 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 20 + HD2 LYS 20 OK 58 67 100 86 2.4-2.6 2.8=62, 3.0/2152=5...(39) HG2 LYS 20 + HD3 LYS 20 OK 56 65 100 86 2.3-3.0 2.8=62, 3.0/2152=5...(41) HG2 LYS 73 + HD2 LYS 73 OK 48 53 100 91 2.3-3.0 3.0=56, 1.8/3278=9...(51) HG3 ARG 91 + HB3 ARG 91 OK 47 59 100 79 2.4-3.0 2.8=62, 7442/3.9=8...(10) HG2 LYS 73 + HD3 LYS 73 OK 46 50 100 91 2.5-3.0 3.0=56, 1.8/3278=9...(50) HG3 LYS 13 + HD2 LYS 13 OK 45 51 100 89 2.4-3.0 3.0=56, 486/487=10...(36) HG3 LYS 13 + HD3 LYS 13 OK 42 48 100 89 2.4-3.0 3.0=56, 486/487=9...(36) HG3 LYS 24 + HD2 LYS 24 OK 42 46 100 90 2.2-3.0 3.0=56, 1096/4.9=11...(37) HG3 LYS 24 + HD3 LYS 24 OK 41 45 100 90 2.6-3.0 3.0=56, 1096/4.9=11...(37) HB2 LEU 14 - HD2 LYS 13 poor 11 33 85 38 2.7-6.8 3.1/10406=5, 245/3.0=5...(17) HG3 ARG 91 - HD3 LYS 90 poor 10 44 75 30 2.1-4.9 1.8/4039=9, 2.9/4065=7...(7) HB2 LEU 14 - HD3 LYS 13 poor 10 30 85 38 2.9-6.2 3.1/10406=5, 245/3.0=5...(17) HD3 LYS 40 - HD2 LYS 39 far 2 47 5 - 3.8-9.2 HB ILE 7 - HG12 ILE 15 far 0 62 0 - 4.0-4.9 HB2 ARG 91 - HD3 LYS 90 far 0 84 0 - 4.0-7.5 HB2 LEU 38 - HD2 LYS 39 far 0 34 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 46 0 - 4.4-10.3 HG LEU 64 - HD2 LYS 68 far 0 43 0 - 4.7-6.5 HB2 LEU 14 - HG12 ILE 15 far 0 62 0 - 5.4-6.0 HG LEU 38 - HD2 LYS 39 far 0 39 0 - 5.6-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 52 0 - 5.7-10.7 HB2 LEU 14 - HD3 LYS 90 far 0 57 0 - 5.8-8.5 HG2 LYS 73 - HD2 LYS 39 far 0 64 0 - 6.3-10.8 HG2 LYS 20 - HD3 LYS 24 far 0 29 0 - 6.6-11.6 HB3 LEU 103 - HB3 ARG 91 far 0 73 0 - 6.8-18.2 HG3 LYS 66 - HD2 LYS 39 far 0 64 0 - 6.9-11.5 HG3 LYS 13 - HD3 LYS 12 far 0 73 0 - 7.1-9.6 HG3 LYS 13 - HD2 LYS 12 far 0 73 0 - 7.2-9.2 HG3 LYS 66 - HD2 LYS 73 far 0 53 0 - 7.3-12.3 HG LEU 57 - HD3 LYS 90 far 0 81 0 - 7.3-9.7 HG3 LYS 24 - HD3 LYS 20 far 0 91 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 99 0 - 7.3-9.3 HG LEU 57 - HG12 ILE 15 far 0 87 0 - 7.4-8.9 HB2 LEU 27 - HD3 LYS 24 far 0 29 0 - 7.5-10.8 HG12 ILE 56 - HD2 LYS 68 far 0 21 0 - 7.5-11.2 HG3 LYS 13 - HG12 ILE 15 far 0 89 0 - 7.5-8.5 HB3 LEU 64 - HD2 LYS 68 far 0 46 0 - 7.6-8.8 HG2 LYS 20 - HD2 LYS 24 far 0 30 0 - 7.6-10.9 HB3 LEU 103 - HD2 LYS 68 far 0 28 0 - 7.9-17.9 HB2 LEU 27 - HD2 LYS 24 far 0 30 0 - 8.0-11.5 HD2 LYS 40 - HD3 LYS 47 far 0 82 0 - 8.1-11.9 HG2 LYS 66 - HD2 LYS 39 far 0 64 0 - 8.1-12.5 HG3 LYS 24 - HD2 LYS 20 far 0 92 0 - 8.2-11.1 HG2 LYS 73 - HD2 LYS 68 far 0 46 0 - 8.2-10.3 HB2 LEU 38 - HD2 LYS 73 far 0 28 0 - 8.2-11.6 HG3 LYS 13 - HD3 LYS 90 far 0 83 0 - 8.3-12.4 HB2 LEU 14 - HD2 LYS 12 far 0 49 0 - 8.4-10.2 HG2 LYS 66 - HD2 LYS 68 far 0 46 0 - 8.4-11.9 HD2 LYS 40 - HD2 LYS 47 far 0 82 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 57 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 84 0 - 8.8-13.2 HG LEU 38 - HD2 LYS 68 far 0 28 0 - 8.9-13.1 HG2 LYS 66 - HD2 LYS 73 far 0 53 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 32 0 - 8.9-11.3 HG3 LYS 66 - HD3 LYS 73 far 0 50 0 - 8.9-13.7 HD2 LYS 82 - HD2 LYS 68 far 0 28 0 - 9.0-12.0 HB2 LEU 38 - HD3 LYS 73 far 0 27 0 - 9.0-11.6 HB2 LEU 14 - HD3 LYS 20 far 0 71 0 - 9.0-11.5 HG LEU 6 - HG12 ILE 15 far 0 56 0 - 9.0-11.7 HB2 LEU 14 - HD2 LYS 20 far 0 72 0 - 9.1-11.1 HB2 LEU 14 - HD3 LYS 12 far 0 49 0 - 9.1-11.3 HG3 LYS 24 - HD3 LYS 90 far 0 76 0 - 9.1-13.1 HG LEU 38 - HD3 LYS 73 far 0 30 0 - 9.1-12.5 HG2 LYS 20 - HD2 LYS 12 far 0 44 0 - 9.3-12.2 HG13 ILE 52 - HD3 LYS 47 far 0 70 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 44 0 - 9.3-13.8 HB ILE 7 - HD2 LYS 12 far 0 49 0 - 9.4-10.7 HB2 LEU 14 - HB3 ARG 91 far 0 75 0 - 9.4-12.0 HD3 LYS 40 - HD2 LYS 47 far 0 84 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 27 0 - 9.5-13.3 HG3 ARG 91 - HD2 LYS 13 far 0 24 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 56 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 29 0 - 9.5-12.9 HG3 ARG 91 - HD3 LYS 13 far 0 23 0 - 9.6-14.4 HG3 LYS 33 - HG12 ILE 15 far 0 85 0 - 9.6-11.1 HG3 LYS 66 - HD2 LYS 68 far 0 46 0 - 9.6-11.5 HG3 LYS 33 - HD2 LYS 12 far 0 69 0 - 9.7-13.2 HB ILE 7 - HD3 LYS 90 far 0 57 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 55 0 - 9.8-13.5 HB ILE 7 - HD2 LYS 20 far 0 72 0 - 9.9-11.5 HG2 LYS 66 - HD3 LYS 73 far 0 50 0 - 9.9-13.7 HG3 LYS 13 - HD2 LYS 20 far 0 98 0 - 9.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 69 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 2195 from cnoeabs.peaks (1.62, 1.68, 29.28 ppm; 2.40 A): 12 out of 77 assignments used, quality = 1.00: * HG3 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=53, 2175/1.8=12...(60) HG3 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=53, 2175/1.8=12...(60) HD3 LYS 39 + HD2 LYS 39 OK 54 54 100 100 1.8-1.8 1.8=100 HG3 LYS 12 + HD2 LYS 12 OK 48 53 100 91 2.6-3.0 3.0=52, 464/3.0=14...(42) HG3 LYS 12 + HD3 LYS 12 OK 48 53 100 91 2.2-2.7 3.0=52, 464/3.0=14...(41) HG3 LYS 90 + HD3 LYS 90 OK 38 45 100 84 2.2-3.0 2.9=54, 4.0/3918=13...(22) HG3 LYS 73 + HD2 LYS 73 OK 36 40 100 88 2.3-3.0 3.0=54, 3278/1.8=8...(52) HG2 LYS 68 + HD2 LYS 68 OK 34 38 100 89 2.2-3.0 3.0=53, 1.8/3038=8...(43) HG3 LYS 73 + HD3 LYS 73 OK 34 38 100 88 2.4-3.0 3.0=54, 2174/1.8=8...(53) HD3 LYS 68 + HD2 LYS 68 OK 30 30 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HD2 LYS 24 OK 25 28 100 88 2.2-3.0 3.0=54, 1.8/1101=7...(46) HG2 LYS 24 + HD3 LYS 24 OK 24 27 100 88 2.2-2.9 3.0=54, 1.8/1101=7...(47) HB2 LYS 40 - HD2 LYS 39 far 2 49 5 - 2.5-7.5 HG2 ARG 19 - HD3 LYS 20 far 0 59 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 87 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 61 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 100 0 - 4.3-8.9 HD2 LYS 94 - HD3 LYS 90 far 0 84 0 - 4.7-11.5 HD2 LYS 39 - HD2 LYS 73 far 0 32 0 - 4.7-8.7 HD3 LYS 39 - HD2 LYS 73 far 0 45 0 - 4.9-7.8 HG3 LYS 90 - HD3 LYS 20 far 0 57 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 61 0 - 5.2-8.3 HD3 LYS 39 - HD3 LYS 73 far 0 42 0 - 5.3-8.5 HD3 LYS 94 - HD3 LYS 90 far 0 67 0 - 5.6-10.7 HG3 LYS 90 - HD2 LYS 20 far 0 59 0 - 5.6-9.0 HD2 LYS 94 - HD2 LYS 24 far 0 53 0 - 5.6-10.7 HD2 LYS 39 - HD3 LYS 73 far 0 30 0 - 5.6-8.9 HG3 LYS 12 - HD2 LYS 13 far 0 36 0 - 5.7-8.8 HD3 LYS 94 - HD3 LYS 24 far 0 39 0 - 5.8-12.1 HD2 LYS 94 - HD3 LYS 24 far 0 52 0 - 5.8-11.2 HG3 LYS 73 - HD2 LYS 39 far 0 49 0 - 5.9-10.2 HD3 LYS 94 - HD2 LYS 24 far 0 40 0 - 5.9-11.7 HG3 LYS 12 - HD3 LYS 13 far 0 33 0 - 6.1-8.9 HG2 ARG 19 - HG12 ILE 15 far 0 51 0 - 6.4-8.7 HG LEU 27 - HD2 LYS 24 far 0 40 0 - 6.5-9.9 HB2 ARG 79 - HD2 LYS 68 far 0 36 0 - 6.6-11.0 HG3 LYS 90 - HD3 LYS 13 far 0 24 0 - 6.7-14.1 HB3 ARG 79 - HD2 LYS 68 far 0 28 0 - 6.8-11.5 HG LEU 27 - HD3 LYS 24 far 0 39 0 - 6.8-9.5 HG3 LYS 90 - HD2 LYS 13 far 0 25 0 - 6.9-13.4 HG3 LYS 12 - HG12 ILE 15 far 0 67 0 - 7.2-8.4 HG3 LYS 90 - HD3 LYS 24 far 0 25 0 - 7.5-13.4 HG2 ARG 19 - HD2 LYS 12 far 0 40 0 - 7.6-10.5 HD2 LYS 66 - HD2 LYS 39 far 0 52 0 - 7.7-12.0 HG2 LYS 68 - HD3 LYS 73 far 0 42 0 - 8.1-13.4 HD2 LYS 66 - HD2 LYS 73 far 0 43 0 - 8.2-12.0 HG3 LYS 12 - HD2 LYS 20 far 0 78 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 63 0 - 8.4-18.4 HG2 ARG 19 - HD3 LYS 90 far 0 47 0 - 8.4-13.6 HB3 LEU 29 - HD2 LYS 20 far 0 81 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 61 0 - 8.5-10.7 HG2 LYS 68 - HD2 LYS 73 far 0 44 0 - 8.6-11.9 HG3 LYS 90 - HD2 LYS 24 far 0 26 0 - 8.6-13.7 HB3 LEU 29 - HG12 ILE 15 far 0 70 0 - 8.6-10.0 HG2 LYS 24 - HD2 LYS 20 far 0 63 0 - 8.7-11.2 HG3 LYS 73 - HD2 LYS 68 far 0 35 0 - 8.7-11.0 HG3 LYS 90 - HG12 ILE 15 far 0 49 0 - 8.8-11.9 HG2 ARG 19 - HD3 LYS 12 far 0 40 0 - 8.9-11.9 HB3 LEU 6 - HG12 ILE 15 far 0 70 0 - 9.1-10.8 HD2 LYS 66 - HD3 LYS 73 far 0 41 0 - 9.1-13.7 HB2 LEU 103 - HD2 LYS 68 far 0 23 0 - 9.2-18.1 HB3 LEU 29 - HD3 LYS 20 far 0 79 0 - 9.2-10.9 HB2 ARG 30 - HG12 ILE 15 far 0 79 0 - 9.2-10.6 HB2 LYS 40 - HD3 LYS 47 far 0 87 0 - 9.3-12.6 HB ILE 76 - HD2 LYS 68 far 0 36 0 - 9.3-13.0 HD2 LYS 94 - HD3 LYS 20 far 0 98 0 - 9.4-13.3 HD2 LYS 66 - HD2 LYS 68 far 0 37 0 - 9.4-12.2 HG2 LYS 24 - HD3 LYS 90 far 0 49 0 - 9.6-13.0 HG3 LYS 12 - HD3 LYS 20 far 0 76 0 - 9.6-13.3 HB2 LYS 40 - HD2 LYS 47 far 0 87 0 - 9.7-12.9 HD3 LYS 94 - HD3 LYS 20 far 0 82 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 99 0 - 9.8-13.6 HB3 LEU 29 - HD3 LYS 90 far 0 64 0 - 9.8-12.0 HB3 LEU 29 - HD2 LYS 24 far 0 38 0 - 9.9-12.9 HD2 LYS 68 - HD3 LYS 73 far 0 32 0 - 9.9-12.9 HD2 LYS 68 - HD2 LYS 73 far 0 34 0 - 9.9-12.0 HG2 ARG 19 - HD3 LYS 13 far 0 25 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2196 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 17 out of 17 assignments used, quality = 1.00: HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 99 99 - 100 HD3 LYS 20 + HD3 LYS 20 OK 97 97 - 100 HG12 ILE 15 + HG12 ILE 15 OK 85 85 - 100 HD3 LYS 90 + HD3 LYS 90 OK 77 77 - 100 HD3 LYS 12 + HD3 LYS 12 OK 63 63 - 100 HD2 LYS 12 + HD2 LYS 12 OK 63 63 - 100 HD2 LYS 73 + HD2 LYS 73 OK 49 49 - 100 HD2 LYS 24 + HD2 LYS 24 OK 48 48 - 100 HD2 LYS 39 + HD2 LYS 39 OK 47 47 - 100 HD3 LYS 24 + HD3 LYS 24 OK 46 46 - 100 HD3 LYS 73 + HD3 LYS 73 OK 45 45 - 100 HD2 LYS 13 + HD2 LYS 13 OK 43 43 - 100 HD3 LYS 13 + HD3 LYS 13 OK 38 38 - 100 HD2 LYS 68 + HD2 LYS 68 OK 31 31 - 100 Reference assignment not found: HD2 LYS 47 - HD3 LYS 47 Peak 2197 from cnoeabs.peaks (1.68, 1.68, 29.28 ppm; diagonal): 17 out of 17 assignments used, quality = 1.00: * HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 99 99 - 100 HD3 LYS 20 + HD3 LYS 20 OK 97 97 - 100 HG12 ILE 15 + HG12 ILE 15 OK 86 86 - 100 HD3 LYS 90 + HD3 LYS 90 OK 78 78 - 100 HD3 LYS 12 + HD3 LYS 12 OK 64 64 - 100 HD2 LYS 12 + HD2 LYS 12 OK 64 64 - 100 HD2 LYS 24 + HD2 LYS 24 OK 48 48 - 100 HD2 LYS 73 + HD2 LYS 73 OK 48 48 - 100 HD3 LYS 24 + HD3 LYS 24 OK 46 46 - 100 HD2 LYS 39 + HD2 LYS 39 OK 46 46 - 100 HD3 LYS 73 + HD3 LYS 73 OK 45 45 - 100 HD2 LYS 13 + HD2 LYS 13 OK 44 44 - 100 HD3 LYS 13 + HD3 LYS 13 OK 39 39 - 100 HD2 LYS 68 + HD2 LYS 68 OK 30 30 - 100 Peak 2198 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 24 out of 81 assignments used, quality = 1.00: * HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-2.8 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HE3 LYS 12 + HD2 LYS 12 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 72 72 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 72 81 100 88 2.7-4.7 8444/1.8=28, ~10417=22...(19) HE3 LYS 24 + HD2 LYS 24 OK 50 50 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 50 50 100 100 2.6-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 48 48 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 48 48 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 47 47 100 100 2.2-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 46 46 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.5-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 45 45 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 44 44 100 100 2.2-2.9 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 43 43 100 100 2.2-3.0 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 41 41 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.2-2.6 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.7-3.0 3.0=100 HB3 ASP 11 + HD2 LYS 13 OK 22 43 100 50 2.4-4.7 8366/3.0=10, ~8363=9...(11) HB3 ASP 11 + HD3 LYS 13 OK 20 40 100 50 2.3-3.8 8366/3.0=10, ~8363=9...(12) HG2 MET 21 - HD3 LYS 90 poor 19 52 65 57 3.7-7.8 8546/3918=15, 8556/3.6=7...(15) HB3 ASP 11 - HG12 ILE 15 far 8 78 10 - 4.6-6.0 HE3 LYS 90 - HD2 LYS 20 far 3 59 5 - 4.4-9.9 HE2 LYS 73 - HD2 LYS 39 far 3 50 5 - 3.4-11.3 HE3 LYS 73 - HD2 LYS 39 far 2 44 5 - 4.0-10.8 HE3 LYS 90 - HD3 LYS 13 far 0 24 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 57 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 5.7-9.5 HE2 LYS 12 - HG12 ILE 15 far 0 58 0 - 5.8-9.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.2-8.9 HE3 LYS 12 - HG12 ILE 15 far 0 87 0 - 6.2-9.4 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 45 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 42 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 65 0 - 6.6-9.1 HE3 LYS 13 - HD3 LYS 90 far 0 77 0 - 6.6-12.7 HG2 MET 21 - HD3 LYS 24 far 0 29 0 - 6.7-10.4 HG2 MET 21 - HD2 LYS 24 far 0 30 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.0-9.9 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 7.2-7.9 HE2 LYS 13 - HD3 LYS 90 far 0 79 0 - 7.3-12.5 HE2 LYS 24 - HD3 LYS 20 far 0 94 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 7.7-10.4 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 66 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 50 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 47 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 67 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 68 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 66 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 68 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 67 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 49 0 - 8.7-13.2 HE2 LYS 24 - HD3 LYS 90 far 0 80 0 - 8.7-14.4 HE2 LYS 12 - HD3 LYS 13 far 0 28 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 30 0 - 8.8-11.4 HE3 LYS 24 - HD3 LYS 90 far 0 80 0 - 8.8-14.7 HE3 LYS 13 - HG12 ILE 15 far 0 82 0 - 9.0-10.6 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 9.0-13.2 HE2 LYS 13 - HG12 ILE 15 far 0 84 0 - 9.1-9.9 HE3 LYS 24 - HD3 LYS 20 far 0 94 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 9.2-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 72 0 - 9.3-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 97 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 26 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 98 0 - 9.6-16.1 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.7-12.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 9.7-12.4 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.8-14.3 HG2 MET 21 - HD2 LYS 13 far 0 29 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 93 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2199 from cnoeabs.peaks (2.97, 1.68, 29.28 ppm; 3.25 A): 24 out of 81 assignments used, quality = 1.00: HE2 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.3-2.8 3.0=100 * HE3 LYS 47 + HD3 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 100 100 100 100 2.9-3.0 3.0=100 HE3 LYS 12 + HD2 LYS 12 OK 72 72 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 72 72 100 100 2.3-3.0 3.0=100 HB2 SER 9 + HG12 ILE 15 OK 72 81 100 88 2.7-4.7 8444/1.8=28, ~10417=22...(19) HE3 LYS 24 + HD2 LYS 24 OK 50 50 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 50 50 100 100 2.6-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 48 48 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 48 48 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD2 LYS 13 OK 47 47 100 100 2.2-3.0 2.9=100 HE3 LYS 13 + HD2 LYS 13 OK 46 46 100 100 2.3-3.0 2.9=100 HE2 LYS 12 + HD2 LYS 12 OK 46 46 100 100 2.3-3.0 3.0=100 HE2 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.5-3.0 3.0=100 HE3 LYS 90 + HD3 LYS 90 OK 45 45 100 100 2.6-3.0 3.0=100 HE2 LYS 13 + HD3 LYS 13 OK 44 44 100 100 2.2-2.9 2.9=100 HE3 LYS 13 + HD3 LYS 13 OK 43 43 100 100 2.2-3.0 2.9=100 HE2 LYS 73 + HD2 LYS 73 OK 41 41 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 39 39 100 100 2.2-2.6 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 36 36 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 34 34 100 100 2.7-3.0 3.0=100 HB3 ASP 11 + HD2 LYS 13 OK 22 43 100 50 2.4-4.7 8366/3.0=10, ~8363=9...(11) HB3 ASP 11 + HD3 LYS 13 OK 20 40 100 50 2.3-3.8 8366/3.0=10, ~8363=9...(12) HG2 MET 21 - HD3 LYS 90 poor 19 52 65 57 3.7-7.8 8546/3918=15, 8556/3.6=7...(15) HB3 ASP 11 - HG12 ILE 15 far 8 78 10 - 4.6-6.0 HE3 LYS 90 - HD2 LYS 20 far 3 59 5 - 4.4-9.9 HE2 LYS 73 - HD2 LYS 39 far 3 50 5 - 3.4-11.3 HE3 LYS 73 - HD2 LYS 39 far 2 44 5 - 4.0-10.8 HE3 LYS 90 - HD3 LYS 13 far 0 24 0 - 5.1-12.8 HE3 LYS 90 - HD2 LYS 13 far 0 25 0 - 5.2-12.7 HE3 LYS 90 - HD3 LYS 20 far 0 57 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 61 0 - 5.7-9.5 HE2 LYS 12 - HG12 ILE 15 far 0 58 0 - 5.8-9.1 HG2 MET 21 - HB3 ARG 91 far 0 69 0 - 6.2-8.9 HE3 LYS 12 - HG12 ILE 15 far 0 87 0 - 6.2-9.4 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.4-9.7 HB2 SER 9 - HD2 LYS 13 far 0 45 0 - 6.4-10.1 HB2 SER 9 - HD3 LYS 13 far 0 42 0 - 6.5-8.8 HG2 MET 21 - HD3 LYS 20 far 0 65 0 - 6.6-9.1 HE3 LYS 13 - HD3 LYS 90 far 0 77 0 - 6.6-12.7 HG2 MET 21 - HD3 LYS 24 far 0 29 0 - 6.7-10.4 HG2 MET 21 - HD2 LYS 24 far 0 30 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 99 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 100 0 - 7.0-9.9 HB3 ASP 11 - HD2 LYS 12 far 0 63 0 - 7.2-7.9 HE2 LYS 13 - HD3 LYS 90 far 0 79 0 - 7.3-12.5 HE2 LYS 24 - HD3 LYS 20 far 0 94 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 100 0 - 7.7-10.4 HB3 ASP 11 - HD3 LYS 12 far 0 63 0 - 7.8-8.7 HB2 SER 9 - HD2 LYS 12 far 0 66 0 - 7.9-10.3 HB2 PHE 45 - HD2 LYS 47 far 0 99 0 - 7.9-10.2 HE3 LYS 12 - HD2 LYS 13 far 0 50 0 - 8.1-11.2 HE3 LYS 12 - HD3 LYS 13 far 0 47 0 - 8.1-11.3 HE3 LYS 13 - HD3 LYS 12 far 0 67 0 - 8.2-11.5 HE2 LYS 13 - HD3 LYS 12 far 0 68 0 - 8.3-12.3 HE3 LYS 90 - HD3 LYS 24 far 0 25 0 - 8.4-14.7 HB2 SER 9 - HD3 LYS 12 far 0 66 0 - 8.4-11.6 HE2 LYS 13 - HD2 LYS 12 far 0 68 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 67 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 96 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 49 0 - 8.7-13.2 HE2 LYS 24 - HD3 LYS 90 far 0 80 0 - 8.7-14.4 HE2 LYS 12 - HD3 LYS 13 far 0 28 0 - 8.8-11.6 HE2 LYS 12 - HD2 LYS 13 far 0 30 0 - 8.8-11.4 HE3 LYS 24 - HD3 LYS 90 far 0 80 0 - 8.8-14.7 HE3 LYS 13 - HG12 ILE 15 far 0 82 0 - 9.0-10.6 HE3 LYS 13 - HD3 LYS 20 far 0 92 0 - 9.0-13.2 HE2 LYS 13 - HG12 ILE 15 far 0 84 0 - 9.1-9.9 HE3 LYS 24 - HD3 LYS 20 far 0 94 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 93 0 - 9.2-12.0 HB3 ASP 11 - HD3 LYS 90 far 0 72 0 - 9.3-12.0 HE3 LYS 24 - HD2 LYS 20 far 0 96 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 97 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 26 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 98 0 - 9.6-16.1 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.7-12.7 HE2 LYS 13 - HD2 LYS 20 far 0 95 0 - 9.7-12.4 HE2 LYS 12 - HD2 LYS 20 far 0 69 0 - 9.8-14.3 HG2 MET 21 - HD2 LYS 13 far 0 29 0 - 9.9-16.3 HE2 LYS 13 - HD3 LYS 20 far 0 93 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2200 from cnoeabs.peaks (7.62, 1.68, 29.28 ppm; 5.86 A): 5 out of 16 assignments used, quality = 1.00: * H GLU 48 + HD3 LYS 47 OK 100 100 100 100 4.4-6.3 6783/3.9=91, 2144/3.9=91...(13) H GLU 48 + HD2 LYS 47 OK 100 100 100 100 5.2-6.8 6783/3.9=91, 2144/3.9=91...(11) H GLU 44 + HD3 LYS 47 OK 92 97 95 100 4.7-7.9 ~12088=61, ~12089=59...(19) H GLU 44 + HD2 LYS 47 OK 82 97 85 100 4.5-7.8 ~12088=61, ~12089=59...(16) H LYS 40 + HD2 LYS 39 OK 56 56 100 100 2.1-5.8 6621/3.6=89, 6620/3.6=88...(20) HD22 ASN 10 - HD2 LYS 12 lone 1 71 40 2 5.9-11.2 HD22 ASN 10 - HD3 LYS 12 lone 1 71 30 2 4.9-12.5 H GLU 44 - HD2 LYS 39 far 0 58 0 - 7.6-11.0 HD22 ASN 10 - HG12 ILE 15 far 0 87 0 - 7.9-9.9 HD22 ASN 10 - HD3 LYS 13 far 0 46 0 - 8.8-12.5 HE22 GLN 50 - HD2 LYS 47 far 0 99 0 - 8.9-15.3 HE22 GLN 50 - HD3 LYS 47 far 0 99 0 - 8.9-14.9 H LYS 40 - HD2 LYS 73 far 0 46 0 - 9.0-11.6 H LYS 40 - HD3 LYS 73 far 0 44 0 - 9.5-11.3 H LYS 40 - HD3 LYS 47 far 0 95 0 - 9.5-13.0 HD22 ASN 10 - HD2 LYS 13 far 0 50 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 2201 from cnoeabs.peaks (7.47, 2.97, 41.80 ppm; 5.32 A): 2 out of 14 assignments used, quality = 1.00: H LYS 47 + HE3 LYS 47 OK 100 100 100 100 2.6-5.8 6773/3.8=88, 6772/3.8=82...(30) * H LYS 47 + HE2 LYS 47 OK 100 100 100 100 3.6-5.3 6773/3.8=88, 6772/3.8=82...(30) HE ARG 46 - HE2 LYS 47 poor 20 100 20 - 4.5-10.4 HE ARG 46 - HE3 LYS 47 poor 6 100 25 22 4.9-10.0 2157/3.8=11, 2168/3.8=9 HE22 GLN 72 - HE3 LYS 73 far 4 40 10 - 5.4-10.1 HE22 GLN 72 - HE2 LYS 73 far 2 50 5 - 6.5-11.3 HD22 ASN 26 - HE2 LYS 24 far 0 95 0 - 6.9-10.0 HD22 ASN 26 - HE3 LYS 24 far 0 95 0 - 7.3-9.8 HE ARG 19 - HE3 LYS 12 far 0 88 0 - 8.6-13.9 H ARG 91 - HE3 LYS 24 far 0 96 0 - 9.4-14.6 HE ARG 46 - HE3 LYS 73 far 0 63 0 - 9.7-14.9 H ARG 91 - HE2 LYS 24 far 0 96 0 - 9.7-14.7 H ARG 91 - HE2 LYS 13 far 0 93 0 - 9.9-13.1 H ARG 91 - HE3 LYS 13 far 0 90 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2202 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 4.01 A): 5 out of 12 assignments used, quality = 1.00: * HA LYS 47 + HE2 LYS 47 OK 100 100 100 100 4.2-5.2 2127/3.8=38, 2126/3.8=38...(83) HA LYS 47 + HE3 LYS 47 OK 100 100 100 100 4.2-5.5 2127/3.8=38, 2126/3.8=38...(83) HA LYS 13 + HE3 LYS 13 OK 87 87 100 100 4.4-5.4 486/3.8=56, 518/3.8=49...(54) HA LYS 73 + HE2 LYS 73 OK 48 54 90 98 4.4-5.5 3232/4.0=26, 3231/4.0=26...(65) HA LYS 73 + HE3 LYS 73 OK 43 44 100 98 4.4-5.4 3232/4.0=26, 3231/4.0=26...(64) HA LYS 13 - HE2 LYS 13 poor 18 90 20 - 4.7-6.4 HA LYS 13 - HE3 LYS 12 far 0 95 0 - 5.9-8.7 HA GLN 72 - HE3 LYS 73 far 0 59 0 - 7.4-8.6 HA GLN 72 - HE2 LYS 73 far 0 72 0 - 7.6-9.2 HA GLU 23 - HE2 LYS 24 far 0 95 0 - 8.3-9.4 HA GLU 23 - HE3 LYS 24 far 0 95 0 - 8.4-9.8 HB2 SER 59 - HE2 LYS 13 far 0 87 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 2203 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.38 A): 10 out of 40 assignments used, quality = 1.00: * HB2 LYS 47 + HE2 LYS 47 OK 99 100 100 99 2.2-4.6 4.9=33, 1.8/2155=15...(110) HB2 LYS 47 + HE3 LYS 47 OK 99 100 100 99 2.0-4.3 4.9=33, 1.8/2154=15...(110) HB2 LYS 24 + HE3 LYS 24 OK 93 95 100 98 3.0-4.7 4.9=32, 3.0/12306=16...(101) HB2 LYS 24 + HE2 LYS 24 OK 89 95 95 99 2.5-5.1 4.9=32, 3.0/12306=19...(102) HB3 LYS 24 + HE2 LYS 24 OK 89 95 95 99 2.6-5.2 4.9=32, 3.0/12306=19...(102) HB3 LYS 24 + HE3 LYS 24 OK 84 95 90 98 2.7-5.2 4.9=32, 3.0/12306=16...(101) HB2 LYS 73 + HE2 LYS 73 OK 71 72 100 99 2.7-4.9 4.9=33, 3295/3.0=8...(117) HB3 LYS 73 + HE2 LYS 73 OK 71 72 100 99 3.6-4.1 4.9=33, 3295/3.0=8...(117) HB2 LYS 73 + HE3 LYS 73 OK 59 59 100 99 2.2-4.7 4.9=33, 3295/3.0=8...(117) HB3 LYS 73 + HE3 LYS 73 OK 58 59 100 99 2.5-4.5 4.9=33, 3295/3.0=8...(117) HB3 GLU 44 - HE2 LYS 47 far 11 73 15 - 4.3-7.2 HB2 ARG 46 - HE3 LYS 47 far 5 100 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 5 100 5 - 4.4-9.5 QE MET 74 - HE3 LYS 73 far 4 38 10 - 4.4-8.3 HB3 GLU 44 - HE3 LYS 47 far 4 73 5 - 4.8-8.2 QE MET 74 - HE2 LYS 73 far 2 47 5 - 4.6-8.2 HB3 ARG 46 - HE3 LYS 47 far 0 99 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 62 0 - 5.5-9.2 HB2 GLU 44 - HE3 LYS 47 far 0 73 0 - 5.6-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 99 0 - 5.6-9.1 HB2 GLU 44 - HE2 LYS 47 far 0 73 0 - 5.7-8.2 HB2 GLU 17 - HE2 LYS 13 far 0 72 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 69 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 62 0 - 6.2-8.6 HB3 GLU 17 - HE3 LYS 13 far 0 50 0 - 6.3-9.9 HB3 GLU 17 - HE2 LYS 13 far 0 52 0 - 6.8-10.2 HB3 MET 74 - HE3 LYS 73 far 0 62 0 - 6.9-10.4 HB3 MET 74 - HE2 LYS 73 far 0 75 0 - 7.1-10.5 HB2 GLU 35 - HE2 LYS 73 far 0 38 0 - 7.2-12.2 HG3 GLU 88 - HE2 LYS 13 far 0 75 0 - 8.2-11.9 QE MET 74 - HE2 LYS 47 far 0 71 0 - 8.4-12.3 HB2 GLU 35 - HE3 LYS 73 far 0 30 0 - 8.4-11.4 QE MET 74 - HE3 LYS 47 far 0 71 0 - 8.8-12.4 HB3 ARG 19 - HE3 LYS 12 far 0 56 0 - 8.9-13.2 HB3 GLU 17 - HE2 LYS 24 far 0 55 0 - 9.0-14.4 HG3 GLU 88 - HE3 LYS 13 far 0 72 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 100 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 100 0 - 9.4-13.4 HB3 GLU 17 - HE3 LYS 24 far 0 55 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 75 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 2204 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.25 A): 14 out of 43 assignments used, quality = 1.00: * HB3 LYS 47 + HE2 LYS 47 OK 99 100 100 99 2.0-3.5 4.9=30, 2155/1.8=14...(116) HB3 LYS 47 + HE3 LYS 47 OK 99 100 100 99 2.1-4.4 4.9=30, 2155/1.8=14...(116) HB2 LYS 13 + HE2 LYS 13 OK 90 92 100 98 2.3-4.1 5.0=27, 3.0/474=14...(94) HB3 LYS 13 + HE2 LYS 13 OK 89 91 100 98 2.9-4.7 5.0=27, 3.0/474=14...(92) HB2 LYS 13 + HE3 LYS 13 OK 87 89 100 98 2.0-3.4 5.0=27, 3.0/474=14...(90) HB3 LYS 13 + HE3 LYS 13 OK 86 87 100 98 2.7-3.4 5.0=27, 3.0/474=14...(90) HB2 LYS 24 + HE3 LYS 24 OK 53 55 100 97 3.0-4.7 4.9=28, 3.0/12306=15...(98) HB2 LYS 24 + HE2 LYS 24 OK 51 55 95 97 2.5-5.1 4.9=28, 3.0/12306=18...(98) HB3 LYS 24 + HE2 LYS 24 OK 51 55 95 97 2.6-5.2 4.9=28, 3.0/12306=18...(98) HB3 LYS 73 + HE2 LYS 73 OK 47 48 100 98 3.6-4.1 4.9=29, 4.1/7211=7...(114) HB3 LYS 73 + HE3 LYS 73 OK 38 39 100 98 2.5-4.5 4.9=29, 4.1/7211=7...(115) HB2 LYS 73 + HE3 LYS 73 OK 37 38 100 98 2.2-4.7 4.9=29, 4.1/7211=7...(115) HB2 LYS 73 + HE2 LYS 73 OK 37 47 80 98 2.7-4.9 4.9=29, 4.1/7211=7...(114) HB3 LYS 24 + HE3 LYS 24 OK 29 55 55 97 2.7-5.2 4.9=28, 3.0/12306=15...(98) HB2 LYS 94 - HE3 LYS 24 far 5 96 5 - 4.0-12.3 HB2 GLU 43 - HE2 LYS 47 far 5 94 5 - 4.7-8.5 HB3 LEU 14 - HE2 LYS 13 far 0 79 0 - 5.1-6.2 HB2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.3-12.1 HB3 LEU 14 - HE3 LYS 13 far 0 76 0 - 5.4-7.2 HB2 GLU 43 - HE3 LYS 47 far 0 94 0 - 5.4-9.4 HB3 ARG 46 - HE3 LYS 47 far 0 68 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 5.5-9.2 HB3 ARG 46 - HE2 LYS 47 far 0 68 0 - 5.6-9.1 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.2-8.6 HB2 LYS 20 - HE2 LYS 24 far 0 60 0 - 6.9-10.5 HB3 MET 74 - HE3 LYS 73 far 0 31 0 - 6.9-10.4 HB3 MET 74 - HE2 LYS 73 far 0 39 0 - 7.1-10.5 HB3 LYS 13 - HE3 LYS 12 far 0 96 0 - 7.2-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 60 0 - 7.9-9.9 HG3 GLU 88 - HE2 LYS 13 far 0 83 0 - 8.2-11.9 HB2 LYS 13 - HE3 LYS 12 far 0 97 0 - 8.3-10.6 HB2 ARG 19 - HE3 LYS 12 far 0 69 0 - 8.6-12.0 HB2 LYS 33 - HE3 LYS 12 far 0 97 0 - 8.6-14.1 HB3 LEU 14 - HE3 LYS 12 far 0 85 0 - 8.9-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 98 0 - 8.9-13.2 HG LEU 42 - HE2 LYS 73 far 0 54 0 - 9.1-14.2 HG3 GLU 88 - HE3 LYS 13 far 0 80 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 61 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 61 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 88 0 - 9.8-14.6 HG LEU 42 - HE3 LYS 73 far 0 44 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 2205 from cnoeabs.peaks (1.49, 2.97, 41.80 ppm; 2.97 A): 8 out of 33 assignments used, quality = 1.00: * HG2 LYS 47 + HE2 LYS 47 OK 98 100 100 98 2.4-4.0 3.8=49, 1.8/2217=14...(100) HG2 LYS 47 + HE3 LYS 47 OK 98 100 100 98 2.3-3.8 3.8=49, 1.8/2217=14...(100) HG3 LYS 24 + HE2 LYS 24 OK 85 88 100 97 2.0-3.9 3.7=51, 3.7/12306=12...(92) HG3 LYS 24 + HE3 LYS 24 OK 85 88 100 97 2.2-3.9 3.7=51, 3.7/12306=10...(92) HG3 LYS 13 + HE2 LYS 13 OK 84 92 100 91 2.1-3.6 3.8=47, 486/6.0=12...(69) HG3 LYS 13 + HE3 LYS 13 OK 82 89 100 92 2.0-3.6 3.8=47, 486/6.0=12...(69) HG2 LYS 73 + HE2 LYS 73 OK 73 76 100 97 2.1-4.0 4.0=41, 3297/3.0=12...(84) HG2 LYS 73 + HE3 LYS 73 OK 61 63 100 97 2.2-3.7 4.0=41, 3297/3.0=12...(91) HB2 LEU 14 - HE2 LYS 13 far 10 65 15 - 4.4-6.0 HB2 LEU 14 - HE3 LYS 13 far 0 62 0 - 4.7-7.1 HB2 LEU 38 - HE2 LYS 73 far 0 42 0 - 7.1-13.1 HG2 LYS 20 - HE2 LYS 24 far 0 62 0 - 7.4-11.4 HG2 LYS 20 - HE3 LYS 24 far 0 62 0 - 7.4-11.2 HG LEU 38 - HE2 LYS 73 far 0 48 0 - 7.6-14.2 HD3 LYS 40 - HE2 LYS 47 far 0 84 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 84 0 - 8.1-14.8 HG3 LYS 66 - HE3 LYS 73 far 0 63 0 - 8.1-13.3 HB2 LEU 38 - HE3 LYS 73 far 0 34 0 - 8.4-12.3 HG3 LYS 13 - HE3 LYS 12 far 0 97 0 - 8.6-10.0 HB2 LEU 27 - HE2 LYS 24 far 0 62 0 - 8.8-12.0 HG3 LYS 33 - HE3 LYS 12 far 0 94 0 - 9.0-14.0 HG LEU 38 - HE3 LYS 73 far 0 39 0 - 9.2-13.0 HG13 ILE 52 - HE2 LYS 47 far 0 70 0 - 9.2-12.7 HB2 LEU 27 - HE3 LYS 24 far 0 62 0 - 9.4-12.1 HG2 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 71 0 - 9.4-13.6 HG3 ARG 91 - HE2 LYS 13 far 0 51 0 - 9.6-13.0 HD2 LYS 40 - HE2 LYS 47 far 0 82 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 82 0 - 9.6-13.6 HG LEU 2 - HE2 LYS 47 far 0 87 0 - 9.6-13.8 HG3 ARG 91 - HE3 LYS 13 far 0 48 0 - 9.7-14.1 HG3 LYS 66 - HE2 LYS 73 far 0 76 0 - 9.7-14.7 HG13 ILE 52 - HE3 LYS 47 far 0 70 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2206 from cnoeabs.peaks (1.62, 2.97, 41.80 ppm; 2.92 A): 7 out of 31 assignments used, quality = 1.00: * HG3 LYS 47 + HE2 LYS 47 OK 97 100 100 97 2.4-4.0 3.8=47, 2177/1.8=12...(72) HG3 LYS 47 + HE3 LYS 47 OK 97 100 100 97 2.4-3.8 3.8=47, 2177/1.8=12...(72) HG3 LYS 12 + HE3 LYS 12 OK 69 76 100 90 2.2-4.1 4.0=40, ~463=30, ~423=16...(37) HG3 LYS 73 + HE2 LYS 73 OK 55 59 100 93 2.1-3.8 4.0=39, 3298/3.0=14...(66) HG2 LYS 24 + HE2 LYS 24 OK 55 58 100 94 2.0-4.1 3.7=49, 3.7/12306=12...(71) HG2 LYS 24 + HE3 LYS 24 OK 55 58 100 94 2.0-4.2 3.7=49, 3.7/12306=10...(71) HG3 LYS 73 + HE3 LYS 73 OK 45 48 100 93 2.0-3.2 4.0=39, 3298/3.0=14...(66) HD3 LYS 94 - HE3 LYS 24 far 4 79 5 - 4.0-11.5 HD3 LYS 39 - HE2 LYS 73 far 3 65 5 - 4.3-10.6 HD3 LYS 39 - HE3 LYS 73 far 3 53 5 - 4.1-10.1 HD2 LYS 39 - HE2 LYS 73 far 2 48 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 2 39 5 - 4.0-10.8 HD2 LYS 94 - HE3 LYS 24 far 0 96 0 - 4.9-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 79 0 - 5.0-12.0 HD2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.6-11.2 HG3 LYS 12 - HE3 LYS 13 far 0 67 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 52 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 50 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 79 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 79 0 - 7.8-10.8 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 55 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 51 0 - 8.3-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 52 0 - 8.4-12.7 HG2 LYS 68 - HE2 LYS 73 far 0 64 0 - 8.8-13.7 HG3 LYS 90 - HE3 LYS 24 far 0 55 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 63 0 - 9.1-14.3 HD2 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.7-12.7 HB ILE 76 - HE2 LYS 73 far 0 62 0 - 9.8-13.0 HB2 LYS 40 - HE2 LYS 47 far 0 87 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2207 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.51 A): 18 out of 62 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-2.7 3.0=61, 3.0/2177=6...(44) * HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2177=6...(45) HD3 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2177=6...(44) HD2 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.3-2.8 3.0=61, 3.0/2176=6...(44) HD2 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.6-3.0 3.0=61, 4.9/12306=5...(53) HD2 LYS 24 + HE3 LYS 24 OK 78 90 100 87 2.2-3.0 3.0=61, 1110/3.7=5...(53) HD3 LYS 24 + HE2 LYS 24 OK 77 89 100 87 2.2-3.0 3.0=61, 4.9/12306=5...(53) HD3 LYS 24 + HE3 LYS 24 OK 77 89 100 87 2.6-3.0 3.0=61, 1110/3.7=5...(53) HD2 LYS 12 + HE3 LYS 12 OK 73 88 100 84 2.2-3.0 3.0=60, ~463=13...(28) HD3 LYS 12 + HE3 LYS 12 OK 73 88 100 83 2.3-3.0 3.0=60, ~463=13...(28) HD2 LYS 13 + HE2 LYS 13 OK 72 82 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 70 79 100 88 2.2-2.9 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 69 78 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE3 LYS 13 OK 67 76 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 73 + HE2 LYS 73 OK 59 71 100 83 2.7-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 58 69 100 84 2.2-2.6 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 49 58 100 84 2.3-2.9 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 48 57 100 85 2.7-3.0 3.0=60, 3298/4.0=8...(45) HG2 PRO 86 - HE2 LYS 13 lone 12 89 80 16 2.0-5.3 3.8/12306=3, ~3842=2...(9) HG2 PRO 86 - HE3 LYS 13 lone 6 86 50 13 2.2-6.4 ~3842=2, ~3802=2...(8) HB3 LEU 70 - HE2 LYS 73 far 4 44 10 - 3.3-8.1 HD2 LYS 39 - HE2 LYS 73 far 3 57 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 2 46 5 - 4.0-10.8 HD3 LYS 39 - HE3 LYS 73 far 0 30 0 - 4.1-10.1 HD3 LYS 39 - HE2 LYS 73 far 0 38 0 - 4.3-10.6 HG LEU 70 - HE2 LYS 73 far 0 66 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 35 0 - 4.6-7.4 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 94 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 54 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 83 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 86 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 63 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 88 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 85 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 82 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 31 0 - 8.4-12.7 HD2 LYS 12 - HE2 LYS 13 far 0 82 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 89 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 39 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 89 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 85 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 89 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 9.5-14.2 HB3 ARG 91 - HE3 LYS 24 far 0 96 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 44 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 42 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 70 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2208 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.51 A): 18 out of 60 assignments used, quality = 1.00: * HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-2.7 3.0=61, 3.0/2177=6...(44) HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2176=6...(45) HD3 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2177=6...(44) HD2 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.3-2.8 3.0=61, 3.0/2177=6...(44) HD2 LYS 24 + HE2 LYS 24 OK 79 90 100 87 2.6-3.0 3.0=61, 4.9/12306=5...(53) HD2 LYS 24 + HE3 LYS 24 OK 79 90 100 87 2.2-3.0 3.0=61, 1110/3.7=5...(53) HD3 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.2-3.0 3.0=61, 4.9/12306=5...(53) HD3 LYS 24 + HE3 LYS 24 OK 78 90 100 87 2.6-3.0 3.0=61, 1110/3.7=5...(53) HD2 LYS 12 + HE3 LYS 12 OK 74 89 100 84 2.2-3.0 3.0=60, ~463=13...(28) HD3 LYS 12 + HE3 LYS 12 OK 74 89 100 83 2.3-3.0 3.0=60, ~463=13...(28) HD2 LYS 13 + HE2 LYS 13 OK 73 83 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 71 80 100 88 2.2-2.9 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 70 80 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE3 LYS 13 OK 68 77 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 73 + HE2 LYS 73 OK 58 70 100 83 2.7-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 58 68 100 84 2.2-2.6 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 48 58 100 84 2.3-2.9 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 47 56 100 85 2.7-3.0 3.0=60, 3298/4.0=8...(45) HG2 PRO 86 - HE2 LYS 13 lone 12 90 80 16 2.0-5.3 3.8/12306=3, ~3842=2...(10) HG2 PRO 86 - HE3 LYS 13 lone 6 87 50 13 2.2-6.4 ~3842=2, ~3802=2...(9) HB3 LEU 70 - HE2 LYS 73 far 5 45 10 - 3.3-8.1 HD2 LYS 39 - HE2 LYS 73 far 3 55 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 2 45 5 - 4.0-10.8 HG LEU 70 - HE2 LYS 73 far 0 67 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 36 0 - 4.6-7.4 HG3 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 95 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 55 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 84 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 52 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 87 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 94 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 89 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 87 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 80 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 83 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 30 0 - 8.4-12.7 HD2 LYS 12 - HE2 LYS 13 far 0 83 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 80 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 90 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 38 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 90 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 86 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 89 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 94 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 9.5-14.2 HB3 ARG 91 - HE3 LYS 24 far 0 96 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 41 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 68 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2209 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 96 96 - 100 HE3 LYS 24 + HE3 LYS 24 OK 92 92 - 100 HE2 LYS 24 + HE2 LYS 24 OK 92 92 - 100 HE2 LYS 13 + HE2 LYS 13 OK 88 88 - 100 HE3 LYS 13 + HE3 LYS 13 OK 83 83 - 100 HE2 LYS 73 + HE2 LYS 73 OK 61 61 - 100 HE3 LYS 73 + HE3 LYS 73 OK 44 44 - 100 Peak 2210 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 96 96 - 100 HE3 LYS 24 + HE3 LYS 24 OK 92 92 - 100 HE2 LYS 24 + HE2 LYS 24 OK 92 92 - 100 HE2 LYS 13 + HE2 LYS 13 OK 88 88 - 100 HE3 LYS 13 + HE3 LYS 13 OK 83 83 - 100 HE2 LYS 73 + HE2 LYS 73 OK 61 61 - 100 HE3 LYS 73 + HE3 LYS 73 OK 44 44 - 100 Reference assignment not found: HE3 LYS 47 - HE2 LYS 47 Peak 2211 from cnoeabs.peaks (7.62, 2.97, 41.80 ppm; 5.09 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 48 + HE2 LYS 47 OK 100 100 100 100 4.2-6.0 6783/4.9=64, 2144/4.9=64...(13) H GLU 48 + HE3 LYS 47 OK 70 100 70 100 4.3-7.1 6783/4.9=64, 2144/4.9=64...(12) H GLU 44 - HE2 LYS 47 far 15 97 15 - 5.7-8.2 H GLU 44 - HE3 LYS 47 far 5 97 5 - 5.3-8.6 HD22 ASN 10 - HE3 LYS 12 lone 0 96 30 2 4.4-12.3 HE22 GLN 50 - HE3 LYS 47 far 0 99 0 - 8.4-15.0 H LYS 40 - HE2 LYS 73 far 0 67 0 - 8.6-13.5 HE22 GLN 50 - HE2 LYS 47 far 0 99 0 - 8.8-15.7 H LYS 40 - HE3 LYS 73 far 0 55 0 - 9.0-12.9 Violated in 11 structures by 0.14 A. Peak 2212 from cnoeabs.peaks (7.47, 2.97, 41.80 ppm; 5.32 A): 2 out of 14 assignments used, quality = 1.00: * H LYS 47 + HE3 LYS 47 OK 100 100 100 100 2.6-5.8 6773/3.8=88, 6772/3.8=82...(30) H LYS 47 + HE2 LYS 47 OK 100 100 100 100 3.6-5.3 6773/3.8=88, 6772/3.8=82...(30) HE ARG 46 - HE2 LYS 47 poor 20 100 20 - 4.5-10.4 HE ARG 46 - HE3 LYS 47 poor 6 100 25 22 4.9-10.0 2157/3.8=11, 2168/3.8=9 HE22 GLN 72 - HE3 LYS 73 far 4 40 10 - 5.4-10.1 HE22 GLN 72 - HE2 LYS 73 far 2 50 5 - 6.5-11.3 HD22 ASN 26 - HE2 LYS 24 far 0 95 0 - 6.9-10.0 HD22 ASN 26 - HE3 LYS 24 far 0 95 0 - 7.3-9.8 HE ARG 19 - HE3 LYS 12 far 0 88 0 - 8.6-13.9 H ARG 91 - HE3 LYS 24 far 0 96 0 - 9.4-14.6 HE ARG 46 - HE3 LYS 73 far 0 63 0 - 9.7-14.9 H ARG 91 - HE2 LYS 24 far 0 96 0 - 9.7-14.7 H ARG 91 - HE2 LYS 13 far 0 93 0 - 9.9-13.1 H ARG 91 - HE3 LYS 13 far 0 90 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2213 from cnoeabs.peaks (4.14, 2.97, 41.80 ppm; 4.01 A): 5 out of 12 assignments used, quality = 1.00: HA LYS 47 + HE2 LYS 47 OK 100 100 100 100 4.2-5.2 2127/3.8=38, 2126/3.8=38...(83) * HA LYS 47 + HE3 LYS 47 OK 100 100 100 100 4.2-5.5 2127/3.8=38, 2126/3.8=38...(83) HA LYS 13 + HE3 LYS 13 OK 87 87 100 100 4.4-5.4 486/3.8=56, 518/3.8=49...(54) HA LYS 73 + HE2 LYS 73 OK 48 54 90 98 4.4-5.5 3232/4.0=26, 3231/4.0=26...(65) HA LYS 73 + HE3 LYS 73 OK 43 44 100 98 4.4-5.4 3232/4.0=26, 3231/4.0=26...(64) HA LYS 13 - HE2 LYS 13 poor 18 90 20 - 4.7-6.4 HA LYS 13 - HE3 LYS 12 far 0 95 0 - 5.9-8.7 HA GLN 72 - HE3 LYS 73 far 0 59 0 - 7.4-8.6 HA GLN 72 - HE2 LYS 73 far 0 72 0 - 7.6-9.2 HA GLU 23 - HE2 LYS 24 far 0 95 0 - 8.3-9.4 HA GLU 23 - HE3 LYS 24 far 0 95 0 - 8.4-9.8 HB2 SER 59 - HE2 LYS 13 far 0 87 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 2214 from cnoeabs.peaks (1.97, 2.97, 41.80 ppm; 3.38 A): 10 out of 40 assignments used, quality = 1.00: HB2 LYS 47 + HE2 LYS 47 OK 99 100 100 99 2.2-4.6 4.9=33, 1.8/2155=15...(110) * HB2 LYS 47 + HE3 LYS 47 OK 99 100 100 99 2.0-4.3 4.9=33, 1.8/2154=15...(110) HB2 LYS 24 + HE3 LYS 24 OK 93 95 100 98 3.0-4.7 4.9=32, 3.0/12306=16...(101) HB2 LYS 24 + HE2 LYS 24 OK 89 95 95 99 2.5-5.1 4.9=32, 3.0/12306=19...(102) HB3 LYS 24 + HE2 LYS 24 OK 89 95 95 99 2.6-5.2 4.9=32, 3.0/12306=19...(102) HB3 LYS 24 + HE3 LYS 24 OK 84 95 90 98 2.7-5.2 4.9=32, 3.0/12306=16...(101) HB2 LYS 73 + HE2 LYS 73 OK 71 72 100 99 2.7-4.9 4.9=33, 3295/3.0=8...(117) HB3 LYS 73 + HE2 LYS 73 OK 71 72 100 99 3.6-4.1 4.9=33, 3295/3.0=8...(117) HB2 LYS 73 + HE3 LYS 73 OK 59 59 100 99 2.2-4.7 4.9=33, 3295/3.0=8...(117) HB3 LYS 73 + HE3 LYS 73 OK 58 59 100 99 2.5-4.5 4.9=33, 3295/3.0=8...(117) HB3 GLU 44 - HE2 LYS 47 far 11 73 15 - 4.3-7.2 HB2 ARG 46 - HE3 LYS 47 far 5 100 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 5 100 5 - 4.4-9.5 QE MET 74 - HE3 LYS 73 far 4 38 10 - 4.4-8.3 HB3 GLU 44 - HE3 LYS 47 far 4 73 5 - 4.8-8.2 QE MET 74 - HE2 LYS 73 far 2 47 5 - 4.6-8.2 HB3 ARG 46 - HE3 LYS 47 far 0 99 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 62 0 - 5.5-9.2 HB2 GLU 44 - HE3 LYS 47 far 0 73 0 - 5.6-8.9 HB3 ARG 46 - HE2 LYS 47 far 0 99 0 - 5.6-9.1 HB2 GLU 44 - HE2 LYS 47 far 0 73 0 - 5.7-8.2 HB2 GLU 17 - HE2 LYS 13 far 0 72 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 69 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 62 0 - 6.2-8.6 HB3 GLU 17 - HE3 LYS 13 far 0 50 0 - 6.3-9.9 HB3 GLU 17 - HE2 LYS 13 far 0 52 0 - 6.8-10.2 HB3 MET 74 - HE3 LYS 73 far 0 62 0 - 6.9-10.4 HB3 MET 74 - HE2 LYS 73 far 0 75 0 - 7.1-10.5 HB2 GLU 35 - HE2 LYS 73 far 0 38 0 - 7.2-12.2 HG3 GLU 88 - HE2 LYS 13 far 0 75 0 - 8.2-11.9 QE MET 74 - HE2 LYS 47 far 0 71 0 - 8.4-12.3 HB2 GLU 35 - HE3 LYS 73 far 0 30 0 - 8.4-11.4 QE MET 74 - HE3 LYS 47 far 0 71 0 - 8.8-12.4 HB3 ARG 19 - HE3 LYS 12 far 0 56 0 - 8.9-13.2 HB3 GLU 17 - HE2 LYS 24 far 0 55 0 - 9.0-14.4 HG3 GLU 88 - HE3 LYS 13 far 0 72 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 100 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 100 0 - 9.4-13.4 HB3 GLU 17 - HE3 LYS 24 far 0 55 0 - 9.4-14.5 HB2 GLU 17 - HE2 LYS 24 far 0 75 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 2215 from cnoeabs.peaks (1.92, 2.97, 41.80 ppm; 3.25 A): 14 out of 43 assignments used, quality = 1.00: HB3 LYS 47 + HE2 LYS 47 OK 99 100 100 99 2.0-3.5 4.9=30, 2155/1.8=14...(116) * HB3 LYS 47 + HE3 LYS 47 OK 99 100 100 99 2.1-4.4 4.9=30, 2155/1.8=14...(116) HB2 LYS 13 + HE2 LYS 13 OK 90 92 100 98 2.3-4.1 5.0=27, 3.0/474=14...(94) HB3 LYS 13 + HE2 LYS 13 OK 89 91 100 98 2.9-4.7 5.0=27, 3.0/474=14...(92) HB2 LYS 13 + HE3 LYS 13 OK 87 89 100 98 2.0-3.4 5.0=27, 3.0/474=14...(90) HB3 LYS 13 + HE3 LYS 13 OK 86 87 100 98 2.7-3.4 5.0=27, 3.0/474=14...(90) HB2 LYS 24 + HE3 LYS 24 OK 53 55 100 97 3.0-4.7 4.9=28, 3.0/12306=15...(98) HB2 LYS 24 + HE2 LYS 24 OK 51 55 95 97 2.5-5.1 4.9=28, 3.0/12306=18...(98) HB3 LYS 24 + HE2 LYS 24 OK 51 55 95 97 2.6-5.2 4.9=28, 3.0/12306=18...(98) HB3 LYS 73 + HE2 LYS 73 OK 47 48 100 98 3.6-4.1 4.9=29, 4.1/7211=7...(114) HB3 LYS 73 + HE3 LYS 73 OK 38 39 100 98 2.5-4.5 4.9=29, 4.1/7211=7...(115) HB2 LYS 73 + HE3 LYS 73 OK 37 38 100 98 2.2-4.7 4.9=29, 4.1/7211=7...(115) HB2 LYS 73 + HE2 LYS 73 OK 37 47 80 98 2.7-4.9 4.9=29, 4.1/7211=7...(114) HB3 LYS 24 + HE3 LYS 24 OK 29 55 55 97 2.7-5.2 4.9=28, 3.0/12306=15...(98) HB2 LYS 94 - HE3 LYS 24 far 5 96 5 - 4.0-12.3 HB2 GLU 43 - HE2 LYS 47 far 5 94 5 - 4.7-8.5 HB3 LEU 14 - HE2 LYS 13 far 0 79 0 - 5.1-6.2 HB2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.3-12.1 HB3 LEU 14 - HE3 LYS 13 far 0 76 0 - 5.4-7.2 HB2 GLU 43 - HE3 LYS 47 far 0 94 0 - 5.4-9.4 HB3 ARG 46 - HE3 LYS 47 far 0 68 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 93 0 - 5.5-9.2 HB3 ARG 46 - HE2 LYS 47 far 0 68 0 - 5.6-9.1 HB2 GLU 17 - HE2 LYS 13 far 0 85 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 82 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 93 0 - 6.2-8.6 HB2 LYS 20 - HE2 LYS 24 far 0 60 0 - 6.9-10.5 HB3 MET 74 - HE3 LYS 73 far 0 31 0 - 6.9-10.4 HB3 MET 74 - HE2 LYS 73 far 0 39 0 - 7.1-10.5 HB3 LYS 13 - HE3 LYS 12 far 0 96 0 - 7.2-9.3 HB2 LYS 20 - HE3 LYS 24 far 0 60 0 - 7.9-9.9 HG3 GLU 88 - HE2 LYS 13 far 0 83 0 - 8.2-11.9 HB2 LYS 13 - HE3 LYS 12 far 0 97 0 - 8.3-10.6 HB2 ARG 19 - HE3 LYS 12 far 0 69 0 - 8.6-12.0 HB2 LYS 33 - HE3 LYS 12 far 0 97 0 - 8.6-14.1 HB3 LEU 14 - HE3 LYS 12 far 0 85 0 - 8.9-10.6 HB3 ARG 19 - HE3 LYS 12 far 0 98 0 - 8.9-13.2 HG LEU 42 - HE2 LYS 73 far 0 54 0 - 9.1-14.2 HG3 GLU 88 - HE3 LYS 13 far 0 80 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 61 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 61 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 88 0 - 9.8-14.6 HG LEU 42 - HE3 LYS 73 far 0 44 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 2216 from cnoeabs.peaks (1.49, 2.97, 41.80 ppm; 2.97 A): 8 out of 33 assignments used, quality = 1.00: HG2 LYS 47 + HE2 LYS 47 OK 98 100 100 98 2.4-4.0 3.8=49, 1.8/2217=14...(100) * HG2 LYS 47 + HE3 LYS 47 OK 98 100 100 98 2.3-3.8 3.8=49, 1.8/2217=14...(100) HG3 LYS 24 + HE2 LYS 24 OK 85 88 100 97 2.0-3.9 3.7=51, 3.7/12306=12...(92) HG3 LYS 24 + HE3 LYS 24 OK 85 88 100 97 2.2-3.9 3.7=51, 3.7/12306=10...(92) HG3 LYS 13 + HE2 LYS 13 OK 84 92 100 91 2.1-3.6 3.8=47, 486/6.0=12...(69) HG3 LYS 13 + HE3 LYS 13 OK 82 89 100 92 2.0-3.6 3.8=47, 486/6.0=12...(69) HG2 LYS 73 + HE2 LYS 73 OK 73 76 100 97 2.1-4.0 4.0=41, 3297/3.0=12...(84) HG2 LYS 73 + HE3 LYS 73 OK 61 63 100 97 2.2-3.7 4.0=41, 3297/3.0=12...(91) HB2 LEU 14 - HE2 LYS 13 far 10 65 15 - 4.4-6.0 HB2 LEU 14 - HE3 LYS 13 far 0 62 0 - 4.7-7.1 HB2 LEU 38 - HE2 LYS 73 far 0 42 0 - 7.1-13.1 HG2 LYS 20 - HE2 LYS 24 far 0 62 0 - 7.4-11.4 HG2 LYS 20 - HE3 LYS 24 far 0 62 0 - 7.4-11.2 HG LEU 38 - HE2 LYS 73 far 0 48 0 - 7.6-14.2 HD3 LYS 40 - HE2 LYS 47 far 0 84 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 84 0 - 8.1-14.8 HG3 LYS 66 - HE3 LYS 73 far 0 63 0 - 8.1-13.3 HB2 LEU 38 - HE3 LYS 73 far 0 34 0 - 8.4-12.3 HG3 LYS 13 - HE3 LYS 12 far 0 97 0 - 8.6-10.0 HB2 LEU 27 - HE2 LYS 24 far 0 62 0 - 8.8-12.0 HG3 LYS 33 - HE3 LYS 12 far 0 94 0 - 9.0-14.0 HG LEU 38 - HE3 LYS 73 far 0 39 0 - 9.2-13.0 HG13 ILE 52 - HE2 LYS 47 far 0 70 0 - 9.2-12.7 HB2 LEU 27 - HE3 LYS 24 far 0 62 0 - 9.4-12.1 HG2 LYS 66 - HE3 LYS 73 far 0 63 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 71 0 - 9.4-13.6 HG3 ARG 91 - HE2 LYS 13 far 0 51 0 - 9.6-13.0 HD2 LYS 40 - HE2 LYS 47 far 0 82 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 82 0 - 9.6-13.6 HG LEU 2 - HE2 LYS 47 far 0 87 0 - 9.6-13.8 HG3 ARG 91 - HE3 LYS 13 far 0 48 0 - 9.7-14.1 HG3 LYS 66 - HE2 LYS 73 far 0 76 0 - 9.7-14.7 HG13 ILE 52 - HE3 LYS 47 far 0 70 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2217 from cnoeabs.peaks (1.62, 2.97, 41.80 ppm; 2.92 A): 7 out of 31 assignments used, quality = 1.00: HG3 LYS 47 + HE2 LYS 47 OK 97 100 100 97 2.4-4.0 3.8=47, 2177/1.8=12...(72) * HG3 LYS 47 + HE3 LYS 47 OK 97 100 100 97 2.4-3.8 3.8=47, 2177/1.8=12...(72) HG3 LYS 12 + HE3 LYS 12 OK 69 76 100 90 2.2-4.1 4.0=40, ~463=30, ~423=16...(37) HG3 LYS 73 + HE2 LYS 73 OK 55 59 100 93 2.1-3.8 4.0=39, 3298/3.0=14...(66) HG2 LYS 24 + HE2 LYS 24 OK 55 58 100 94 2.0-4.1 3.7=49, 3.7/12306=12...(71) HG2 LYS 24 + HE3 LYS 24 OK 55 58 100 94 2.0-4.2 3.7=49, 3.7/12306=10...(71) HG3 LYS 73 + HE3 LYS 73 OK 45 48 100 93 2.0-3.2 4.0=39, 3298/3.0=14...(66) HD3 LYS 94 - HE3 LYS 24 far 4 79 5 - 4.0-11.5 HD3 LYS 39 - HE2 LYS 73 far 3 65 5 - 4.3-10.6 HD3 LYS 39 - HE3 LYS 73 far 3 53 5 - 4.1-10.1 HD2 LYS 39 - HE2 LYS 73 far 2 48 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 2 39 5 - 4.0-10.8 HD2 LYS 94 - HE3 LYS 24 far 0 96 0 - 4.9-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 79 0 - 5.0-12.0 HD2 LYS 94 - HE2 LYS 24 far 0 96 0 - 5.6-11.2 HG3 LYS 12 - HE3 LYS 13 far 0 67 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 52 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 50 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 79 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 79 0 - 7.8-10.8 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 55 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 51 0 - 8.3-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 52 0 - 8.4-12.7 HG2 LYS 68 - HE2 LYS 73 far 0 64 0 - 8.8-13.7 HG3 LYS 90 - HE3 LYS 24 far 0 55 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 63 0 - 9.1-14.3 HD2 LYS 68 - HE3 LYS 73 far 0 41 0 - 9.7-12.7 HB ILE 76 - HE2 LYS 73 far 0 62 0 - 9.8-13.0 HB2 LYS 40 - HE2 LYS 47 far 0 87 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2218 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.51 A): 18 out of 62 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-2.7 3.0=61, 3.0/2177=6...(44) HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2177=6...(45) HD3 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2177=6...(44) * HD2 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.3-2.8 3.0=61, 3.0/2176=6...(44) HD2 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.6-3.0 3.0=61, 4.9/12306=5...(53) HD2 LYS 24 + HE3 LYS 24 OK 78 90 100 87 2.2-3.0 3.0=61, 1110/3.7=5...(53) HD3 LYS 24 + HE2 LYS 24 OK 77 89 100 87 2.2-3.0 3.0=61, 4.9/12306=5...(53) HD3 LYS 24 + HE3 LYS 24 OK 77 89 100 87 2.6-3.0 3.0=61, 1110/3.7=5...(53) HD2 LYS 12 + HE3 LYS 12 OK 73 88 100 84 2.2-3.0 3.0=60, ~463=13...(28) HD3 LYS 12 + HE3 LYS 12 OK 73 88 100 83 2.3-3.0 3.0=60, ~463=13...(28) HD2 LYS 13 + HE2 LYS 13 OK 72 82 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 70 79 100 88 2.2-2.9 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 69 78 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE3 LYS 13 OK 67 76 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 73 + HE2 LYS 73 OK 59 71 100 83 2.7-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 58 69 100 84 2.2-2.6 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 49 58 100 84 2.3-2.9 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 48 57 100 85 2.7-3.0 3.0=60, 3298/4.0=8...(45) HG2 PRO 86 - HE2 LYS 13 lone 12 89 80 16 2.0-5.3 3.8/12306=3, ~3842=2...(9) HG2 PRO 86 - HE3 LYS 13 lone 6 86 50 13 2.2-6.4 ~3842=2, ~3802=2...(8) HB3 LEU 70 - HE2 LYS 73 far 4 44 10 - 3.3-8.1 HD2 LYS 39 - HE2 LYS 73 far 3 57 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 2 46 5 - 4.0-10.8 HD3 LYS 39 - HE3 LYS 73 far 0 30 0 - 4.1-10.1 HD3 LYS 39 - HE2 LYS 73 far 0 38 0 - 4.3-10.6 HG LEU 70 - HE2 LYS 73 far 0 66 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 35 0 - 4.6-7.4 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 94 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 54 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 83 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 51 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 86 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 63 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 88 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 85 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 82 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 31 0 - 8.4-12.7 HD2 LYS 12 - HE2 LYS 13 far 0 82 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 89 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 39 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 89 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 85 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 89 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 9.5-14.2 HB3 ARG 91 - HE3 LYS 24 far 0 96 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 44 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 42 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 70 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2219 from cnoeabs.peaks (1.68, 2.97, 41.80 ppm; 2.51 A): 18 out of 60 assignments used, quality = 1.00: HD3 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.2-2.7 3.0=61, 3.0/2177=6...(44) HD2 LYS 47 + HE2 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2176=6...(45) * HD3 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.9-3.0 3.0=61, 3.0/2177=6...(44) HD2 LYS 47 + HE3 LYS 47 OK 86 100 100 86 2.3-2.8 3.0=61, 3.0/2177=6...(44) HD2 LYS 24 + HE2 LYS 24 OK 79 90 100 87 2.6-3.0 3.0=61, 4.9/12306=5...(53) HD2 LYS 24 + HE3 LYS 24 OK 79 90 100 87 2.2-3.0 3.0=61, 1110/3.7=5...(53) HD3 LYS 24 + HE2 LYS 24 OK 78 90 100 87 2.2-3.0 3.0=61, 4.9/12306=5...(53) HD3 LYS 24 + HE3 LYS 24 OK 78 90 100 87 2.6-3.0 3.0=61, 1110/3.7=5...(53) HD2 LYS 12 + HE3 LYS 12 OK 74 89 100 84 2.2-3.0 3.0=60, ~463=13...(28) HD3 LYS 12 + HE3 LYS 12 OK 74 89 100 83 2.3-3.0 3.0=60, ~463=13...(28) HD2 LYS 13 + HE2 LYS 13 OK 73 83 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE2 LYS 13 OK 71 80 100 88 2.2-2.9 2.9=63, 3.0/474=8...(46) HD2 LYS 13 + HE3 LYS 13 OK 70 80 100 88 2.3-3.0 2.9=63, 3.0/474=8...(46) HD3 LYS 13 + HE3 LYS 13 OK 68 77 100 88 2.2-3.0 2.9=63, 3.0/474=8...(46) HD2 LYS 73 + HE2 LYS 73 OK 58 70 100 83 2.7-3.0 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE2 LYS 73 OK 58 68 100 84 2.2-2.6 3.0=60, 3298/4.0=8...(45) HD2 LYS 73 + HE3 LYS 73 OK 48 58 100 84 2.3-2.9 3.0=60, 3298/4.0=8...(41) HD3 LYS 73 + HE3 LYS 73 OK 47 56 100 85 2.7-3.0 3.0=60, 3298/4.0=8...(45) HG2 PRO 86 - HE2 LYS 13 lone 12 90 80 16 2.0-5.3 3.8/12306=3, ~3842=2...(10) HG2 PRO 86 - HE3 LYS 13 lone 6 87 50 13 2.2-6.4 ~3842=2, ~3802=2...(9) HB3 LEU 70 - HE2 LYS 73 far 5 45 10 - 3.3-8.1 HD2 LYS 39 - HE2 LYS 73 far 3 55 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 2 45 5 - 4.0-10.8 HG LEU 70 - HE2 LYS 73 far 0 67 0 - 4.6-9.2 HB3 LEU 70 - HE3 LYS 73 far 0 36 0 - 4.6-7.4 HG3 LYS 20 - HE2 LYS 24 far 0 94 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 95 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 55 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 84 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 94 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 52 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 87 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 94 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 89 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 87 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 80 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 83 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 30 0 - 8.4-12.7 HD2 LYS 12 - HE2 LYS 13 far 0 83 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 80 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 95 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 90 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 38 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 90 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 99 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 86 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 89 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 89 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 94 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 90 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 98 0 - 9.5-14.2 HB3 ARG 91 - HE3 LYS 24 far 0 96 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 99 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 42 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 93 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 41 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 68 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 2220 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 96 96 - 100 HE3 LYS 24 + HE3 LYS 24 OK 92 92 - 100 HE2 LYS 24 + HE2 LYS 24 OK 92 92 - 100 HE2 LYS 13 + HE2 LYS 13 OK 88 88 - 100 HE3 LYS 13 + HE3 LYS 13 OK 83 83 - 100 HE2 LYS 73 + HE2 LYS 73 OK 61 61 - 100 HE3 LYS 73 + HE3 LYS 73 OK 44 44 - 100 Reference assignment not found: HE2 LYS 47 - HE3 LYS 47 Peak 2221 from cnoeabs.peaks (2.97, 2.97, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE2 LYS 47 + HE2 LYS 47 OK 100 100 - 100 * HE3 LYS 47 + HE3 LYS 47 OK 100 100 - 100 HE3 LYS 12 + HE3 LYS 12 OK 96 96 - 100 HE3 LYS 24 + HE3 LYS 24 OK 92 92 - 100 HE2 LYS 24 + HE2 LYS 24 OK 92 92 - 100 HE2 LYS 13 + HE2 LYS 13 OK 88 88 - 100 HE3 LYS 13 + HE3 LYS 13 OK 83 83 - 100 HE2 LYS 73 + HE2 LYS 73 OK 61 61 - 100 HE3 LYS 73 + HE3 LYS 73 OK 44 44 - 100 Peak 2222 from cnoeabs.peaks (7.62, 2.97, 41.80 ppm; 5.09 A): 2 out of 9 assignments used, quality = 1.00: H GLU 48 + HE2 LYS 47 OK 100 100 100 100 4.2-6.0 6783/4.9=64, 2144/4.9=64...(13) * H GLU 48 + HE3 LYS 47 OK 70 100 70 100 4.3-7.1 6783/4.9=64, 2144/4.9=64...(12) H GLU 44 - HE2 LYS 47 far 15 97 15 - 5.7-8.2 H GLU 44 - HE3 LYS 47 far 5 97 5 - 5.3-8.6 HD22 ASN 10 - HE3 LYS 12 lone 0 96 30 2 4.4-12.3 HE22 GLN 50 - HE3 LYS 47 far 0 99 0 - 8.4-15.0 H LYS 40 - HE2 LYS 73 far 0 67 0 - 8.6-13.5 HE22 GLN 50 - HE2 LYS 47 far 0 99 0 - 8.8-15.7 H LYS 40 - HE3 LYS 73 far 0 55 0 - 9.0-12.9 Violated in 11 structures by 0.14 A. Peak 2223 from cnoeabs.peaks (7.62, 4.43, 55.95 ppm; 3.49 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + HA GLU 48 OK 100 100 100 100 2.8-2.9 3.0=100 HE22 GLN 50 - HA GLU 48 poor 19 99 35 54 3.8-11.2 6.6/12314=14...(10) H GLU 44 - HA GLU 48 far 0 97 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 2224 from cnoeabs.peaks (4.43, 4.43, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 48 + HA GLU 48 OK 100 100 - 100 Peak 2225 from cnoeabs.peaks (2.30, 4.43, 55.95 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 48 + HA GLU 48 OK 66 68 100 98 2.7-4.0 1.8/2228=52, 4.1=47...(21) Violated in 0 structures by 0.00 A. Peak 2226 from cnoeabs.peaks (2.05, 4.43, 55.95 ppm; 3.43 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 48 + HA GLU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 GLN 50 + HA GLU 48 OK 40 87 65 70 3.9-9.6 4.0/12314=33...(12) Violated in 0 structures by 0.00 A. Peak 2227 from cnoeabs.peaks (2.33, 4.43, 55.95 ppm; 3.37 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 48 + HA GLU 48 OK 100 100 100 100 2.7-4.0 1.8/2228=57, 4.1=54...(23) HB2 GLU 48 + HA GLU 48 OK 68 68 100 100 2.2-3.0 3.0=100 HG3 GLU 44 - HA GLU 48 far 0 92 0 - 8.3-12.1 Violated in 0 structures by 0.00 A. Peak 2228 from cnoeabs.peaks (2.43, 4.43, 55.95 ppm; 3.86 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 48 + HA GLU 48 OK 100 100 100 100 3.3-4.2 4.1=81, 6794/3.0=57...(23) HG2 GLN 50 - HA GLU 48 far 12 79 15 - 3.6-9.1 HG3 GLN 50 - HA GLU 48 far 10 100 10 - 3.2-9.6 Violated in 5 structures by 0.06 A. Peak 2229 from cnoeabs.peaks (7.72, 4.43, 55.95 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H SER 49 + HA GLU 48 OK 100 100 100 100 2.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2230 from cnoeabs.peaks (7.62, 2.30, 29.70 ppm; 3.84 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.7-3.6 6792/1.8=90, 4.0=86...(17) HE22 GLN 50 + HB2 GLU 48 OK 34 99 50 69 1.9-10.0 9091/9038=26...(12) H GLU 44 - HB2 GLU 48 far 0 97 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 2231 from cnoeabs.peaks (4.43, 2.30, 29.70 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HA GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 50 + HB2 GLU 48 OK 24 77 35 90 4.8-8.6 ~12314=24, 3.0/9031=21...(21) HA LEU 2 - HB2 GLU 48 far 0 68 0 - 7.5-9.8 HA ILE 76 - HB2 GLU 48 far 0 100 0 - 8.0-11.4 Violated in 0 structures by 0.00 A. Peak 2232 from cnoeabs.peaks (2.30, 2.30, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 Peak 2233 from cnoeabs.peaks (2.05, 2.30, 29.70 ppm; 2.91 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 48 + HB2 GLU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLN 50 + HB2 GLU 48 OK 28 87 60 54 2.8-10.3 2226/3.0=11...(13) HG2 GLU 28 - HB2 GLU 48 far 0 96 0 - 8.4-15.4 HG3 GLU 28 - HB2 GLU 48 far 0 96 0 - 9.0-13.9 Violated in 0 structures by 0.00 A. Peak 2234 from cnoeabs.peaks (2.33, 2.30, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HB2 GLU 48 + HB2 GLU 48 OK 68 68 - 100 Reference assignment not found: HG2 GLU 48 - HB2 GLU 48 Peak 2235 from cnoeabs.peaks (2.43, 2.30, 29.70 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 48 + HB2 GLU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLN 50 - HB2 GLU 48 far 10 100 10 - 4.6-10.8 HG2 GLN 50 - HB2 GLU 48 far 4 79 5 - 3.2-9.1 HG3 MET 1 - HB2 GLU 48 far 0 99 0 - 8.4-10.7 HB3 TYR 4 - HB2 GLU 48 far 0 79 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 2236 from cnoeabs.peaks (7.72, 2.30, 29.70 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H SER 49 + HB2 GLU 48 OK 100 100 100 100 2.1-4.6 4.6=91, 6798/3.0=82...(18) Violated in 1 structures by 0.01 A. Peak 2237 from cnoeabs.peaks (7.62, 2.05, 29.70 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.1-3.7 6792=100, 6791/1.8=49...(16) HE22 GLN 50 + HB3 GLU 48 OK 24 99 50 49 3.6-11.1 2230/1.8=16, 9086/3.0=10...(11) H GLU 44 - HB3 GLU 48 far 0 97 0 - 6.9-10.8 Violated in 3 structures by 0.01 A. Peak 2238 from cnoeabs.peaks (4.43, 2.05, 29.70 ppm; 3.80 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HA GLN 50 + HB3 GLU 48 OK 20 77 30 87 4.9-8.1 ~12314=23, ~11027=19...(19) HB THR 84 - HB3 GLU 88 far 0 29 0 - 6.3-7.3 HA LEU 2 - HB3 GLU 48 far 0 68 0 - 7.3-11.0 HA ILE 76 - HB3 GLU 48 far 0 100 0 - 7.4-11.4 HA HIS 106 - HB2 GLU 99 far 0 59 0 - 7.5-17.1 HA ALA 25 - HB3 GLU 98 far 0 56 0 - 7.7-9.9 HA ALA 25 - HB2 GLU 98 far 0 56 0 - 7.8-9.7 HA HIS 106 - HB3 GLU 99 far 0 55 0 - 7.9-17.0 HA HIS 106 - HB3 GLU 88 far 0 25 0 - 8.6-21.6 Violated in 0 structures by 0.00 A. Peak 2239 from cnoeabs.peaks (2.30, 2.05, 29.70 ppm; 2.76 A): 2 out of 10 assignments used, quality = 1.00: * HB2 GLU 48 + HB3 GLU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 48 + HB3 GLU 48 OK 65 68 100 96 2.3-3.0 3.0=77, ~2253=22...(18) HG2 GLU 95 - HB2 GLU 98 far 0 44 0 - 5.3-7.1 HG2 GLU 95 - HB2 GLU 99 far 0 51 0 - 5.8-8.8 HG2 GLU 95 - HB3 GLU 99 far 0 48 0 - 5.8-8.4 HG2 GLU 95 - HB3 GLU 98 far 0 44 0 - 6.8-8.7 HD3 ARG 81 - HB3 GLU 88 far 0 29 0 - 7.3-10.5 HB2 TYR 4 - HB3 GLU 48 far 0 100 0 - 8.1-12.1 HG2 GLU 95 - HB3 GLU 88 far 0 21 0 - 9.3-11.9 HG3 GLU 43 - HB3 GLU 48 far 0 87 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 2240 from cnoeabs.peaks (2.05, 2.05, 29.70 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 71 71 - 100 HB3 GLU 99 + HB3 GLU 99 OK 64 64 - 100 HB2 GLU 98 + HB2 GLU 98 OK 62 62 - 100 HB3 GLU 98 + HB3 GLU 98 OK 61 61 - 100 Peak 2241 from cnoeabs.peaks (2.33, 2.05, 29.70 ppm; 2.95 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=94, 716/1.8=35...(20) HB2 GLU 48 + HB3 GLU 48 OK 68 68 100 100 1.8-1.8 1.8=100 HG3 GLU 44 - HB3 GLU 48 far 0 92 0 - 7.2-12.0 HD3 ARG 81 - HB3 GLU 88 far 0 22 0 - 7.3-10.5 HG3 GLU 43 - HB3 GLU 48 far 0 99 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 2242 from cnoeabs.peaks (2.43, 2.05, 29.70 ppm; 3.34 A): 4 out of 14 assignments used, quality = 1.00: * HG3 GLU 48 + HB3 GLU 48 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 69 69 100 100 2.4-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 64 64 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 98 OK 24 60 85 48 2.9-6.8 4428/4.6=27, 4.1/4400=9...(8) HG3 GLU 99 - HB3 GLU 98 poor 16 59 55 49 4.1-7.7 4428/4.6=27, 4.1/4400=8...(13) HG2 GLN 50 - HB3 GLU 48 far 4 79 5 - 4.5-9.6 HG3 GLN 50 - HB3 GLU 48 far 0 100 0 - 5.1-10.5 HG3 MET 1 - HB3 GLU 48 far 0 99 0 - 8.3-12.2 HB3 TYR 4 - HB3 GLU 48 far 0 79 0 - 8.7-13.1 HG3 MET 1 - HB3 GLU 99 far 0 63 0 - 8.8-12.7 HB2 ASP 11 - HB3 GLU 88 far 0 31 0 - 8.9-10.4 HG3 GLU 17 - HB3 GLU 88 far 0 31 0 - 8.9-11.8 HG3 MET 1 - HB2 GLU 99 far 0 67 0 - 9.0-11.7 HG3 MET 21 - HB3 GLU 88 far 0 20 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 2243 from cnoeabs.peaks (7.72, 2.05, 29.70 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * H SER 49 + HB3 GLU 48 OK 100 100 100 100 2.1-4.7 4.6=90, 6798/3.0=82...(15) H ASN 60 - HB3 GLU 88 far 0 31 0 - 9.7-10.2 H ALA 25 - HB2 GLU 98 far 0 56 0 - 9.9-11.6 Violated in 2 structures by 0.02 A. Peak 2244 from cnoeabs.peaks (7.62, 2.33, 35.74 ppm; 3.88 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 48 + HG2 GLU 48 OK 100 100 100 100 1.8-3.4 6794/1.8=74, 6792/3.0=70...(17) H GLU 44 + HG3 GLU 44 OK 77 77 100 100 2.2-3.9 6713/1.8=74, 3.0/1996=55...(20) HE22 GLN 50 - HG2 GLU 48 far 5 99 5 - 4.5-12.3 H LYS 40 - HG3 GLU 44 far 0 74 0 - 6.6-9.7 H GLU 48 - HG3 GLU 44 far 0 83 0 - 7.0-9.5 H GLU 44 - HG2 GLU 48 far 0 97 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 2245 from cnoeabs.peaks (4.43, 2.33, 35.74 ppm; 4.13 A): 1 out of 8 assignments used, quality = 1.00: * HA GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.7-4.0 4.1=100 HA GLN 50 - HG2 GLU 48 far 0 77 0 - 5.9-8.7 HA ILE 76 - HG2 GLU 48 far 0 100 0 - 7.0-11.2 HA LEU 2 - HG2 GLU 48 far 0 68 0 - 7.1-11.4 HA GLU 48 - HG3 GLU 44 far 0 83 0 - 8.3-12.1 HA MET 21 - HG2 GLU 16 far 0 74 0 - 8.3-11.8 HA ILE 76 - HG3 GLU 44 far 0 83 0 - 9.6-13.3 HA HIS 106 - HG3 GLU 69 far 0 80 0 - 9.7-25.0 Violated in 0 structures by 0.00 A. Peak 2246 from cnoeabs.peaks (2.30, 2.33, 35.74 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HG2 GLU 48 + HG2 GLU 48 OK 68 68 - 100 Reference assignment not found: HB2 GLU 48 - HG2 GLU 48 Peak 2247 from cnoeabs.peaks (2.05, 2.33, 35.74 ppm; 3.01 A): 2 out of 16 assignments used, quality = 1.00: * HB3 GLU 48 + HG2 GLU 48 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 16 + HG2 GLU 16 OK 60 60 100 100 2.3-3.0 3.0=100 HB3 GLU 43 - HG3 GLU 44 far 7 74 10 - 3.3-5.6 HB2 GLN 50 - HG2 GLU 48 far 0 87 0 - 5.3-10.0 HB3 GLU 48 - HG3 GLU 44 far 0 83 0 - 7.2-12.0 HB3 GLU 35 - HG3 GLU 69 far 0 61 0 - 7.9-10.8 HG2 GLU 28 - HG3 GLU 44 far 0 75 0 - 8.5-13.5 HB3 LEU 38 - HG3 GLU 69 far 0 74 0 - 8.8-11.6 HB2 MET 74 - HG3 GLU 44 far 0 76 0 - 8.9-11.8 HB2 MET 21 - HG2 GLU 16 far 0 82 0 - 9.1-12.1 HB3 GLU 43 - HG2 GLU 48 far 0 95 0 - 9.1-11.1 HB2 MET 74 - HG2 GLU 48 far 0 96 0 - 9.3-12.9 HB2 GLU 62 - HG3 GLU 69 far 0 63 0 - 9.5-12.8 HG2 GLU 28 - HG2 GLU 48 far 0 96 0 - 9.5-14.7 HG3 GLU 28 - HG2 GLU 48 far 0 96 0 - 9.5-13.3 HG3 GLU 28 - HG3 GLU 44 far 0 75 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 2248 from cnoeabs.peaks (2.33, 2.33, 35.74 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 48 + HG2 GLU 48 OK 100 100 - 100 HG3 GLU 69 + HG3 GLU 69 OK 91 91 - 100 HG2 GLU 16 + HG2 GLU 16 OK 82 82 - 100 HG3 GLU 44 + HG3 GLU 44 OK 71 71 - 100 Peak 2249 from cnoeabs.peaks (2.43, 2.33, 35.74 ppm; 2.54 A): 1 out of 12 assignments used, quality = 1.00: * HG3 GLU 48 + HG2 GLU 48 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLN 72 - HG3 GLU 69 far 5 92 5 - 3.7-6.0 HG3 GLU 17 - HG2 GLU 16 far 4 83 5 - 2.8-7.3 HG2 GLN 50 - HG2 GLU 48 far 0 79 0 - 5.8-10.7 HG3 GLU 48 - HG3 GLU 44 far 0 83 0 - 6.6-11.1 HG3 GLN 50 - HG2 GLU 48 far 0 100 0 - 6.6-10.5 HB3 TYR 4 - HG3 GLU 44 far 0 58 0 - 6.7-11.9 HG3 MET 21 - HG2 GLU 16 far 0 58 0 - 7.1-12.3 HB3 MET 21 - HG2 GLU 16 far 0 57 0 - 7.4-11.6 HG3 MET 1 - HG2 GLU 48 far 0 99 0 - 7.6-12.6 HB3 TYR 4 - HG2 GLU 48 far 0 79 0 - 8.6-11.8 HB2 ASP 11 - HG2 GLU 16 far 0 82 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 2250 from cnoeabs.peaks (7.72, 2.33, 35.74 ppm; 4.84 A): 1 out of 4 assignments used, quality = 1.00: * H SER 49 + HG2 GLU 48 OK 100 100 100 100 1.8-4.5 6798/4.1=73, 2243/3.0=72...(16) H SER 49 - HG3 GLU 44 far 0 83 0 - 7.7-11.3 H MET 74 - HG3 GLU 69 far 0 80 0 - 7.8-10.1 H LEU 64 - HG3 GLU 69 far 0 91 0 - 8.1-11.2 Violated in 0 structures by 0.00 A. Peak 2251 from cnoeabs.peaks (7.62, 2.43, 35.74 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 48 + HG3 GLU 48 OK 100 100 100 100 2.1-4.0 6794=100, 6792/3.0=76...(20) HE22 GLN 50 - HG3 GLU 48 far 10 99 10 - 3.6-11.8 H GLU 44 - HG3 GLU 48 far 0 97 0 - 7.2-10.6 Violated in 0 structures by 0.00 A. Peak 2252 from cnoeabs.peaks (4.43, 2.43, 35.74 ppm; 4.18 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 48 + HG3 GLU 48 OK 100 100 100 100 3.3-4.2 4.1=100 HA GLN 50 - HG3 GLU 48 far 0 77 0 - 6.4-8.2 HA LEU 2 - HG3 GLU 48 far 0 68 0 - 6.5-10.1 HA ILE 76 - HG3 GLU 48 far 0 100 0 - 7.2-10.3 HA HIS 106 - HG3 GLU 99 far 0 67 0 - 7.8-18.5 HA MET 21 - HG3 GLU 17 far 0 75 0 - 8.5-9.7 HA LEU 2 - HG3 GLU 99 far 0 47 0 - 9.7-14.5 Violated in 3 structures by 0.01 A. Peak 2253 from cnoeabs.peaks (2.30, 2.43, 35.74 ppm; 2.46 A): 2 out of 5 assignments used, quality = 0.98: * HB2 GLU 48 + HG3 GLU 48 OK 94 100 100 94 2.2-3.0 3.0=54, 716/1.8=27...(23) HG2 GLU 48 + HG3 GLU 48 OK 68 68 100 100 1.8-1.8 1.8=100 HG3 GLU 16 - HG3 GLU 17 far 4 84 5 - 2.0-6.5 HG2 GLU 95 - HG3 GLU 99 far 0 59 0 - 5.1-9.1 HB2 TYR 4 - HG3 GLU 48 far 0 100 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 2254 from cnoeabs.peaks (2.05, 2.43, 35.74 ppm; 2.87 A): 3 out of 15 assignments used, quality = 1.00: * HB3 GLU 48 + HG3 GLU 48 OK 99 100 100 99 2.2-3.0 3.0=86, 1.8/2253=45...(22) HB2 GLU 99 + HG3 GLU 99 OK 78 79 100 98 2.4-3.0 3.0=90, ~4402=18...(19) HB3 GLU 99 + HG3 GLU 99 OK 75 77 100 98 2.2-3.0 3.0=90, ~4402=18...(17) HB2 GLU 98 - HG3 GLU 99 poor 15 79 65 30 2.9-6.8 4.6/7612=12, 4400/4.1=6...(6) HB2 GLU 16 - HG3 GLU 17 poor 12 61 65 31 3.2-5.8 6250/6258=21, 697/3.9=7...(4) HB3 GLU 98 - HG3 GLU 99 poor 11 79 45 32 4.1-7.7 4.6/7612=12, 4400/4.1=6...(5) HB2 GLN 50 - HG3 GLU 48 far 0 87 0 - 4.9-9.9 HB3 LYS 94 - HG3 GLU 99 far 0 61 0 - 6.1-10.6 HB2 MET 21 - HG3 GLU 17 far 0 84 0 - 7.9-9.6 HG3 GLU 28 - HG3 GLU 48 far 0 96 0 - 8.3-12.5 HB3 GLU 88 - HG3 GLU 17 far 0 58 0 - 8.9-11.8 HB3 GLU 43 - HG3 GLU 48 far 0 95 0 - 9.1-12.2 HB2 MET 74 - HG3 GLU 48 far 0 96 0 - 9.2-14.2 HG2 GLU 28 - HG3 GLU 48 far 0 96 0 - 9.2-13.9 HG12 ILE 93 - HG3 GLU 99 far 0 77 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 2255 from cnoeabs.peaks (2.33, 2.43, 35.74 ppm; 2.42 A): 2 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 HB2 GLU 48 + HG3 GLU 48 OK 61 68 100 90 2.2-3.0 3.0=52, 3.0/2228=20...(20) HG2 GLU 16 - HG3 GLU 17 far 4 83 5 - 2.8-7.3 HG3 GLU 16 - HG3 GLU 17 far 2 50 5 - 2.0-6.5 HG3 GLU 44 - HG3 GLU 48 far 0 92 0 - 6.6-11.1 Violated in 0 structures by 0.00 A. Peak 2256 from cnoeabs.peaks (2.43, 2.43, 35.74 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 48 + HG3 GLU 48 OK 100 100 - 100 HG3 GLU 17 + HG3 GLU 17 OK 84 84 - 100 HG3 GLU 99 + HG3 GLU 99 OK 77 77 - 100 Peak 2257 from cnoeabs.peaks (7.72, 2.43, 35.74 ppm; 6.08 A): 1 out of 2 assignments used, quality = 1.00: * H SER 49 + HG3 GLU 48 OK 100 100 100 100 2.0-5.0 2250/1.8=99...(17) H SER 85 - HG3 GLU 17 far 0 47 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 2258 from cnoeabs.peaks (7.72, 4.24, 59.37 ppm; 3.67 A): 1 out of 3 assignments used, quality = 1.00: * H SER 49 + HA SER 49 OK 100 100 100 100 2.3-2.9 2.9=100 H VAL 78 - HA SER 49 far 0 79 0 - 7.5-13.5 H MET 74 - HA SER 49 far 0 91 0 - 9.9-15.4 Violated in 0 structures by 0.00 A. Peak 2259 from cnoeabs.peaks (4.24, 4.24, 59.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 49 + HA SER 49 OK 100 100 - 100 Peak 2260 from cnoeabs.peaks (4.06, 4.24, 59.37 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 49 + HA SER 49 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 46 + HA SER 49 OK 50 96 80 65 3.5-6.1 6804/2.9=17, 2270/3.0=17...(14) Violated in 0 structures by 0.00 A. Peak 2261 from cnoeabs.peaks (3.86, 4.24, 59.37 ppm; 3.30 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 49 + HA SER 49 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 43 - HA SER 49 far 0 84 0 - 8.4-10.3 HA ALA 71 - HA SER 49 far 0 99 0 - 9.4-14.8 Violated in 0 structures by 0.00 A. Peak 2262 from cnoeabs.peaks (8.55, 4.24, 59.37 ppm; 3.56 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 50 + HA SER 49 OK 99 100 100 99 2.3-3.0 3.6=99 H ASN 51 + HA SER 49 OK 66 97 75 90 3.9-5.5 9110=36, 9108/3.0=26...(15) H LEU 2 - HA SER 49 far 0 59 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 2263 from cnoeabs.peaks (7.72, 4.06, 63.12 ppm; 4.00 A): 1 out of 3 assignments used, quality = 1.00: * H SER 49 + HB2 SER 49 OK 100 100 100 100 2.4-4.0 3.9=100 H VAL 78 - HB2 SER 49 far 0 79 0 - 8.2-12.7 H MET 74 - HB2 SER 49 far 0 91 0 - 9.2-15.9 Violated in 0 structures by 0.00 A. Peak 2264 from cnoeabs.peaks (4.24, 4.06, 63.12 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 49 + HB2 SER 49 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2265 from cnoeabs.peaks (4.06, 4.06, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 49 + HB2 SER 49 OK 100 100 - 100 Peak 2266 from cnoeabs.peaks (3.86, 4.06, 63.12 ppm; 2.66 A): 1 out of 3 assignments used, quality = 1.00: * HB3 SER 49 + HB2 SER 49 OK 100 100 100 100 1.8-1.8 1.8=100 HA GLU 43 - HB2 SER 49 far 0 84 0 - 8.1-11.5 HA ALA 71 - HB2 SER 49 far 0 99 0 - 9.6-14.8 Violated in 0 structures by 0.00 A. Peak 2267 from cnoeabs.peaks (8.55, 4.06, 63.12 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 50 + HB2 SER 49 OK 100 100 100 100 2.4-4.5 4.3=100 H ASN 51 + HB2 SER 49 OK 51 97 55 96 2.2-6.7 9110/3.0=52, 9108/1.8=52...(10) H LEU 2 - HB2 SER 49 far 9 59 15 - 5.3-11.9 Violated in 0 structures by 0.00 A. Peak 2268 from cnoeabs.peaks (7.72, 3.86, 63.12 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * H SER 49 + HB3 SER 49 OK 100 100 100 100 2.5-3.2 3.9=100 H VAL 78 - HB3 SER 49 far 0 79 0 - 8.4-12.7 H MET 74 - HB3 SER 49 far 0 91 0 - 8.7-16.0 Violated in 0 structures by 0.00 A. Peak 2269 from cnoeabs.peaks (4.24, 3.86, 63.12 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 49 + HB3 SER 49 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2270 from cnoeabs.peaks (4.06, 3.86, 63.12 ppm; 2.65 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 49 + HB3 SER 49 OK 100 100 100 100 1.8-1.8 1.8=100 HA ARG 46 + HB3 SER 49 OK 48 96 80 62 2.0-6.3 2260/3.0=12...(16) Violated in 0 structures by 0.00 A. Peak 2271 from cnoeabs.peaks (3.86, 3.86, 63.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 49 + HB3 SER 49 OK 100 100 - 100 Peak 2272 from cnoeabs.peaks (8.55, 3.86, 63.12 ppm; 4.52 A): 1 out of 3 assignments used, quality = 1.00: * H GLN 50 + HB3 SER 49 OK 100 100 100 100 3.9-4.7 4.3=100 H ASN 51 - HB3 SER 49 poor 19 97 20 - 3.6-7.3 H LEU 2 - HB3 SER 49 poor 12 59 20 - 5.1-12.0 Violated in 16 structures by 0.06 A. Peak 2273 from cnoeabs.peaks (8.55, 4.40, 56.27 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 50 + HA GLN 50 OK 100 100 100 100 2.9-2.9 3.0=100 H ASN 51 + HA GLN 50 OK 96 97 100 99 2.1-3.6 3.6=94, 6830/3.0=41...(13) H LEU 2 - HA GLN 50 far 0 59 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 2274 from cnoeabs.peaks (4.40, 4.40, 56.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 50 + HA GLN 50 OK 100 100 - 100 Peak 2275 from cnoeabs.peaks (2.02, 4.40, 56.27 ppm; 3.45 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 50 + HA GLN 50 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 48 - HA GLN 50 far 4 87 5 - 4.9-8.1 HB3 MET 1 - HA GLN 50 far 0 91 0 - 6.9-9.9 HB2 MET 74 - HA GLN 50 far 0 59 0 - 9.1-14.9 QE MET 74 - HA GLN 50 far 0 90 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2276 from cnoeabs.peaks (2.17, 4.40, 56.27 ppm; 3.45 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLN 50 + HA GLN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 75 - HA GLN 50 far 0 59 0 - 6.7-12.4 HB3 GLU 75 - HA GLN 50 far 0 96 0 - 6.8-12.2 HG2 MET 1 - HA GLN 50 far 0 87 0 - 7.5-10.5 HG2 GLU 75 - HA GLN 50 far 0 100 0 - 9.0-14.5 HG3 GLU 75 - HA GLN 50 far 0 100 0 - 9.3-14.9 Violated in 0 structures by 0.00 A. Peak 2277 from cnoeabs.peaks (2.40, 4.40, 56.27 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLN 50 + HA GLN 50 OK 100 100 100 100 2.4-4.0 3.7=100 HG3 GLN 50 + HA GLN 50 OK 75 75 100 100 2.4-3.9 3.7=100 HG3 GLU 48 - HA GLN 50 far 0 79 0 - 6.4-8.2 HG3 MET 1 - HA GLN 50 far 0 94 0 - 6.6-9.5 Violated in 0 structures by 0.00 A. Peak 2278 from cnoeabs.peaks (2.43, 4.40, 56.27 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLN 50 + HA GLN 50 OK 99 100 100 99 2.4-3.9 3.7=99 HG2 GLN 50 + HA GLN 50 OK 75 75 100 99 2.4-4.0 3.7=99 HG3 GLU 48 - HA GLN 50 far 0 100 0 - 6.4-8.2 HG3 MET 1 - HA GLN 50 far 0 98 0 - 6.6-9.5 Violated in 0 structures by 0.00 A. Peak 2280 from cnoeabs.peaks (8.53, 4.40, 56.27 ppm; 3.50 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 51 + HA GLN 50 OK 100 100 100 100 2.1-3.6 6828=95, 6830/3.0=43...(13) H GLN 50 + HA GLN 50 OK 97 97 100 100 2.9-2.9 3.0=100 H LEU 2 - HA GLN 50 far 0 85 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 2281 from cnoeabs.peaks (8.55, 2.02, 28.95 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 50 + HB2 GLN 50 OK 99 100 100 99 2.2-3.2 4.0=77, 6814/1.8=68...(17) H ASN 51 + HB2 GLN 50 OK 95 97 100 98 1.9-4.6 6830/1.8=58, 6828/3.0=55...(16) H LEU 2 - HB2 GLN 50 far 0 59 0 - 6.2-9.9 H LYS 12 - HB3 GLU 17 far 0 82 0 - 9.5-11.5 H GLN 50 - HB2 GLU 44 far 0 52 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 2282 from cnoeabs.peaks (4.40, 2.02, 28.95 ppm; 3.56 A): 2 out of 9 assignments used, quality = 1.00: * HA GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 48 + HB2 GLN 50 OK 36 77 65 71 3.9-9.6 12314/4.0=25, 2226=16...(13) HA MET 21 - HB3 GLU 17 far 0 82 0 - 6.1-7.8 HA GLU 48 - HB3 GLU 44 far 0 33 0 - 7.0-10.4 HA ILE 76 - HB2 GLN 50 far 0 77 0 - 7.4-11.2 HA ALA 25 - HB3 GLU 98 far 0 40 0 - 7.7-9.9 HA ALA 25 - HB2 GLU 98 far 0 39 0 - 7.8-9.7 HA GLU 48 - HB2 GLU 44 far 0 33 0 - 7.9-10.5 HA SER 102 - HB2 GLU 98 far 0 37 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 2283 from cnoeabs.peaks (2.02, 2.02, 28.95 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 GLN 50 + HB2 GLN 50 OK 100 100 - 100 HB3 GLU 17 + HB3 GLU 17 OK 79 79 - 100 HB3 GLU 44 + HB3 GLU 44 OK 40 40 - 100 HB2 GLU 44 + HB2 GLU 44 OK 40 40 - 100 HB3 GLU 98 + HB3 GLU 98 OK 37 37 - 100 HB2 GLU 98 + HB2 GLU 98 OK 35 35 - 100 Peak 2284 from cnoeabs.peaks (2.17, 2.02, 28.95 ppm; 2.54 A): 1 out of 17 assignments used, quality = 1.00: * HB3 GLN 50 + HB2 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 PRO 86 - HB3 GLU 17 far 0 74 0 - 4.4-6.6 HB3 GLU 95 - HB2 GLU 98 far 0 38 0 - 4.7-5.7 HB3 GLU 16 - HB3 GLU 17 far 0 85 0 - 4.9-7.0 HB2 GLU 95 - HB2 GLU 98 far 0 28 0 - 5.4-6.6 HG2 GLU 43 - HB3 GLU 44 far 0 47 0 - 6.2-8.1 HB3 GLU 95 - HB3 GLU 98 far 0 40 0 - 6.3-7.4 HG2 GLU 43 - HB2 GLU 44 far 0 47 0 - 6.6-8.0 HG2 MET 1 - HB2 GLN 50 far 0 87 0 - 6.8-11.9 HB2 GLU 95 - HB3 GLU 98 far 0 29 0 - 7.0-8.3 HG2 GLU 104 - HB2 GLU 98 far 0 30 0 - 7.9-17.2 HB3 GLU 75 - HB2 GLN 50 far 0 96 0 - 7.9-14.3 HB2 GLU 75 - HB2 GLN 50 far 0 59 0 - 8.1-14.3 HG2 GLU 88 - HB3 GLU 17 far 0 56 0 - 8.8-11.0 HG2 GLU 104 - HB3 GLU 98 far 0 31 0 - 9.4-18.7 HG2 MET 1 - HB3 GLU 98 far 0 34 0 - 9.7-13.6 HB3 GLU 23 - HB3 GLU 17 far 0 74 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2285 from cnoeabs.peaks (2.40, 2.02, 28.95 ppm; 3.26 A): 3 out of 12 assignments used, quality = 1.00: * HG2 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 50 + HB2 GLN 50 OK 75 75 100 100 2.2-3.0 2.9=100 HG3 GLU 17 + HB3 GLU 17 OK 63 63 100 100 2.2-3.0 3.0=100 HG3 GLU 99 - HB2 GLU 98 poor 17 21 80 - 2.9-6.8 HG3 GLU 99 - HB3 GLU 98 poor 12 22 55 - 4.1-7.7 HG3 MET 21 - HB3 GLU 17 lone 6 87 40 16 3.6-8.1 730/2.9=3, ~730=3...(6) HB3 MET 21 - HB3 GLU 17 far 0 87 0 - 4.9-6.0 HG3 GLU 48 - HB2 GLN 50 far 0 79 0 - 4.9-9.9 HG3 GLU 48 - HB3 GLU 44 far 0 34 0 - 5.5-9.6 HG3 GLU 48 - HB2 GLU 44 far 0 34 0 - 5.8-10.5 HG3 MET 1 - HB2 GLN 50 far 0 94 0 - 6.8-10.4 HB2 ASP 11 - HB3 GLU 17 far 0 58 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 2286 from cnoeabs.peaks (2.43, 2.02, 28.95 ppm; 3.23 A): 3 out of 14 assignments used, quality = 1.00: * HG3 GLN 50 + HB2 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLU 17 + HB3 GLU 17 OK 87 87 100 100 2.2-3.0 3.0=100 HG2 GLN 50 + HB2 GLN 50 OK 75 75 100 100 2.2-3.0 2.9=100 HG3 GLU 99 - HB2 GLU 98 poor 15 42 80 45 2.9-6.8 4428/4.6=25, 4.1/4401=8...(8) HG3 GLU 99 - HB3 GLU 98 poor 11 44 55 47 4.1-7.7 4428/4.6=25, 4.1/4401=7...(13) HG3 MET 21 - HB3 GLU 17 lone 4 59 40 18 3.6-8.1 730/2.9=5, 741/1.8=4...(7) HB3 MET 21 - HB3 GLU 17 far 0 58 0 - 4.9-6.0 HG3 GLU 48 - HB2 GLN 50 far 0 100 0 - 4.9-9.9 HG3 GLU 48 - HB3 GLU 44 far 0 51 0 - 5.5-9.6 HG3 GLU 48 - HB2 GLU 44 far 0 51 0 - 5.8-10.5 HG3 MET 1 - HB2 GLN 50 far 0 98 0 - 6.8-10.4 HB3 TYR 4 - HB2 GLU 44 far 0 36 0 - 6.9-9.3 HB3 TYR 4 - HB3 GLU 44 far 0 36 0 - 7.4-9.7 HB2 ASP 11 - HB3 GLU 17 far 0 87 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 2288 from cnoeabs.peaks (8.53, 2.02, 28.95 ppm; 3.68 A): 2 out of 6 assignments used, quality = 1.00: * H ASN 51 + HB2 GLN 50 OK 99 100 100 99 1.9-4.6 6830/1.8=61, 6828/3.0=58...(19) H GLN 50 + HB2 GLN 50 OK 96 97 100 99 2.2-3.2 4.0=77, 6814/1.8=65...(19) H LEU 2 - HB2 GLN 50 far 0 85 0 - 6.2-9.9 H LYS 12 - HB3 GLU 17 far 0 64 0 - 9.5-11.5 H THR 31 - HB2 GLU 44 far 0 25 0 - 9.9-12.7 H GLN 50 - HB2 GLU 44 far 0 47 0 - 10.0-13.4 Violated in 0 structures by 0.00 A. Peak 2289 from cnoeabs.peaks (8.55, 2.17, 28.95 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * H GLN 50 + HB3 GLN 50 OK 100 100 100 100 2.4-3.8 6814=96, 6813/1.8=51...(12) H ASN 51 + HB3 GLN 50 OK 96 97 100 99 3.2-4.6 6830=75, 6828/3.0=59...(11) H LEU 2 - HB3 GLN 50 far 0 59 0 - 5.5-9.8 H LYS 12 - HB3 GLU 16 far 0 75 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2290 from cnoeabs.peaks (4.40, 2.17, 28.95 ppm; 3.50 A): 2 out of 6 assignments used, quality = 1.00: * HA GLN 50 + HB3 GLN 50 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 48 + HB3 GLN 50 OK 25 77 55 60 3.8-10.0 12314/6814=25...(9) HA MET 21 - HB3 GLU 23 far 0 62 0 - 5.0-7.0 HA ILE 76 - HB3 GLN 50 far 0 77 0 - 5.9-11.1 HA ALA 25 - HB3 GLU 23 far 0 61 0 - 7.6-8.4 HA MET 21 - HB3 GLU 16 far 0 75 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 2291 from cnoeabs.peaks (2.02, 2.17, 28.95 ppm; 2.53 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLN 50 + HB3 GLN 50 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 48 - HB3 GLN 50 poor 7 87 25 33 3.0-10.3 6813/6814=7, ~2233=6...(10) HB3 GLU 17 - HB3 GLU 16 far 0 72 0 - 4.9-7.0 HB3 MET 1 - HB3 GLN 50 far 0 91 0 - 6.5-10.9 HB2 MET 21 - HB3 GLU 23 far 0 48 0 - 6.5-8.4 HG12 ILE 93 - HB3 GLU 23 far 0 62 0 - 8.5-10.2 HB2 MET 21 - HB3 GLU 16 far 0 59 0 - 8.9-10.6 HB3 GLU 17 - HB3 GLU 23 far 0 59 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 2292 from cnoeabs.peaks (2.17, 2.17, 28.95 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLN 50 + HB3 GLN 50 OK 100 100 - 100 HB3 GLU 16 + HB3 GLU 16 OK 78 78 - 100 HB3 GLU 23 + HB3 GLU 23 OK 55 55 - 100 Peak 2293 from cnoeabs.peaks (2.40, 2.17, 28.95 ppm; 3.29 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLN 50 + HB3 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 GLN 50 + HB3 GLN 50 OK 75 75 100 100 2.2-3.0 2.9=100 HG3 GLU 17 - HB3 GLU 16 poor 9 56 60 27 3.1-6.3 6258/6251=18, 3.9/688=6...(4) HG3 GLU 48 - HB3 GLN 50 far 0 79 0 - 5.0-10.7 HG3 MET 1 - HB3 GLN 50 far 0 94 0 - 6.1-10.5 HB3 MET 21 - HB3 GLU 23 far 0 67 0 - 6.2-8.4 HG3 MET 21 - HB3 GLU 23 far 0 67 0 - 7.1-9.3 HG3 MET 21 - HB3 GLU 16 far 0 80 0 - 8.1-11.1 HB3 MET 21 - HB3 GLU 16 far 0 80 0 - 8.2-10.1 HB2 ASP 11 - HB3 GLU 16 far 0 52 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 2294 from cnoeabs.peaks (2.43, 2.17, 28.95 ppm; 3.35 A): 2 out of 10 assignments used, quality = 1.00: * HG3 GLN 50 + HB3 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLN 50 + HB3 GLN 50 OK 75 75 100 100 2.2-3.0 2.9=100 HG3 GLU 17 - HB3 GLU 16 poor 17 80 60 35 3.1-6.3 758/4.6=25, 3.9/688=7...(4) HG3 GLU 48 - HB3 GLN 50 far 0 100 0 - 5.0-10.7 HG3 MET 1 - HB3 GLN 50 far 0 98 0 - 6.1-10.5 HB3 MET 21 - HB3 GLU 23 far 0 42 0 - 6.2-8.4 HG3 MET 21 - HB3 GLU 23 far 0 43 0 - 7.1-9.3 HG3 MET 21 - HB3 GLU 16 far 0 53 0 - 8.1-11.1 HB3 MET 21 - HB3 GLU 16 far 0 52 0 - 8.2-10.1 HB2 ASP 11 - HB3 GLU 16 far 0 80 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 2296 from cnoeabs.peaks (8.53, 2.17, 28.95 ppm; 3.82 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 51 + HB3 GLN 50 OK 99 100 100 99 3.2-4.6 6830=78, 6828/3.0=62...(11) H GLN 50 + HB3 GLN 50 OK 96 97 100 99 2.4-3.8 6814=92, 6813/1.8=49...(12) H LEU 2 - HB3 GLN 50 far 0 85 0 - 5.5-9.8 H LYS 12 - HB3 GLU 16 far 0 58 0 - 7.1-9.0 Violated in 0 structures by 0.00 A. Peak 2297 from cnoeabs.peaks (8.55, 2.40, 33.91 ppm; 4.12 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 50 + HG2 GLN 50 OK 98 100 100 98 2.2-4.5 6814/2.9=66, 5.1=53...(14) H ASN 51 + HG2 GLN 50 OK 95 97 100 98 3.1-4.7 6830/2.9=58, 6828/3.7=57...(12) H LEU 2 - HG2 GLN 50 far 0 59 0 - 5.6-9.9 Violated in 0 structures by 0.00 A. Peak 2298 from cnoeabs.peaks (4.40, 2.40, 33.91 ppm; 3.99 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.4-4.0 3.7=100 HA GLU 48 - HG2 GLN 50 far 12 77 15 - 3.6-9.1 HA ILE 76 - HG2 GLN 50 far 0 77 0 - 7.0-12.1 HA MET 74 - HG2 GLN 72 far 0 70 0 - 7.2-9.2 HA ILE 76 - HG2 GLN 72 far 0 47 0 - 8.1-10.3 HA HIS 106 - HG2 GLN 72 far 0 69 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 2299 from cnoeabs.peaks (2.02, 2.40, 33.91 ppm; 3.48 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLU 48 - HG2 GLN 50 far 9 87 10 - 4.5-9.6 HB3 MET 1 - HG2 GLN 50 far 0 91 0 - 5.6-11.1 QE MET 74 - HG2 GLN 72 far 0 58 0 - 6.4-8.5 HB2 MET 74 - HG2 GLN 72 far 0 35 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 2300 from cnoeabs.peaks (2.17, 2.40, 33.91 ppm; 3.26 A): 2 out of 13 assignments used, quality = 1.00: * HB3 GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLN 72 + HG2 GLN 72 OK 68 68 100 100 2.4-3.0 3.0=100 HG2 MET 1 - HG2 GLN 50 far 0 87 0 - 5.8-12.2 HG3 GLU 75 - HG2 GLN 72 far 0 71 0 - 6.3-9.9 HG2 GLU 75 - HG2 GLN 72 far 0 71 0 - 7.1-9.2 HB2 GLU 75 - HG2 GLN 50 far 0 59 0 - 7.2-15.1 HB3 GLU 75 - HG2 GLN 50 far 0 96 0 - 7.4-14.8 HB3 GLU 75 - HG2 GLN 72 far 0 65 0 - 8.1-10.0 HB2 GLU 75 - HG2 GLN 72 far 0 35 0 - 8.4-10.3 HG3 GLU 35 - HG2 GLN 72 far 0 58 0 - 9.0-13.1 HG2 GLU 35 - HG2 GLN 72 far 0 58 0 - 9.4-14.2 HG2 GLU 75 - HG2 GLN 50 far 0 100 0 - 9.5-17.1 HG3 GLU 75 - HG2 GLN 50 far 0 100 0 - 9.8-17.5 Violated in 0 structures by 0.00 A. Peak 2301 from cnoeabs.peaks (2.40, 2.40, 33.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 50 + HG2 GLN 50 OK 100 100 - 100 HG2 GLN 72 + HG2 GLN 72 OK 55 55 - 100 Peak 2302 from cnoeabs.peaks (2.43, 2.40, 33.91 ppm; diagonal): 2 out of 2 assignments used, quality = 0.92: HG2 GLN 50 + HG2 GLN 50 OK 75 75 - 100 HG2 GLN 72 + HG2 GLN 72 OK 70 70 - 100 Reference assignment not found: HG3 GLN 50 - HG2 GLN 50 Peak 2304 from cnoeabs.peaks (8.53, 2.40, 33.91 ppm; 4.12 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 51 + HG2 GLN 50 OK 98 100 100 98 3.1-4.7 6830/2.9=61, 6828/3.7=59...(14) H GLN 50 + HG2 GLN 50 OK 95 97 100 98 2.2-4.5 6814/2.9=63, 5.1=53...(15) H LEU 2 - HG2 GLN 50 far 0 85 0 - 5.6-9.9 H ARG 79 - HG2 GLN 72 far 0 41 0 - 8.2-12.0 Violated in 0 structures by 0.00 A. Peak 2305 from cnoeabs.peaks (8.55, 2.43, 33.91 ppm; 4.17 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 50 + HG3 GLN 50 OK 99 100 100 99 2.1-4.9 6814/2.9=67, 5.1=55...(13) H ASN 51 + HG3 GLN 50 OK 95 97 100 98 2.4-5.3 6830/2.9=60, 6828/3.7=58...(14) H LEU 2 - HG3 GLN 50 far 0 59 0 - 6.9-11.1 Violated in 3 structures by 0.01 A. Peak 2306 from cnoeabs.peaks (4.40, 2.43, 33.91 ppm; 3.86 A): 1 out of 7 assignments used, quality = 1.00: * HA GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.4-3.9 3.7=100 HA GLU 48 - HG3 GLN 50 far 8 77 10 - 3.2-9.6 HA ILE 76 - HG3 GLN 50 far 0 77 0 - 6.8-12.7 HA MET 74 - HG2 GLN 72 far 0 97 0 - 7.2-9.2 HA ILE 76 - HG2 GLN 72 far 0 72 0 - 8.1-10.3 HA MET 74 - HG3 GLN 50 far 0 100 0 - 9.7-17.8 HA HIS 106 - HG2 GLN 72 far 0 96 0 - 9.8-22.4 Violated in 0 structures by 0.00 A. Peak 2307 from cnoeabs.peaks (2.02, 2.43, 33.91 ppm; 3.53 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 GLU 48 - HG3 GLN 50 far 0 87 0 - 5.1-10.5 QE MET 74 - HG2 GLN 72 far 0 85 0 - 6.4-8.5 HB3 MET 1 - HG3 GLN 50 far 0 91 0 - 6.6-11.3 HB2 MET 74 - HG2 GLN 72 far 0 55 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 2308 from cnoeabs.peaks (2.17, 2.43, 33.91 ppm; 3.01 A): 2 out of 13 assignments used, quality = 1.00: * HB3 GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLN 72 + HG2 GLN 72 OK 95 95 100 100 2.4-3.0 3.0=100 HB3 GLU 75 - HG3 GLN 50 far 0 96 0 - 6.2-15.1 HB2 GLU 75 - HG3 GLN 50 far 0 59 0 - 6.2-15.2 HG3 GLU 75 - HG2 GLN 72 far 0 98 0 - 6.3-9.9 HG2 GLU 75 - HG2 GLN 72 far 0 98 0 - 7.1-9.2 HG2 MET 1 - HG3 GLN 50 far 0 87 0 - 7.2-13.0 HB3 GLU 75 - HG2 GLN 72 far 0 92 0 - 8.1-10.0 HG2 GLU 75 - HG3 GLN 50 far 0 100 0 - 8.2-17.3 HB2 GLU 75 - HG2 GLN 72 far 0 55 0 - 8.4-10.3 HG3 GLU 75 - HG3 GLN 50 far 0 100 0 - 8.6-17.8 HG3 GLU 35 - HG2 GLN 72 far 0 85 0 - 9.0-13.1 HG2 GLU 35 - HG2 GLN 72 far 0 85 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 2309 from cnoeabs.peaks (2.40, 2.43, 33.91 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HG2 GLN 72 + HG2 GLN 72 OK 82 82 - 100 HG3 GLN 50 + HG3 GLN 50 OK 75 75 - 100 Reference assignment not found: HG2 GLN 50 - HG3 GLN 50 Peak 2310 from cnoeabs.peaks (2.43, 2.43, 33.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 50 + HG3 GLN 50 OK 100 100 - 100 HG2 GLN 72 + HG2 GLN 72 OK 97 97 - 100 Peak 2312 from cnoeabs.peaks (8.53, 2.43, 33.91 ppm; 4.17 A): 2 out of 4 assignments used, quality = 1.00: * H ASN 51 + HG3 GLN 50 OK 99 100 100 99 2.4-5.3 6830/2.9=62, 6828/3.7=60...(14) H GLN 50 + HG3 GLN 50 OK 95 97 100 98 2.1-4.9 6814/2.9=64, 5.1=55...(14) H LEU 2 - HG3 GLN 50 far 0 85 0 - 6.9-11.1 H ARG 79 - HG2 GLN 72 far 0 63 0 - 8.2-12.0 Violated in 3 structures by 0.01 A. Peak 2313 from cnoeabs.peaks (8.53, 4.98, 52.80 ppm; 3.83 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 51 + HA ASN 51 OK 100 100 100 100 2.3-2.9 3.0=100 H LEU 2 + HA ASN 51 OK 20 85 30 79 4.7-6.9 3.6/8003=38, 2320/3.0=22...(9) H GLN 50 - HA ASN 51 poor 17 97 25 70 4.5-5.9 ~6828=25, 6853/6854=22...(8) Violated in 0 structures by 0.00 A. Peak 2314 from cnoeabs.peaks (4.98, 4.98, 52.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HA ASN 51 OK 100 100 - 100 Peak 2315 from cnoeabs.peaks (2.95, 4.98, 52.80 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASN 51 + HA ASN 51 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 PHE 45 - HA ASN 51 far 0 63 0 - 9.1-11.1 HB3 PHE 45 - HA ASN 51 far 0 91 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2316 from cnoeabs.peaks (2.67, 4.98, 52.80 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + HA ASN 51 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2318 from cnoeabs.peaks (7.68, 4.98, 52.80 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HA ASN 51 OK 100 100 100 100 1.9-4.6 4.4=100 Violated in 0 structures by 0.00 A. Peak 2319 from cnoeabs.peaks (7.49, 4.98, 52.80 ppm; 3.23 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 52 + HA ASN 51 OK 100 100 100 100 2.8-3.3 6854=100, 6839/3.0=44...(8) HE ARG 46 - HA ASN 51 far 0 87 0 - 9.1-16.6 Violated in 1 structures by 0.00 A. Peak 2320 from cnoeabs.peaks (8.53, 2.95, 39.58 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 51 + HB2 ASN 51 OK 100 100 100 100 3.6-4.1 6835=100, 6836/1.8=86...(14) H LEU 2 + HB2 ASN 51 OK 66 85 90 86 3.3-5.9 3.6/9131=42, 3.0/9132=22...(13) H GLN 50 - HB2 ASN 51 far 0 97 0 - 5.6-7.0 Violated in 1 structures by 0.00 A. Peak 2321 from cnoeabs.peaks (4.98, 2.95, 39.58 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HB2 ASN 51 OK 100 100 100 100 2.3-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2322 from cnoeabs.peaks (2.95, 2.95, 39.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 51 + HB2 ASN 51 OK 100 100 - 100 Peak 2323 from cnoeabs.peaks (2.67, 2.95, 39.58 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + HB2 ASN 51 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2324 from cnoeabs.peaks (6.98, 2.95, 39.58 ppm; 4.58 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 51 + HB2 ASN 51 OK 100 100 100 100 3.4-4.0 3.5=100 QE PHE 96 - HB2 ASN 51 far 0 92 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 2325 from cnoeabs.peaks (7.68, 2.95, 39.58 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HB2 ASN 51 OK 100 100 100 100 2.1-3.3 3.5=100 Violated in 0 structures by 0.00 A. Peak 2326 from cnoeabs.peaks (7.49, 2.95, 39.58 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 52 + HB2 ASN 51 OK 100 100 100 100 4.1-4.6 6855=100, 6854/3.0=84...(13) Violated in 11 structures by 0.05 A. Peak 2327 from cnoeabs.peaks (8.53, 2.67, 39.58 ppm; 3.69 A): 2 out of 3 assignments used, quality = 1.00: * H ASN 51 + HB3 ASN 51 OK 100 100 100 100 2.8-3.8 6836=100, 6835/1.8=71...(13) H LEU 2 + HB3 ASN 51 OK 32 85 45 84 3.6-6.9 3.6/8006=35, 2320/1.8=27...(12) H GLN 50 - HB3 ASN 51 poor 19 97 20 - 5.0-6.9 Violated in 0 structures by 0.00 A. Peak 2328 from cnoeabs.peaks (4.98, 2.67, 39.58 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 51 + HB3 ASN 51 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2329 from cnoeabs.peaks (2.95, 2.67, 39.58 ppm; 2.57 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASN 51 + HB3 ASN 51 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PHE 45 - HB3 ASN 51 far 0 63 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 2330 from cnoeabs.peaks (2.67, 2.67, 39.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 51 + HB3 ASN 51 OK 100 100 - 100 Peak 2331 from cnoeabs.peaks (6.98, 2.67, 39.58 ppm; 4.74 A): 1 out of 2 assignments used, quality = 1.00: * HD21 ASN 51 + HB3 ASN 51 OK 100 100 100 100 3.4-4.1 3.5=100 QE PHE 96 - HB3 ASN 51 far 0 92 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 2332 from cnoeabs.peaks (7.68, 2.67, 39.58 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 51 + HB3 ASN 51 OK 100 100 100 100 2.1-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 2333 from cnoeabs.peaks (7.49, 2.67, 39.58 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 52 + HB3 ASN 51 OK 100 100 100 100 3.7-4.7 4.6=100 Violated in 0 structures by 0.00 A. Peak 2334 from cnoeabs.peaks (7.49, 5.34, 59.36 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 52 + HA ILE 52 OK 100 100 100 100 2.9-2.9 3.0=100 H LYS 47 - HA ILE 52 far 0 90 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 2335 from cnoeabs.peaks (5.34, 5.34, 59.36 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 52 + HA ILE 52 OK 100 100 - 100 HA THR 80 + HA THR 80 OK 69 69 - 100 Peak 2336 from cnoeabs.peaks (1.67, 5.34, 59.36 ppm; 3.41 A): 2 out of 13 assignments used, quality = 1.00: * HB ILE 52 + HA ILE 52 OK 100 100 100 100 2.2-2.7 3.0=100 HB2 LEU 2 + HA ILE 52 OK 66 75 90 98 1.8-4.9 1.8/8047=32, 4.0/8044=30...(33) HB3 ARG 79 - HA THR 80 far 6 62 10 - 4.8-6.0 HB3 LYS 53 - HA ILE 52 far 5 96 5 - 4.1-5.7 HG2 LYS 68 - HA THR 80 far 2 49 5 - 4.7-7.8 HD3 LYS 68 - HA THR 80 far 0 60 0 - 5.1-7.0 HB3 LEU 6 - HA THR 80 far 0 56 0 - 5.8-6.8 HD2 LYS 68 - HA THR 80 far 0 60 0 - 6.7-8.3 HB ILE 76 - HA ILE 52 far 0 84 0 - 8.6-10.0 HG LEU 70 - HA THR 80 far 0 49 0 - 9.0-10.5 HB3 LYS 53 - HA THR 80 far 0 63 0 - 9.4-12.3 HB ILE 76 - HA THR 80 far 0 52 0 - 9.8-10.8 HB3 ARG 79 - HA ILE 52 far 0 96 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 2337 from cnoeabs.peaks (0.78, 5.34, 59.36 ppm; 3.46 A): 3 out of 22 assignments used, quality = 1.00: * QG2 ILE 52 + HA ILE 52 OK 100 100 100 100 2.3-3.2 3.2=100 QD2 LEU 2 + HA ILE 52 OK 76 77 100 99 1.7-4.4 3.1/8046=36, 3.1/8047=30...(36) QD1 LEU 64 + HA THR 80 OK 34 37 100 91 3.5-4.1 10762/3.2=29...(18) QD2 LEU 57 - HA THR 80 poor 14 61 60 37 3.8-5.3 10213/9258=14...(7) HG3 ARG 81 - HA THR 80 far 0 34 0 - 5.6-6.2 QD1 LEU 6 - HA THR 80 far 0 68 0 - 5.7-8.2 QD2 LEU 42 - HA THR 80 far 0 65 0 - 5.9-7.2 QG1 VAL 54 - HA THR 80 far 0 61 0 - 6.0-7.2 QG1 VAL 78 - HA THR 80 far 0 42 0 - 6.4-6.9 QG1 VAL 78 - HA ILE 52 far 0 71 0 - 6.9-8.1 QG1 VAL 54 - HA ILE 52 far 0 95 0 - 7.0-7.8 QG2 ILE 8 - HA THR 80 far 0 68 0 - 7.8-8.7 QD1 ILE 76 - HA ILE 52 far 0 90 0 - 8.0-9.1 QD1 LEU 27 - HA ILE 52 far 0 99 0 - 8.0-9.6 QD2 LEU 42 - HA ILE 52 far 0 98 0 - 8.3-10.4 QD1 LEU 70 - HA THR 80 far 0 37 0 - 8.3-10.3 QD2 LEU 70 - HA THR 80 far 0 48 0 - 8.7-10.5 QD1 ILE 93 - HA THR 80 far 0 67 0 - 8.8-9.9 QG2 ILE 7 - HA THR 80 far 0 58 0 - 8.9-9.6 HG13 ILE 93 - HA THR 80 far 0 40 0 - 9.2-10.7 QD1 ILE 76 - HA THR 80 far 0 56 0 - 9.5-10.4 QG2 ILE 93 - HA THR 80 far 0 49 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 2338 from cnoeabs.peaks (1.04, 5.34, 59.36 ppm; 4.20 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 52 + HA ILE 52 OK 100 100 100 100 2.3-3.8 3.8=100 HB3 ARG 81 + HA THR 80 OK 61 62 100 98 4.0-4.4 7316/7311=66...(19) HB3 LEU 55 - HA THR 80 far 0 64 0 - 6.1-7.1 QG1 VAL 83 - HA THR 80 far 0 45 0 - 6.6-7.4 HG2 LYS 82 - HA THR 80 far 0 57 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 2339 from cnoeabs.peaks (1.46, 5.34, 59.36 ppm; 3.90 A): 4 out of 14 assignments used, quality = 1.00: * HG13 ILE 52 + HA ILE 52 OK 100 100 100 100 2.6-4.1 3.8=100 HG2 LYS 53 + HA ILE 52 OK 87 100 95 91 3.2-6.3 5.0/6868=39...(17) HG3 LYS 53 + HA ILE 52 OK 85 99 95 90 4.3-6.4 5.0/6868=39, ~10852=34...(17) HD2 LYS 53 + HA ILE 52 OK 26 100 30 86 4.8-6.5 12114/8033=30...(14) HB3 LEU 64 - HA THR 80 poor 15 42 35 - 4.8-6.3 HG LEU 64 - HA THR 80 far 3 55 5 - 5.3-6.5 HG LEU 38 - HA THR 80 far 0 69 0 - 7.6-10.8 HB2 LEU 38 - HA THR 80 far 0 69 0 - 8.1-11.1 HD2 LYS 82 - HA THR 80 far 0 69 0 - 8.1-10.5 HG12 ILE 7 - HA THR 80 far 0 42 0 - 8.3-10.9 HG13 ILE 76 - HA ILE 52 far 0 91 0 - 8.4-10.3 HB2 LEU 27 - HA ILE 52 far 0 100 0 - 9.8-12.2 HG2 LYS 66 - HA THR 80 far 0 41 0 - 9.9-11.7 HG3 LYS 53 - HA THR 80 far 0 66 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 2340 from cnoeabs.peaks (0.69, 5.34, 59.36 ppm; 3.87 A): 6 out of 18 assignments used, quality = 1.00: * QD1 ILE 52 + HA ILE 52 OK 100 100 100 100 3.7-4.2 4.1=84, 6864/3.0=50...(24) QD1 ILE 56 + HA THR 80 OK 64 65 100 99 1.9-4.7 3.2/9302=51, 3.0/9307=47...(29) HG13 ILE 56 + HA THR 80 OK 58 58 100 99 3.1-4.9 2.9/9302=54, 3.2/9307=45...(28) QG1 VAL 58 + HA THR 80 OK 35 52 100 67 4.1-5.0 10223/3.2=26...(11) QG2 VAL 78 + HA THR 80 OK 30 50 100 60 4.0-4.8 ~10288=23, 4.3/11126=13...(8) QG2 VAL 54 + HA ILE 52 OK 21 57 65 57 4.8-5.5 9240/3.8=20, 2348/3.0=17...(10) QG2 VAL 58 - HA THR 80 poor 17 60 40 73 4.7-6.1 10221/3.2=20, ~10223=18...(13) QD1 ILE 8 - HA THR 80 poor 13 63 20 - 5.0-6.4 QD2 LEU 27 - HA ILE 52 far 0 68 0 - 6.1-7.7 QG1 VAL 5 - HA THR 80 far 0 44 0 - 6.4-7.2 QD1 LEU 42 - HA THR 80 far 0 69 0 - 6.7-7.9 QD2 LEU 6 - HA THR 80 far 0 68 0 - 6.7-8.2 QG2 VAL 54 - HA THR 80 far 0 33 0 - 7.2-8.6 QG2 VAL 78 - HA ILE 52 far 0 82 0 - 9.2-10.1 QD1 LEU 14 - HA THR 80 far 0 61 0 - 9.5-10.2 QD2 LEU 6 - HA ILE 52 far 0 99 0 - 9.5-11.0 QD2 LEU 14 - HA THR 80 far 0 64 0 - 9.6-10.2 QD1 ILE 56 - HA ILE 52 far 0 98 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 2341 from cnoeabs.peaks (8.47, 5.34, 59.36 ppm; 3.15 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 53 + HA ILE 52 OK 100 100 100 100 2.1-2.5 6868=100, 2349/3.0=33...(26) H ARG 79 + HA THR 80 OK 32 44 100 73 4.3-4.6 7297/2.9=26...(12) H VAL 54 - HA ILE 52 far 0 88 0 - 6.1-6.6 H ALA 67 - HA THR 80 far 0 65 0 - 6.6-7.4 H VAL 54 - HA THR 80 far 0 55 0 - 7.6-9.1 H ILE 7 - HA THR 80 far 0 67 0 - 8.2-9.3 H ARG 79 - HA ILE 52 far 0 73 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2342 from cnoeabs.peaks (7.49, 1.67, 42.16 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 52 + HB ILE 52 OK 100 100 100 100 2.3-3.7 3.8=100 H LYS 47 - HB ILE 52 far 0 90 0 - 6.3-9.3 HE ARG 46 - HB ILE 52 far 0 87 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 2343 from cnoeabs.peaks (5.34, 1.67, 42.16 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 52 + HB ILE 52 OK 100 100 100 100 2.2-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2344 from cnoeabs.peaks (1.67, 1.67, 42.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 52 + HB ILE 52 OK 100 100 - 100 Peak 2345 from cnoeabs.peaks (0.78, 1.67, 42.16 ppm; 3.49 A): 2 out of 8 assignments used, quality = 1.00: * QG2 ILE 52 + HB ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 2 + HB ILE 52 OK 73 77 95 100 1.7-5.2 12040/3.0=29, ~12039=28...(49) QG1 VAL 54 - HB ILE 52 far 0 95 0 - 5.5-7.7 QG1 VAL 78 - HB ILE 52 far 0 71 0 - 6.4-7.9 QD1 ILE 76 - HB ILE 52 far 0 90 0 - 6.5-7.9 QD2 LEU 42 - HB ILE 52 far 0 98 0 - 6.7-9.9 QD1 LEU 27 - HB ILE 52 far 0 99 0 - 8.0-11.4 QD1 LEU 6 - HB ILE 52 far 0 99 0 - 8.4-12.5 Violated in 0 structures by 0.00 A. Peak 2346 from cnoeabs.peaks (1.04, 1.67, 42.16 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 52 + HB ILE 52 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 LEU 55 - HB ILE 52 far 0 97 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 2347 from cnoeabs.peaks (1.46, 1.67, 42.16 ppm; 4.04 A): 2 out of 8 assignments used, quality = 1.00: * HG13 ILE 52 + HB ILE 52 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 53 + HB ILE 52 OK 52 100 60 87 4.9-8.4 10852/2.1=42...(14) HG3 LYS 53 - HB ILE 52 far 0 99 0 - 5.8-8.1 HD2 LYS 53 - HB ILE 52 far 0 100 0 - 6.1-8.3 HG13 ILE 76 - HB ILE 52 far 0 91 0 - 6.9-8.9 HG2 LYS 47 - HB ILE 52 far 0 70 0 - 9.0-12.4 HB2 LEU 27 - HB ILE 52 far 0 100 0 - 9.7-13.1 QB ALA 22 - HB ILE 52 far 0 90 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 2348 from cnoeabs.peaks (0.69, 1.67, 42.16 ppm; 3.84 A): 2 out of 7 assignments used, quality = 1.00: * QD1 ILE 52 + HB ILE 52 OK 100 100 100 100 2.2-2.6 3.2=100 QG2 VAL 54 + HB ILE 52 OK 42 57 100 73 3.7-5.2 9240/3.0=24...(20) QD2 LEU 27 - HB ILE 52 far 0 68 0 - 6.7-9.6 QD2 LEU 6 - HB ILE 52 far 0 99 0 - 8.3-10.5 QG2 VAL 78 - HB ILE 52 far 0 82 0 - 8.9-10.3 QD1 LEU 42 - HB ILE 52 far 0 100 0 - 8.9-11.6 QD1 ILE 56 - HB ILE 52 far 0 98 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 2349 from cnoeabs.peaks (8.47, 1.67, 42.16 ppm; 4.24 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 53 + HB ILE 52 OK 100 100 100 100 2.1-4.3 4.5=81, 6868/3.0=81...(24) H VAL 54 - HB ILE 52 far 0 88 0 - 5.8-7.6 H ARG 79 - HB ILE 52 far 0 73 0 - 9.7-11.8 Violated in 2 structures by 0.01 A. Peak 2350 from cnoeabs.peaks (7.49, 0.78, 17.78 ppm; 3.88 A): 1 out of 4 assignments used, quality = 1.00: * H ILE 52 + QG2 ILE 52 OK 100 100 100 100 1.8-2.7 4.0=90, 6860/2.1=77...(23) H LYS 47 - QG2 ILE 52 far 4 90 5 - 4.4-6.7 H LEU 38 - QG2 ILE 8 far 0 34 0 - 5.8-6.9 HE ARG 46 - QG2 ILE 52 far 0 87 0 - 7.1-10.5 Violated in 0 structures by 0.00 A. Peak 2351 from cnoeabs.peaks (5.34, 0.78, 17.78 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HA ILE 52 + QG2 ILE 52 OK 100 100 100 100 2.3-3.2 3.2=100 HA THR 80 - QG2 ILE 8 far 0 67 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 2352 from cnoeabs.peaks (1.67, 0.78, 17.78 ppm; 3.04 A): 2 out of 18 assignments used, quality = 1.00: * HB ILE 52 + QG2 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 2 + QG2 ILE 52 OK 51 75 70 96 3.6-5.9 12274=23, 8051/3.2=18...(43) HB ILE 76 - QG2 ILE 52 far 4 84 5 - 4.2-8.2 HB3 LYS 53 - QG2 ILE 52 far 0 96 0 - 4.9-6.8 HG12 ILE 15 - QG2 ILE 8 far 0 54 0 - 6.4-7.0 HB3 LEU 6 - QG2 ILE 8 far 0 55 0 - 6.5-7.5 HD3 LYS 66 - QG2 ILE 8 far 0 44 0 - 6.9-8.4 HG LEU 70 - QG2 ILE 8 far 0 48 0 - 7.6-8.7 HD3 LYS 47 - QG2 ILE 52 far 0 99 0 - 7.7-10.1 HD2 LYS 47 - QG2 ILE 52 far 0 99 0 - 8.7-10.0 HB3 ARG 79 - QG2 ILE 52 far 0 96 0 - 8.8-11.1 HG2 LYS 68 - QG2 ILE 8 far 0 48 0 - 9.1-10.8 HD2 LYS 12 - QG2 ILE 8 far 0 46 0 - 9.4-11.4 HD2 LYS 39 - QG2 ILE 8 far 0 61 0 - 9.5-11.4 HB3 LEU 6 - QG2 ILE 52 far 0 90 0 - 9.6-12.8 HB3 LYS 40 - QG2 ILE 8 far 0 64 0 - 9.6-10.6 HD3 LYS 68 - QG2 ILE 8 far 0 59 0 - 9.7-11.8 HD3 LYS 12 - QG2 ILE 8 far 0 46 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 2353 from cnoeabs.peaks (0.78, 0.78, 17.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 52 + QG2 ILE 52 OK 100 100 - 100 QG2 ILE 8 + QG2 ILE 8 OK 67 67 - 100 Peak 2354 from cnoeabs.peaks (1.04, 0.78, 17.78 ppm; 3.43 A): 1 out of 5 assignments used, quality = 1.00: * HG12 ILE 52 + QG2 ILE 52 OK 100 100 100 100 2.4-3.2 3.2=100 HG2 LYS 82 - QG2 ILE 8 far 0 56 0 - 6.1-7.5 QG1 VAL 83 - QG2 ILE 8 far 0 44 0 - 7.2-8.5 HB3 LEU 55 - QG2 ILE 52 far 0 97 0 - 8.6-10.8 HB3 ARG 81 - QG2 ILE 8 far 0 61 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 2355 from cnoeabs.peaks (1.46, 0.78, 17.78 ppm; 3.68 A): 2 out of 19 assignments used, quality = 1.00: * HG13 ILE 52 + QG2 ILE 52 OK 100 100 100 100 1.9-3.2 3.2=100 HG2 LYS 53 + QG2 ILE 52 OK 43 100 50 87 4.6-6.3 10852=41, 3.9/10637=26...(18) HG13 ILE 76 - QG2 ILE 52 poor 18 91 30 68 4.6-8.0 2379/3.1=14...(16) HG LEU 38 - QG2 ILE 8 poor 17 68 25 - 4.7-6.6 HD2 LYS 53 - QG2 ILE 52 far 15 100 15 - 4.2-7.6 HG3 LYS 66 - QG2 ILE 8 far 4 38 10 - 4.6-6.9 HG2 LYS 66 - QG2 ILE 8 far 2 40 5 - 4.9-7.2 HG3 LYS 53 - QG2 ILE 52 far 0 99 0 - 5.6-6.8 HB2 LEU 38 - QG2 ILE 8 far 0 68 0 - 5.6-6.6 HG12 ILE 7 - QG2 ILE 8 far 0 42 0 - 6.0-6.7 HB3 LEU 64 - QG2 ILE 8 far 0 42 0 - 6.0-7.1 HG2 LYS 47 - QG2 ILE 52 far 0 70 0 - 7.0-9.1 HD2 LYS 82 - QG2 ILE 8 far 0 68 0 - 7.5-9.8 HG LEU 64 - QG2 ILE 8 far 0 54 0 - 7.7-8.6 HG3 LYS 39 - QG2 ILE 8 far 0 61 0 - 8.9-11.7 HG LEU 29 - QG2 ILE 8 far 0 55 0 - 9.0-10.7 QB ALA 22 - QG2 ILE 52 far 0 90 0 - 9.2-11.0 HG2 LYS 12 - QG2 ILE 8 far 0 64 0 - 9.2-12.2 HB2 LEU 27 - QG2 ILE 52 far 0 100 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 2356 from cnoeabs.peaks (0.69, 0.78, 17.78 ppm; 2.75 A): 3 out of 20 assignments used, quality = 0.99: * QD1 ILE 52 + QG2 ILE 52 OK 96 100 100 96 1.8-2.9 3.1=72, 6864/2350=19...(30) QD1 ILE 8 + QG2 ILE 8 OK 56 62 100 91 1.9-3.1 3.0=81, 12200/12205=11...(16) QG1 VAL 58 + QG2 ILE 8 OK 48 51 100 94 2.7-3.3 10224/2.1=24, 311/3.1=16...(35) QG2 VAL 54 - QG2 ILE 52 poor 12 57 45 48 2.6-4.9 9240/3.2=11, 2348/2.1=10...(16) QG2 VAL 58 - QG2 ILE 8 poor 12 59 20 - 3.7-4.9 QD1 ILE 56 - QG2 ILE 8 far 0 64 0 - 4.8-7.4 QD2 LEU 14 - QG2 ILE 8 far 0 63 0 - 5.7-6.2 QD2 LEU 6 - QG2 ILE 8 far 0 67 0 - 5.8-7.6 QG2 VAL 78 - QG2 ILE 52 far 0 82 0 - 5.8-9.1 HG13 ILE 56 - QG2 ILE 8 far 0 58 0 - 6.1-8.3 QD2 LEU 27 - QG2 ILE 52 far 0 68 0 - 6.1-8.2 QD1 ILE 56 - QG2 ILE 52 far 0 98 0 - 6.7-10.5 QD1 LEU 14 - QG2 ILE 8 far 0 60 0 - 6.8-7.4 QD1 LEU 42 - QG2 ILE 52 far 0 100 0 - 7.0-9.5 QD1 LEU 42 - QG2 ILE 8 far 0 67 0 - 7.0-8.4 QD2 LEU 6 - QG2 ILE 52 far 0 99 0 - 7.2-9.2 QG1 VAL 5 - QG2 ILE 8 far 0 43 0 - 7.9-8.6 QG2 VAL 78 - QG2 ILE 8 far 0 49 0 - 8.3-9.3 HG13 ILE 56 - QG2 ILE 52 far 0 92 0 - 9.2-12.5 QG1 VAL 5 - QG2 ILE 52 far 0 73 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 2357 from cnoeabs.peaks (8.47, 0.78, 17.78 ppm; 3.78 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 53 + QG2 ILE 52 OK 100 100 100 100 3.3-4.1 4.3=67, 6868/3.2=66...(25) H VAL 32 + QG2 ILE 8 OK 59 64 100 93 3.6-4.4 10147/3.2=44...(15) H ALA 67 - QG2 ILE 8 poor 17 64 35 76 4.9-5.9 9520/3.0=18...(19) H VAL 54 - QG2 ILE 52 far 9 88 10 - 4.0-7.0 H ILE 7 - QG2 ILE 8 far 0 66 0 - 5.4-6.5 H ARG 79 - QG2 ILE 52 far 0 73 0 - 6.9-10.3 H THR 31 - QG2 ILE 8 far 0 47 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 2358 from cnoeabs.peaks (7.49, 1.04, 27.19 ppm; 4.25 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 52 + HG12 ILE 52 OK 100 100 100 100 2.3-4.4 6862=100, 6860/3.0=74...(12) H LYS 47 - HG12 ILE 52 far 0 90 0 - 6.7-8.9 HE ARG 46 - HG12 ILE 52 far 0 87 0 - 7.3-13.0 Violated in 7 structures by 0.02 A. Peak 2359 from cnoeabs.peaks (5.34, 1.04, 27.19 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 52 + HG12 ILE 52 OK 100 100 100 100 2.3-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 2360 from cnoeabs.peaks (1.67, 1.04, 27.19 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 52 + HG12 ILE 52 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LEU 2 + HG12 ILE 52 OK 22 75 30 99 1.8-8.1 1.8/8052=42, 8051=41...(37) HB3 LYS 53 - HG12 ILE 52 far 5 96 5 - 5.2-6.5 HB ILE 76 - HG12 ILE 52 far 0 84 0 - 5.6-8.9 HB3 ARG 79 - HG12 ILE 52 far 0 96 0 - 8.8-13.8 HD3 LYS 47 - HG12 ILE 52 far 0 99 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2361 from cnoeabs.peaks (0.78, 1.04, 27.19 ppm; 3.56 A): 2 out of 9 assignments used, quality = 1.00: * QG2 ILE 52 + HG12 ILE 52 OK 100 100 100 100 2.4-3.2 3.2=100 QD2 LEU 2 + HG12 ILE 52 OK 77 77 100 99 2.2-4.7 ~12039=44, 3.1/8051=39...(34) QG1 VAL 54 - HG12 ILE 52 poor 20 95 25 84 5.0-7.0 2.1/9240=51, 4.0/2365=12...(19) QG1 VAL 78 - HG12 ILE 52 far 11 71 15 - 4.6-7.2 QD1 ILE 76 - HG12 ILE 52 far 4 90 5 - 5.0-7.6 QD2 LEU 42 - HG12 ILE 52 far 0 98 0 - 5.8-9.1 QD1 LEU 6 - HG12 ILE 52 far 0 99 0 - 8.2-10.9 QD1 LEU 27 - HG12 ILE 52 far 0 99 0 - 8.3-11.3 QG2 ILE 93 - HG12 ILE 52 far 0 81 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 2362 from cnoeabs.peaks (1.04, 1.04, 27.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 52 + HG12 ILE 52 OK 100 100 - 100 Peak 2363 from cnoeabs.peaks (1.46, 1.04, 27.19 ppm; 2.77 A): 1 out of 8 assignments used, quality = 1.00: * HG13 ILE 52 + HG12 ILE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 53 - HG12 ILE 52 far 0 100 0 - 4.5-7.4 HG2 LYS 53 - HG12 ILE 52 far 0 100 0 - 4.7-8.2 HG13 ILE 76 - HG12 ILE 52 far 0 91 0 - 4.7-8.9 HG3 LYS 53 - HG12 ILE 52 far 0 99 0 - 5.7-8.0 HG2 LYS 47 - HG12 ILE 52 far 0 70 0 - 9.2-12.1 HB2 LEU 27 - HG12 ILE 52 far 0 100 0 - 9.6-14.2 QB ALA 22 - HG12 ILE 52 far 0 90 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 2364 from cnoeabs.peaks (0.69, 1.04, 27.19 ppm; 3.42 A): 2 out of 8 assignments used, quality = 1.00: * QD1 ILE 52 + HG12 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 54 + HG12 ILE 52 OK 40 57 100 70 2.6-4.5 9240=24, 2348/3.0=14...(15) QD2 LEU 27 - HG12 ILE 52 far 0 68 0 - 6.3-9.6 QG2 VAL 78 - HG12 ILE 52 far 0 82 0 - 7.1-9.5 QD1 ILE 56 - HG12 ILE 52 far 0 98 0 - 7.3-11.3 QD2 LEU 6 - HG12 ILE 52 far 0 99 0 - 7.4-10.1 QD1 LEU 42 - HG12 ILE 52 far 0 100 0 - 7.7-10.6 QG1 VAL 5 - HG12 ILE 52 far 0 73 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 2365 from cnoeabs.peaks (8.47, 1.04, 27.19 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 53 + HG12 ILE 52 OK 100 100 100 100 2.4-4.0 6871=100, 6868/3.8=83...(19) H VAL 54 + HG12 ILE 52 OK 77 88 95 91 4.6-6.9 4.0/9240=64, 4.7/6871=53...(7) H ARG 79 - HG12 ILE 52 far 0 73 0 - 7.8-10.8 Violated in 0 structures by 0.00 A. Peak 2366 from cnoeabs.peaks (7.49, 1.46, 27.19 ppm; 3.87 A): 3 out of 7 assignments used, quality = 1.00: * H ILE 52 + HG13 ILE 52 OK 100 100 100 100 1.8-4.6 6862/1.8=76, 6860/3.0=64...(15) H LEU 38 + HG LEU 38 OK 48 50 100 96 1.8-4.6 5.3=39, 2.9/1619=34...(26) H ARG 91 + HG3 ARG 91 OK 43 44 100 99 2.1-2.6 4.8=54, 7444/1.8=50...(20) H LYS 47 - HG13 ILE 52 far 4 90 5 - 5.3-9.1 HE ARG 46 - HG13 ILE 52 far 0 87 0 - 6.5-13.3 HZ2 TRP 92 - HG3 ARG 91 far 0 57 0 - 7.9-9.0 H ARG 91 - HG LEU 29 far 0 52 0 - 9.0-12.4 Violated in 0 structures by 0.00 A. Peak 2367 from cnoeabs.peaks (5.34, 1.46, 27.19 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 52 + HG13 ILE 52 OK 100 100 100 100 2.6-4.1 3.8=100 HA THR 80 - HG LEU 64 poor 13 64 20 - 5.3-6.5 HA THR 80 - HG LEU 38 far 0 92 0 - 7.6-10.8 Violated in 0 structures by 0.00 A. Peak 2368 from cnoeabs.peaks (1.67, 1.46, 27.19 ppm; 3.06 A): 5 out of 42 assignments used, quality = 1.00: * HB ILE 52 + HG13 ILE 52 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 91 + HG3 ARG 91 OK 53 53 100 100 2.4-3.0 2.8=100 HD3 LYS 68 + HG LEU 64 OK 33 56 75 79 3.0-5.5 10264/2.1=24, ~12320=16...(20) HG LEU 70 + HG LEU 38 OK 27 70 70 56 3.6-6.5 12070/2.1=14, 10959=10...(21) HB2 LEU 2 + HG13 ILE 52 OK 21 75 30 94 2.0-7.9 3.1/12039=40...(28) HD3 LYS 90 - HG3 ARG 91 poor 20 42 85 55 2.1-4.9 4039/1.8=17...(12) HG2 LYS 68 - HG LEU 64 poor 14 46 30 - 2.7-5.9 HD2 LYS 68 - HG LEU 64 far 0 56 0 - 4.7-6.5 HB3 LEU 6 - HG LEU 38 far 0 78 0 - 4.8-8.6 HB3 LYS 53 - HG13 ILE 52 far 0 96 0 - 5.1-7.8 HB3 LEU 6 - HG LEU 29 far 0 54 0 - 5.4-8.2 HD3 LYS 39 - HG LEU 38 far 0 68 0 - 5.6-9.1 HD2 LYS 39 - HG LEU 38 far 0 85 0 - 5.6-8.4 HD3 LYS 66 - HG LEU 38 far 0 64 0 - 5.7-9.9 HB ILE 76 - HG13 ILE 52 far 0 84 0 - 5.7-9.9 HB3 LYS 40 - HG LEU 38 far 0 88 0 - 6.3-8.9 HB2 LYS 40 - HG LEU 38 far 0 76 0 - 6.4-9.2 HG12 ILE 15 - HG LEU 29 far 0 53 0 - 6.4-8.1 HD2 LYS 20 - HG LEU 29 far 0 66 0 - 7.2-11.2 HD3 LYS 66 - HG LEU 64 far 0 42 0 - 7.2-9.2 HG2 PRO 86 - HG3 ARG 91 far 0 46 0 - 7.6-8.1 HG2 LYS 68 - HG LEU 38 far 0 70 0 - 7.7-11.7 HG3 LYS 20 - HG LEU 29 far 0 67 0 - 7.7-10.1 HD3 LYS 20 - HG LEU 29 far 0 67 0 - 7.8-11.5 HB ILE 76 - HG LEU 38 far 0 73 0 - 8.4-11.2 HG LEU 70 - HG LEU 64 far 0 46 0 - 8.5-9.9 HG3 LYS 20 - HG3 ARG 91 far 0 57 0 - 8.6-13.3 HB3 ARG 79 - HG13 ILE 52 far 0 96 0 - 8.7-12.6 HD2 LYS 20 - HG3 ARG 91 far 0 56 0 - 8.7-12.8 HD2 LYS 68 - HG LEU 38 far 0 83 0 - 8.9-13.1 HD2 LYS 73 - HG LEU 38 far 0 92 0 - 8.9-11.3 HB3 ARG 79 - HG LEU 64 far 0 58 0 - 9.1-11.4 HD3 LYS 90 - HG LEU 29 far 0 50 0 - 9.1-12.9 HD3 LYS 73 - HG LEU 38 far 0 92 0 - 9.1-12.5 HD3 LYS 68 - HG LEU 38 far 0 82 0 - 9.3-12.2 HD3 LYS 47 - HG13 ILE 52 far 0 99 0 - 9.3-13.4 HD2 LYS 13 - HG3 ARG 91 far 0 37 0 - 9.5-14.4 HD3 LYS 13 - HG3 ARG 91 far 0 35 0 - 9.6-14.4 HB3 LEU 6 - HG LEU 64 far 0 52 0 - 9.7-11.8 HD2 LYS 12 - HG LEU 29 far 0 45 0 - 9.7-12.4 HD3 LYS 20 - HG3 ARG 91 far 0 57 0 - 9.8-13.5 HB3 LEU 6 - HG13 ILE 52 far 0 90 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 2369 from cnoeabs.peaks (0.78, 1.46, 27.19 ppm; 3.12 A): 6 out of 48 assignments used, quality = 1.00: * QG2 ILE 52 + HG13 ILE 52 OK 98 100 100 98 1.9-3.2 3.2=92, 2356/2.1=33...(24) QD2 LEU 2 + HG13 ILE 52 OK 75 77 100 98 2.3-4.5 2.1/12039=54, 12040=39...(29) QD1 LEU 64 + HG LEU 64 OK 34 34 100 100 2.1-2.1 2.1=100 QD1 LEU 70 + HG LEU 38 OK 28 54 95 54 2.0-5.1 2.1/10959=11, ~12070=10...(23) QD2 LEU 42 + HG LEU 38 OK 25 89 35 82 3.9-6.6 12083/3.0=18, 12083=17...(20) QG2 ILE 7 + HG LEU 29 OK 23 57 50 81 4.0-5.3 10501/2.1=25, 255/2.1=15...(20) QG2 ILE 15 - HG LEU 29 poor 20 43 45 - 4.0-5.7 QD1 ILE 93 - HG LEU 29 poor 19 65 50 59 2.5-5.5 10327=19, 10501/2.1=14...(17) HG13 ILE 93 - HG LEU 29 far 6 38 15 - 4.2-8.5 QG1 VAL 54 - HG13 ILE 52 far 5 95 5 - 4.5-8.0 QD1 LEU 6 - HG LEU 38 far 5 91 5 - 2.5-6.9 QD2 LEU 70 - HG LEU 38 far 3 68 5 - 3.2-6.8 QG2 ILE 93 - HG LEU 29 far 2 47 5 - 4.6-7.3 QG1 VAL 78 - HG13 ILE 52 far 0 71 0 - 4.7-8.4 QG2 ILE 8 - HG LEU 38 far 0 91 0 - 4.7-6.6 QD2 LEU 57 - HG LEU 29 far 0 59 0 - 4.8-7.2 QD1 LEU 6 - HG LEU 29 far 0 66 0 - 5.1-8.0 QD1 ILE 76 - HG13 ILE 52 far 0 90 0 - 5.2-8.2 QG1 VAL 54 - HG LEU 38 far 0 84 0 - 5.7-8.8 QG1 VAL 78 - HG LEU 38 far 0 61 0 - 5.8-8.7 QD2 LEU 42 - HG13 ILE 52 far 0 98 0 - 5.9-9.2 QD1 LEU 27 - HG LEU 29 far 0 65 0 - 5.9-7.5 QG1 VAL 54 - HG LEU 29 far 0 59 0 - 6.0-8.6 QD1 ILE 93 - HG3 ARG 91 far 0 55 0 - 6.2-6.7 HG13 ILE 15 - HG LEU 29 far 0 52 0 - 6.2-7.9 QD1 ILE 76 - HG LEU 38 far 0 78 0 - 6.7-8.8 QD1 ILE 15 - HG LEU 29 far 0 58 0 - 7.1-8.5 QG2 ILE 7 - HG LEU 38 far 0 81 0 - 7.1-10.0 QD1 LEU 64 - HG LEU 38 far 0 54 0 - 7.2-10.6 QG2 ILE 93 - HG3 ARG 91 far 0 39 0 - 7.4-8.1 HG13 ILE 93 - HG3 ARG 91 far 0 32 0 - 7.7-9.5 QG2 ILE 8 - HG LEU 64 far 0 63 0 - 7.7-8.6 QD2 LEU 57 - HG LEU 64 far 0 57 0 - 7.7-9.7 QD1 LEU 27 - HG13 ILE 52 far 0 99 0 - 7.9-11.9 QD1 LEU 6 - HG13 ILE 52 far 0 99 0 - 8.1-10.9 QD2 LEU 42 - HG LEU 29 far 0 63 0 - 8.2-10.8 HG3 ARG 81 - HG LEU 64 far 0 32 0 - 8.3-9.7 QD2 LEU 57 - HG LEU 38 far 0 84 0 - 8.4-11.3 QD1 LEU 70 - HG LEU 64 far 0 34 0 - 8.5-10.1 QD2 LEU 57 - HG3 ARG 91 far 0 50 0 - 8.5-9.0 QD2 LEU 70 - HG LEU 64 far 0 44 0 - 8.5-9.9 QD1 LEU 6 - HG LEU 64 far 0 63 0 - 8.9-11.7 QG2 ILE 8 - HG LEU 29 far 0 66 0 - 9.0-10.7 QD2 LEU 42 - HG LEU 64 far 0 61 0 - 9.0-10.6 QG1 VAL 78 - HG LEU 64 far 0 39 0 - 9.5-10.6 QG2 ILE 93 - HG13 ILE 52 far 0 81 0 - 9.8-14.1 QD1 LEU 27 - HG3 ARG 91 far 0 55 0 - 9.9-11.1 QG2 ILE 15 - HG LEU 38 far 0 64 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 2370 from cnoeabs.peaks (1.04, 1.46, 27.19 ppm; 2.61 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 52 + HG13 ILE 52 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 91 + HG3 ARG 91 OK 30 30 100 100 1.8-1.8 1.8=100 HG2 LYS 82 - HG LEU 64 far 0 54 0 - 4.8-6.4 QG1 VAL 83 - HG3 ARG 91 far 0 36 0 - 6.5-6.9 HB3 LEU 55 - HG LEU 29 far 0 62 0 - 7.0-10.8 HB3 ARG 81 - HG LEU 64 far 0 58 0 - 7.5-8.5 QG1 VAL 83 - HG LEU 64 far 0 42 0 - 8.1-8.9 QG1 VAL 83 - HG LEU 29 far 0 43 0 - 8.9-10.4 HB3 LEU 55 - HG13 ILE 52 far 0 97 0 - 8.9-12.7 Violated in 0 structures by 0.00 A. Peak 2371 from cnoeabs.peaks (1.46, 1.46, 27.19 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG13 ILE 52 + HG13 ILE 52 OK 100 100 - 100 HG LEU 38 + HG LEU 38 OK 93 93 - 100 HG3 ARG 91 + HG3 ARG 91 OK 56 56 - 100 HG LEU 29 + HG LEU 29 OK 54 54 - 100 HG LEU 64 + HG LEU 64 OK 51 51 - 100 Peak 2372 from cnoeabs.peaks (0.69, 1.46, 27.19 ppm; 2.97 A): 6 out of 39 assignments used, quality = 1.00: * QD1 ILE 52 + HG13 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 58 + HG LEU 64 OK 51 56 100 92 4.1-4.3 10219/3.0=27...(22) QD1 LEU 42 + HG LEU 38 OK 44 92 60 81 2.4-5.0 12082=16, 2.1/12083=13...(25) QD1 ILE 8 + HG LEU 38 OK 40 86 65 71 2.9-5.1 12201=19, 12201/3.0=13...(17) QG1 VAL 5 + HG LEU 29 OK 36 42 100 85 2.6-4.3 ~10500=21, 10192=18...(19) QG2 VAL 54 + HG13 ILE 52 OK 21 57 75 49 2.6-5.6 9240/1.8=16, 2348/3.0=10...(16) QD2 LEU 6 - HG LEU 29 far 10 66 15 - 3.6-7.8 QD1 ILE 56 - HG LEU 38 far 9 88 10 - 3.9-7.8 QD2 LEU 6 - HG LEU 38 far 5 91 5 - 4.3-8.2 HG13 ILE 56 - HG LEU 38 far 4 81 5 - 3.9-8.8 QG1 VAL 58 - HG LEU 38 far 4 73 5 - 4.4-7.4 QG1 VAL 58 - HG LEU 64 far 2 48 5 - 4.4-5.0 QG2 VAL 78 - HG LEU 38 far 0 71 0 - 5.4-8.5 QD1 ILE 56 - HG LEU 29 far 0 63 0 - 5.7-10.4 QD2 LEU 14 - HG LEU 29 far 0 62 0 - 6.1-7.3 QD1 ILE 8 - HG LEU 64 far 0 59 0 - 6.2-7.2 QD1 ILE 56 - HG LEU 64 far 0 61 0 - 6.2-9.2 QD2 LEU 27 - HG13 ILE 52 far 0 68 0 - 6.4-10.2 QD1 LEU 14 - HG3 ARG 91 far 0 50 0 - 6.6-7.1 QG2 VAL 58 - HG LEU 38 far 0 82 0 - 6.6-9.6 HG13 ILE 56 - HG LEU 64 far 0 55 0 - 7.0-9.7 QG2 VAL 78 - HG13 ILE 52 far 0 82 0 - 7.1-10.8 QG2 VAL 78 - HG LEU 64 far 0 47 0 - 7.1-8.1 QD1 LEU 14 - HG LEU 29 far 0 59 0 - 7.3-8.7 QD2 LEU 6 - HG13 ILE 52 far 0 99 0 - 7.4-10.6 HG13 ILE 56 - HG LEU 29 far 0 57 0 - 7.4-11.8 QD1 ILE 56 - HG13 ILE 52 far 0 98 0 - 7.4-12.5 QG2 VAL 54 - HG LEU 38 far 0 48 0 - 7.7-10.6 QD1 LEU 42 - HG13 ILE 52 far 0 100 0 - 8.0-11.1 QD1 ILE 8 - HG LEU 29 far 0 61 0 - 8.1-10.3 QD2 LEU 27 - HG LEU 29 far 0 38 0 - 8.2-9.4 QG2 VAL 54 - HG LEU 29 far 0 32 0 - 8.2-10.7 QG1 VAL 5 - HG LEU 38 far 0 63 0 - 8.4-11.7 QG1 VAL 58 - HG LEU 29 far 0 50 0 - 8.5-10.3 QD2 LEU 14 - HG3 ARG 91 far 0 52 0 - 8.6-9.4 QD1 LEU 42 - HG LEU 64 far 0 64 0 - 8.8-10.2 QG1 VAL 5 - HG3 ARG 91 far 0 35 0 - 9.0-9.7 QG1 VAL 5 - HG13 ILE 52 far 0 73 0 - 9.1-12.6 QD2 LEU 6 - HG LEU 64 far 0 63 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 2373 from cnoeabs.peaks (8.47, 1.46, 27.19 ppm; 4.31 A): 7 out of 14 assignments used, quality = 1.00: * H LYS 53 + HG13 ILE 52 OK 100 100 100 100 2.3-4.9 6871/1.8=71, 6868/3.8=70...(21) H ALA 67 + HG LEU 38 OK 62 88 85 83 2.8-6.9 9519/2.1=15, ~9526=14...(24) H LEU 29 + HG LEU 29 OK 60 60 100 100 4.2-4.8 6468/3.0=68, 5.0=63...(17) H ILE 7 + HG LEU 29 OK 38 65 65 90 4.1-6.6 8238/6479=37...(12) H ALA 67 + HG LEU 64 OK 32 61 60 89 5.2-6.2 7081/4.3=43...(15) H VAL 54 + HG13 ILE 52 OK 29 88 45 74 4.6-7.8 2365/1.8=27, 2381/2.1=23...(15) H THR 31 + HG LEU 29 OK 20 46 55 79 5.0-7.3 12050/2.1=40...(8) H ILE 7 - HG LEU 38 far 5 90 5 - 5.6-9.5 H VAL 32 - HG LEU 38 far 0 88 0 - 6.0-8.2 H VAL 32 - HG LEU 29 far 0 63 0 - 6.8-9.0 H THR 31 - HG LEU 38 far 0 68 0 - 7.5-10.9 H ARG 79 - HG13 ILE 52 far 0 73 0 - 7.6-12.0 H ARG 79 - HG LEU 38 far 0 63 0 - 8.3-12.0 H ARG 79 - HG LEU 64 far 0 41 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 2374 from cnoeabs.peaks (7.49, 0.69, 14.38 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 52 + QD1 ILE 52 OK 100 100 100 100 3.5-4.5 6864=100, 6862/2.1=91...(17) H LYS 47 + QD1 ILE 52 OK 89 90 100 99 4.1-5.6 3.6/9512=67...(13) HE ARG 46 - QD1 ILE 52 far 9 87 10 - 5.2-9.1 Violated in 0 structures by 0.00 A. Peak 2375 from cnoeabs.peaks (5.34, 0.69, 14.38 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 52 + QD1 ILE 52 OK 100 100 100 100 3.7-4.2 4.1=100 Violated in 0 structures by 0.00 A. Peak 2376 from cnoeabs.peaks (1.67, 0.69, 14.38 ppm; 3.52 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 52 + QD1 ILE 52 OK 100 100 100 100 2.2-2.6 3.2=100 HB2 LEU 2 + QD1 ILE 52 OK 22 75 30 99 3.1-6.8 12275=32, 8051/2.1=31...(38) HB ILE 76 - QD1 ILE 52 poor 20 84 30 78 4.3-7.1 2.1/10640=28...(16) HB3 LYS 53 - QD1 ILE 52 far 5 96 5 - 4.9-6.9 HD3 LYS 47 - QD1 ILE 52 far 0 99 0 - 6.3-9.2 HD2 LYS 47 - QD1 ILE 52 far 0 99 0 - 7.3-9.1 HB3 ARG 79 - QD1 ILE 52 far 0 96 0 - 8.1-11.5 HB3 LEU 6 - QD1 ILE 52 far 0 90 0 - 8.4-10.8 Violated in 0 structures by 0.00 A. Peak 2377 from cnoeabs.peaks (0.78, 0.69, 14.38 ppm; 3.04 A): 4 out of 12 assignments used, quality = 1.00: * QG2 ILE 52 + QD1 ILE 52 OK 100 100 100 100 1.8-2.9 3.1=97, 2350/6864=24...(31) QD2 LEU 2 + QD1 ILE 52 OK 67 77 90 96 1.9-4.6 ~12039=28, 12040/2.1=27...(36) QD1 ILE 76 + QD1 ILE 52 OK 50 90 70 80 3.3-5.5 9639/9512=22...(22) QG1 VAL 54 + QD1 ILE 52 OK 34 95 50 73 4.2-5.4 ~9240=23, 9244/9170=8...(27) QG1 VAL 78 - QD1 ILE 52 poor 6 71 35 23 4.0-6.0 10906/10877=6...(9) QD2 LEU 42 - QD1 ILE 52 far 0 98 0 - 4.8-6.4 QD1 LEU 6 - QD1 ILE 52 far 0 99 0 - 6.6-8.3 QD1 LEU 27 - QD1 ILE 52 far 0 99 0 - 7.3-9.7 QG2 ILE 93 - QD1 ILE 52 far 0 81 0 - 9.2-11.6 QD2 LEU 57 - QD1 ILE 52 far 0 95 0 - 9.4-11.1 QD2 LEU 70 - QD1 ILE 52 far 0 79 0 - 9.6-12.1 QD1 LEU 70 - QD1 ILE 52 far 0 63 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 2378 from cnoeabs.peaks (1.04, 0.69, 14.38 ppm; 3.38 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 52 + QD1 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 55 - QD1 ILE 52 far 0 97 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 2379 from cnoeabs.peaks (1.46, 0.69, 14.38 ppm; 3.28 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 52 + QD1 ILE 52 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 76 + QD1 ILE 52 OK 29 91 50 64 3.7-6.6 3.2/10640=19...(15) HG2 LYS 53 - QD1 ILE 52 far 5 100 5 - 4.7-8.0 HD2 LYS 53 - QD1 ILE 52 far 0 100 0 - 5.6-7.7 HG3 LYS 53 - QD1 ILE 52 far 0 99 0 - 5.8-7.5 HG2 LYS 47 - QD1 ILE 52 far 0 70 0 - 5.9-8.5 QB ALA 22 - QD1 ILE 52 far 0 90 0 - 8.4-10.6 HB2 LEU 27 - QD1 ILE 52 far 0 100 0 - 8.4-11.6 HD3 LYS 40 - QD1 ILE 52 far 0 99 0 - 9.6-13.2 HB2 LEU 38 - QD1 ILE 52 far 0 100 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2380 from cnoeabs.peaks (0.69, 0.69, 14.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 52 + QD1 ILE 52 OK 100 100 - 100 Peak 2381 from cnoeabs.peaks (8.47, 0.69, 14.38 ppm; 4.93 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 53 + QD1 ILE 52 OK 100 100 100 100 2.7-4.3 6871/2.1=83, 6868/4.1=79...(24) H VAL 54 + QD1 ILE 52 OK 63 88 100 72 4.2-6.2 2365/2.1=33, 4.7/6873=29...(12) H ARG 79 - QD1 ILE 52 far 0 73 0 - 7.2-9.2 H LEU 29 - QD1 ILE 52 far 0 96 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 2383 from cnoeabs.peaks (5.04, 5.04, 55.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HA LYS 53 OK 100 100 - 100 Peak 2384 from cnoeabs.peaks (1.84, 5.04, 55.43 ppm; 3.52 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.9-3.0 3.0=100 HG2 ARG 46 - HA LYS 53 far 0 96 0 - 7.7-12.6 HB2 LEU 42 - HA LYS 53 far 0 70 0 - 9.3-11.5 HB VAL 5 - HA LYS 53 far 0 92 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 2385 from cnoeabs.peaks (1.69, 5.04, 55.43 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 53 + HA LYS 53 OK 100 100 100 100 2.4-2.8 3.0=100 HB ILE 52 + HA LYS 53 OK 52 96 55 98 4.2-5.8 2349/3.0=54...(23) HB2 LEU 2 - HA LYS 53 far 5 96 5 - 5.4-8.8 HB3 ARG 79 - HA LYS 53 far 0 75 0 - 5.6-8.4 HB3 LEU 6 - HA LYS 53 far 0 63 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 2386 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.40 A): 4 out of 7 assignments used, quality = 1.00: * HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.4-3.6 3.9=67, 3.0/2389=36...(55) HG3 LYS 53 + HA LYS 53 OK 99 100 100 99 2.5-3.9 3.9=67, 3.0/2389=36...(50) HD2 LYS 53 + HA LYS 53 OK 99 100 100 99 1.9-3.6 1.8/2389=43, 2440/3.0=38...(56) HG13 ILE 52 + HA LYS 53 OK 65 100 75 87 3.2-6.3 ~6871=24, 3.2/10637=20...(21) HG13 ILE 76 - HA LYS 53 far 0 82 0 - 7.2-9.2 QB ALA 22 - HA LYS 53 far 0 81 0 - 9.8-10.9 HB2 LEU 27 - HA LYS 53 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2387 from cnoeabs.peaks (1.47, 5.04, 55.43 ppm; 3.40 A): 4 out of 7 assignments used, quality = 1.00: * HG3 LYS 53 + HA LYS 53 OK 99 100 100 99 2.5-3.9 3.9=67, 3.0/2389=36...(50) HG2 LYS 53 + HA LYS 53 OK 99 100 100 100 2.4-3.6 3.9=67, 3.0/2389=36...(55) HD2 LYS 53 + HA LYS 53 OK 98 99 100 99 1.9-3.6 1.8/2389=43, 2440/3.0=38...(56) HG13 ILE 52 + HA LYS 53 OK 64 99 75 87 3.2-6.3 ~6871=24, 3.2/10637=20...(21) HG13 ILE 76 - HA LYS 53 far 0 73 0 - 7.2-9.2 QB ALA 22 - HA LYS 53 far 0 71 0 - 9.8-10.9 HB2 LEU 27 - HA LYS 53 far 0 99 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2388 from cnoeabs.peaks (1.46, 5.04, 55.43 ppm; 3.40 A): 4 out of 7 assignments used, quality = 1.00: HG2 LYS 53 + HA LYS 53 OK 100 100 100 100 2.4-3.6 3.9=67, 3.0/2389=36...(55) * HD2 LYS 53 + HA LYS 53 OK 99 100 100 99 1.9-3.6 1.8/2389=43, 2440/3.0=38...(56) HG3 LYS 53 + HA LYS 53 OK 99 99 100 99 2.5-3.9 3.9=67, 3.0/2389=36...(50) HG13 ILE 52 + HA LYS 53 OK 66 100 75 88 3.2-6.3 ~6871=24, 3.2/10637=20...(21) HG13 ILE 76 - HA LYS 53 far 0 88 0 - 7.2-9.2 QB ALA 22 - HA LYS 53 far 0 87 0 - 9.8-10.9 HB2 LEU 27 - HA LYS 53 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2389 from cnoeabs.peaks (1.55, 5.04, 55.43 ppm; 4.47 A): 1 out of 10 assignments used, quality = 1.00: * HD3 LYS 53 + HA LYS 53 OK 100 100 100 100 1.9-3.9 2451/3.0=85, 1.8/2438=68...(60) HG LEU 2 - HA LYS 53 poor 19 63 30 - 5.4-8.7 HG3 ARG 79 - HA LYS 53 far 14 95 15 - 5.7-9.9 HB2 LEU 3 - HA LYS 53 far 5 100 5 - 5.7-7.4 HG2 ARG 79 - HA LYS 53 far 5 94 5 - 4.7-9.4 HG12 ILE 56 - HA LYS 53 far 0 91 0 - 8.2-10.5 HB2 LEU 103 - HA LYS 53 far 0 71 0 - 8.3-13.3 HG LEU 6 - HA LYS 53 far 0 82 0 - 8.3-12.2 HG LEU 103 - HA LYS 53 far 0 77 0 - 8.9-13.3 HB3 LEU 103 - HA LYS 53 far 0 79 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 2392 from cnoeabs.peaks (8.49, 5.04, 55.43 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 54 + HA LYS 53 OK 100 100 100 100 2.2-2.4 6886=100, 6887/3.0=44...(23) H LYS 53 + HA LYS 53 OK 88 88 100 100 2.9-2.9 3.0=100 H ARG 79 - HA LYS 53 far 0 99 0 - 5.3-7.0 H LEU 2 - HA LYS 53 far 0 93 0 - 6.0-8.3 Violated in 0 structures by 0.00 A. Peak 2393 from cnoeabs.peaks (8.47, 1.84, 36.45 ppm; 4.21 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.5-3.3 3.9=100 H VAL 54 + HB2 LYS 53 OK 88 88 100 100 3.5-3.9 4.4=89, 6886/3.0=70...(21) H ARG 79 - HB2 LYS 53 far 0 73 0 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 2394 from cnoeabs.peaks (5.04, 1.84, 36.45 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2395 from cnoeabs.peaks (1.84, 1.84, 36.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HB2 LYS 53 OK 100 100 - 100 Peak 2396 from cnoeabs.peaks (1.69, 1.84, 36.45 ppm; 2.93 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 52 - HB2 LYS 53 far 0 96 0 - 4.9-7.4 HB2 LEU 2 - HB2 LYS 53 far 0 96 0 - 5.3-8.0 HB3 ARG 79 - HB2 LYS 53 far 0 75 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 2397 from cnoeabs.peaks (1.46, 1.84, 36.45 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: * HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.4-2.8 3.0=100 HG3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.2-2.4 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 3.3-4.0 3.6=73, 2440/1.8=50...(58) HG13 ILE 52 - HB2 LYS 53 far 10 100 10 - 4.8-7.4 HB2 LEU 27 - HB2 LYS 53 far 0 100 0 - 7.4-9.7 QB ALA 22 - HB2 LYS 53 far 0 81 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 2398 from cnoeabs.peaks (1.47, 1.84, 36.45 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: * HG3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.2-2.4 3.0=100 HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.4-2.8 3.0=100 HD2 LYS 53 + HB2 LYS 53 OK 99 99 100 100 3.3-4.0 3.6=73, 2440/1.8=50...(58) HG13 ILE 52 - HB2 LYS 53 far 10 99 10 - 4.8-7.4 HB2 LEU 27 - HB2 LYS 53 far 0 99 0 - 7.4-9.7 QB ALA 22 - HB2 LYS 53 far 0 71 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 2399 from cnoeabs.peaks (1.46, 1.84, 36.45 ppm; 3.29 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 2.4-2.8 3.0=100 * HD2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 3.3-4.0 3.6=73, 2440/1.8=50...(58) HG3 LYS 53 + HB2 LYS 53 OK 99 99 100 100 2.2-2.4 3.0=100 HG13 ILE 52 - HB2 LYS 53 far 10 100 10 - 4.8-7.4 HB2 LEU 27 - HB2 LYS 53 far 0 100 0 - 7.4-9.7 QB ALA 22 - HB2 LYS 53 far 0 87 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 2400 from cnoeabs.peaks (1.55, 1.84, 36.45 ppm; 3.91 A): 2 out of 11 assignments used, quality = 1.00: * HD3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 3.3-4.1 3.6=100 HB2 LEU 3 + HB2 LYS 53 OK 99 100 100 99 2.8-4.7 3.1/9186=58, ~8114=39...(24) HG LEU 2 - HB2 LYS 53 poor 13 63 20 - 4.7-8.0 HG2 ARG 79 - HB2 LYS 53 far 0 94 0 - 6.1-9.9 HG3 ARG 79 - HB2 LYS 53 far 0 95 0 - 6.1-10.7 HG LEU 103 - HB2 LYS 53 far 0 77 0 - 8.4-12.8 HG LEU 6 - HB2 LYS 53 far 0 82 0 - 8.9-12.8 HB2 LEU 103 - HB2 LYS 53 far 0 71 0 - 8.9-12.6 HG12 ILE 56 - HB2 LYS 53 far 0 91 0 - 9.1-11.7 HB3 LEU 103 - HB2 LYS 53 far 0 79 0 - 9.5-12.7 HB3 GLU 28 - HB2 LYS 53 far 0 99 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 2401 from cnoeabs.peaks (2.83, 1.84, 36.45 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 3.4-5.1 5.0=84, ~2451=64...(50) HE3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 3.9-5.3 5.0=84, ~2451=64...(51) Violated in 0 structures by 0.00 A. Peak 2402 from cnoeabs.peaks (2.83, 1.84, 36.45 ppm; 4.75 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HB2 LYS 53 OK 100 100 100 100 3.9-5.3 5.0=84, ~2451=64...(51) HE2 LYS 53 + HB2 LYS 53 OK 100 100 100 100 3.4-5.1 5.0=84, ~2451=64...(50) Violated in 0 structures by 0.00 A. Peak 2403 from cnoeabs.peaks (8.49, 1.84, 36.45 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 54 + HB2 LYS 53 OK 100 100 100 100 3.5-3.9 6887=100, 6886/3.0=77...(22) H LYS 53 + HB2 LYS 53 OK 88 88 100 100 2.5-3.3 3.9=100 H LEU 2 - HB2 LYS 53 lone 7 93 40 19 5.0-7.2 8078/8115=8, 2425/3.0=4...(5) H ARG 79 - HB2 LYS 53 far 0 99 0 - 6.6-8.3 Violated in 0 structures by 0.00 A. Peak 2404 from cnoeabs.peaks (8.47, 1.69, 36.45 ppm; 4.23 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.5-3.9 3.9=100 H VAL 54 + HB3 LYS 53 OK 88 88 100 100 2.4-4.5 4.4=91, 6887/1.8=78...(23) H ARG 79 - HB3 LYS 53 poor 15 73 20 - 5.2-8.2 Violated in 0 structures by 0.00 A. Peak 2405 from cnoeabs.peaks (5.04, 1.69, 36.45 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.4-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 2406 from cnoeabs.peaks (1.84, 1.69, 36.45 ppm; 2.97 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 5 - HB3 LYS 53 far 0 92 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 2407 from cnoeabs.peaks (1.69, 1.69, 36.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HB3 LYS 53 OK 100 100 - 100 Peak 2408 from cnoeabs.peaks (1.46, 1.69, 36.45 ppm; 3.30 A): 3 out of 7 assignments used, quality = 1.00: * HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.0-3.1 3.6=74, 1.8/2451=73...(51) HG13 ILE 52 - HB3 LYS 53 far 0 100 0 - 5.1-7.8 QB ALA 22 - HB3 LYS 53 far 0 81 0 - 8.6-9.9 HB2 LEU 27 - HB3 LYS 53 far 0 100 0 - 8.6-10.4 HG13 ILE 76 - HB3 LYS 53 far 0 82 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2409 from cnoeabs.peaks (1.47, 1.69, 36.45 ppm; 3.30 A): 3 out of 7 assignments used, quality = 1.00: * HG3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 HD2 LYS 53 + HB3 LYS 53 OK 99 99 100 100 2.0-3.1 3.6=74, 1.8/2451=73...(50) HG13 ILE 52 - HB3 LYS 53 far 0 99 0 - 5.1-7.8 QB ALA 22 - HB3 LYS 53 far 0 71 0 - 8.6-9.9 HB2 LEU 27 - HB3 LYS 53 far 0 99 0 - 8.6-10.4 HG13 ILE 76 - HB3 LYS 53 far 0 73 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2410 from cnoeabs.peaks (1.46, 1.69, 36.45 ppm; 3.30 A): 3 out of 7 assignments used, quality = 1.00: HG2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.4-3.0 3.0=100 * HD2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.0-3.1 3.6=74, 1.8/2451=73...(51) HG3 LYS 53 + HB3 LYS 53 OK 99 99 100 100 2.4-3.0 3.0=100 HG13 ILE 52 - HB3 LYS 53 far 0 100 0 - 5.1-7.8 QB ALA 22 - HB3 LYS 53 far 0 87 0 - 8.6-9.9 HB2 LEU 27 - HB3 LYS 53 far 0 100 0 - 8.6-10.4 HG13 ILE 76 - HB3 LYS 53 far 0 88 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2411 from cnoeabs.peaks (1.55, 1.69, 36.45 ppm; 4.23 A): 2 out of 10 assignments used, quality = 1.00: * HD3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 2.1-3.4 3.6=100 HB2 LEU 3 + HB3 LYS 53 OK 65 100 65 100 4.2-6.4 3.1/8114=73, 3.0/9187=44...(21) HG3 ARG 79 - HB3 LYS 53 far 14 95 15 - 4.7-9.0 HG2 ARG 79 - HB3 LYS 53 far 14 94 15 - 4.4-8.2 HG LEU 2 - HB3 LYS 53 far 0 63 0 - 6.2-9.5 HB2 LEU 103 - HB3 LYS 53 far 0 71 0 - 7.4-11.4 HG LEU 103 - HB3 LYS 53 far 0 77 0 - 7.5-11.7 HG12 ILE 56 - HB3 LYS 53 far 0 91 0 - 8.0-10.7 HG LEU 6 - HB3 LYS 53 far 0 82 0 - 8.5-12.1 HB3 LEU 103 - HB3 LYS 53 far 0 79 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 2412 from cnoeabs.peaks (2.83, 1.69, 36.45 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.4-4.6 3.0/2451=90, 5.0=82...(49) HE3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.2-4.6 3.0/2451=90, 5.0=82...(50) Violated in 0 structures by 0.00 A. Peak 2413 from cnoeabs.peaks (2.83, 1.69, 36.45 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.2-4.6 3.0/2451=90, 5.0=82...(50) HE2 LYS 53 + HB3 LYS 53 OK 100 100 100 100 3.4-4.6 3.0/2451=90, 5.0=82...(49) Violated in 0 structures by 0.00 A. Peak 2414 from cnoeabs.peaks (8.49, 1.69, 36.45 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 54 + HB3 LYS 53 OK 100 100 100 100 2.4-4.5 6887/1.8=90, 4.4=83...(24) H LYS 53 + HB3 LYS 53 OK 88 88 100 100 2.5-3.9 3.9=100 H ARG 79 - HB3 LYS 53 far 10 99 10 - 5.2-8.2 H LEU 2 - HB3 LYS 53 far 5 93 5 - 4.3-8.7 Violated in 0 structures by 0.00 A. Peak 2415 from cnoeabs.peaks (8.47, 1.46, 25.00 ppm; 4.39 A): 4 out of 9 assignments used, quality = 1.00: * H LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.7-4.8 5.0=66, 6876/3.0=36...(33) H LYS 53 + HG3 LYS 53 OK 99 100 100 100 3.3-4.7 5.0=66, 6876/3.0=36...(28) H VAL 54 + HG2 LYS 53 OK 88 88 100 100 4.3-5.0 6887/3.0=66, 6886/3.9=60...(23) H VAL 54 + HG3 LYS 53 OK 86 87 100 99 3.2-5.2 6887/3.0=66, 6886/3.9=60...(22) H ARG 79 - HG3 LYS 53 far 4 72 5 - 5.8-9.1 H ARG 79 - HG2 LYS 53 far 0 73 0 - 7.5-9.1 H LEU 29 - HG2 LYS 20 far 0 91 0 - 8.2-8.9 H ALA 67 - HG2 LYS 73 far 0 56 0 - 9.1-11.3 H VAL 32 - HG2 LYS 12 far 0 82 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2416 from cnoeabs.peaks (5.04, 1.46, 25.00 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.6 3.9=100 HA LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.5-3.9 3.9=100 Violated in 0 structures by 0.00 A. Peak 2417 from cnoeabs.peaks (1.84, 1.46, 25.00 ppm; 2.95 A): 4 out of 18 assignments used, quality = 1.00: * HB2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-2.8 3.0=98, ~2451=22...(45) HB2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.2-2.4 3.0=98, ~2451=22...(43) HB2 LYS 12 + HG2 LYS 12 OK 71 71 100 100 2.6-3.0 3.0=100 HB3 LYS 12 + HG2 LYS 12 OK 68 68 100 100 2.3-2.8 3.0=100 HG2 ARG 46 - HG2 LYS 47 poor 7 56 45 27 2.5-8.4 6765/6772=10, 10178=7...(6) HB3 LYS 90 - HG2 LYS 20 far 5 96 5 - 4.4-7.9 HB2 LYS 90 - HG2 LYS 20 far 0 74 0 - 4.6-8.7 HB3 LYS 39 - HG2 LYS 73 far 0 49 0 - 6.2-8.9 HB ILE 93 - HG2 LYS 20 far 0 57 0 - 7.3-9.9 HB2 LEU 42 - HG2 LYS 47 far 0 36 0 - 8.0-11.9 HB2 LYS 68 - HG2 LYS 73 far 0 60 0 - 8.2-11.2 HB2 LEU 42 - HG2 LYS 73 far 0 35 0 - 8.5-10.4 HB3 LYS 68 - HG2 LYS 73 far 0 39 0 - 8.6-10.3 HG2 ARG 46 - HG2 LYS 53 far 0 96 0 - 9.0-16.1 HB VAL 5 - HG2 LYS 20 far 0 87 0 - 9.0-10.2 HB2 LYS 12 - HG2 LYS 20 far 0 83 0 - 9.5-11.8 HB3 LYS 66 - HG2 LYS 73 far 0 50 0 - 9.5-12.1 HB2 GLU 104 - HG3 LYS 53 far 0 72 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 2418 from cnoeabs.peaks (1.69, 1.46, 25.00 ppm; 2.42 A): 11 out of 41 assignments used, quality = 1.00: HG3 LYS 20 + HG2 LYS 20 OK 95 95 100 100 1.8-1.8 1.8=100 * HB3 LYS 53 + HG2 LYS 53 OK 92 100 100 92 2.4-3.0 3.0=54, 2451/3.0=28...(30) HB3 LYS 53 + HG3 LYS 53 OK 92 100 100 92 2.4-3.0 3.0=54, 2451/3.0=28...(29) HD2 LYS 20 + HG2 LYS 20 OK 87 96 100 91 2.4-2.6 2.8=61, 1.8/1729=7...(48) HD3 LYS 20 + HG2 LYS 20 OK 85 95 100 90 2.3-3.0 2.8=61, 5.3/848=7...(51) HD2 LYS 12 + HG2 LYS 12 OK 75 80 100 94 2.3-3.0 3.0=53, 3.0/463=21...(58) HD3 LYS 12 + HG2 LYS 12 OK 75 80 100 94 2.3-3.0 3.0=53, 3.0/463=21...(58) HD3 LYS 47 + HG2 LYS 47 OK 58 62 100 92 2.3-3.0 3.0=54, 2195/1.8=10...(58) HD2 LYS 47 + HG2 LYS 47 OK 57 62 100 92 2.3-3.0 3.0=54, 2195/1.8=10...(57) HD2 LYS 73 + HG2 LYS 73 OK 47 52 100 91 2.3-3.0 3.0=55, 3298/1.8=19...(50) HD3 LYS 73 + HG2 LYS 73 OK 46 50 100 92 2.5-3.0 3.0=55, 3298/1.8=19...(56) HB3 LEU 70 - HG2 LYS 73 far 0 39 0 - 4.5-6.5 HB2 LEU 2 - HG2 LYS 53 far 0 96 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 96 0 - 4.9-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 78 0 - 5.3-8.4 HG LEU 70 - HG2 LYS 73 far 0 56 0 - 5.7-7.5 HD3 LYS 90 - HG2 LYS 20 far 0 95 0 - 5.7-10.7 HB2 LEU 2 - HG3 LYS 53 far 0 95 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 95 0 - 5.8-8.1 HD2 LYS 13 - HG2 LYS 12 far 0 80 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 12 far 0 85 0 - 6.2-8.3 HD2 LYS 39 - HG2 LYS 73 far 0 38 0 - 6.3-10.8 HD3 LYS 24 - HG2 LYS 20 far 0 95 0 - 6.6-11.6 HB3 ARG 79 - HG3 LYS 53 far 0 74 0 - 6.7-9.3 HB3 ARG 79 - HG2 LYS 53 far 0 75 0 - 7.1-10.3 HD2 LYS 24 - HG2 LYS 20 far 0 95 0 - 7.6-10.9 HD2 LYS 33 - HG2 LYS 12 far 0 45 0 - 7.7-12.5 HD3 LYS 66 - HG2 LYS 73 far 0 53 0 - 8.1-10.9 HD2 LYS 68 - HG2 LYS 73 far 0 36 0 - 8.2-10.3 HD3 LYS 33 - HG2 LYS 12 far 0 45 0 - 8.4-13.3 HG2 PRO 86 - HG2 LYS 20 far 0 96 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 85 0 - 9.0-12.7 HB ILE 52 - HG2 LYS 47 far 0 57 0 - 9.0-12.4 HG2 PRO 86 - HG2 LYS 12 far 0 85 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 92 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 92 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 90 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 96 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 92 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 83 0 - 9.6-13.2 HD3 LYS 68 - HG2 LYS 73 far 0 35 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2419 from cnoeabs.peaks (1.46, 1.46, 25.00 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 HG3 LYS 53 + HG3 LYS 53 OK 99 99 - 100 HG2 LYS 20 + HG2 LYS 20 OK 97 97 - 100 HG2 LYS 12 + HG2 LYS 12 OK 77 77 - 100 HG2 LYS 47 + HG2 LYS 47 OK 44 44 - 100 HG2 LYS 73 + HG2 LYS 73 OK 40 40 - 100 Peak 2420 from cnoeabs.peaks (1.47, 1.46, 25.00 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 HG3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 HG2 LYS 20 + HG2 LYS 20 OK 95 95 - 100 HG2 LYS 12 + HG2 LYS 12 OK 71 71 - 100 HG2 LYS 47 + HG2 LYS 47 OK 49 49 - 100 HG2 LYS 73 + HG2 LYS 73 OK 46 46 - 100 Reference assignment not found: HG3 LYS 53 - HG2 LYS 53 Peak 2421 from cnoeabs.peaks (1.46, 1.46, 25.00 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 HG3 LYS 53 + HG3 LYS 53 OK 98 98 - 100 HG2 LYS 20 + HG2 LYS 20 OK 97 97 - 100 HG2 LYS 12 + HG2 LYS 12 OK 81 81 - 100 HG2 LYS 47 + HG2 LYS 47 OK 39 39 - 100 HG2 LYS 73 + HG2 LYS 73 OK 36 36 - 100 Reference assignment not found: HD2 LYS 53 - HG2 LYS 53 Peak 2422 from cnoeabs.peaks (1.55, 1.46, 25.00 ppm; 2.62 A): 2 out of 25 assignments used, quality = 1.00: * HD3 LYS 53 + HG2 LYS 53 OK 98 100 100 98 2.2-3.0 3.0=70, 2451/3.0=33...(49) HD3 LYS 53 + HG3 LYS 53 OK 97 100 100 98 2.2-3.0 3.0=70, 2451/3.0=33...(50) HG2 ARG 19 - HG2 LYS 20 far 7 66 10 - 1.9-6.7 HB2 LEU 3 - HG3 LYS 53 far 0 100 0 - 4.2-6.3 HG2 ARG 79 - HG3 LYS 53 far 0 93 0 - 4.4-10.3 HG3 LYS 90 - HG2 LYS 20 far 0 68 0 - 4.6-8.8 HG3 ARG 79 - HG3 LYS 53 far 0 94 0 - 4.6-10.7 HG LEU 2 - HG2 LYS 53 far 0 63 0 - 4.7-9.2 HB2 LEU 3 - HG2 LYS 53 far 0 100 0 - 4.8-6.9 HG2 ARG 79 - HG2 LYS 53 far 0 94 0 - 5.7-11.1 HG LEU 2 - HG3 LYS 53 far 0 62 0 - 6.1-9.7 HG3 ARG 79 - HG2 LYS 53 far 0 95 0 - 6.2-11.2 HB2 LEU 103 - HG3 LYS 53 far 0 70 0 - 6.9-13.0 HB2 LEU 103 - HG2 LYS 53 far 0 71 0 - 7.3-13.6 HB2 LEU 14 - HG2 LYS 12 far 0 61 0 - 7.9-9.8 HG2 LYS 24 - HG2 LYS 20 far 0 64 0 - 8.0-10.2 HB3 LEU 103 - HG3 LYS 53 far 0 78 0 - 8.1-12.8 HG LEU 103 - HG3 LYS 53 far 0 76 0 - 8.4-12.2 HG12 ILE 56 - HG3 LYS 53 far 0 89 0 - 8.7-13.1 HB3 LEU 103 - HG2 LYS 53 far 0 79 0 - 8.8-14.0 HB ILE 7 - HG2 LYS 20 far 0 72 0 - 9.1-9.7 HG2 ARG 19 - HG2 LYS 12 far 0 56 0 - 9.3-12.1 HB2 LEU 14 - HG2 LYS 20 far 0 72 0 - 9.3-10.7 HG LEU 103 - HG2 LYS 53 far 0 77 0 - 9.6-13.2 HG2 LYS 33 - HG2 LYS 12 far 0 86 0 - 10.0-14.4 Violated in 0 structures by 0.00 A. Peak 2423 from cnoeabs.peaks (2.83, 1.46, 25.00 ppm; 3.47 A): 4 out of 5 assignments used, quality = 1.00: * HE2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.4 3.9=70, 3.0/2433=36...(50) HE3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 1.9-4.1 3.9=70, 3.0/2433=36...(50) HE2 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.0-4.0 3.9=70, 3.0/2433=36...(49) HE3 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.3-3.5 3.9=70, 3.0/2433=36...(49) HE2 LYS 90 - HG2 LYS 20 far 0 88 0 - 5.6-9.2 Violated in 0 structures by 0.00 A. Peak 2424 from cnoeabs.peaks (2.83, 1.46, 25.00 ppm; 3.47 A): 4 out of 6 assignments used, quality = 1.00: * HE3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 1.9-4.1 3.9=70, 3.0/2433=36...(50) HE2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.4 3.9=70, 3.0/2433=36...(50) HE3 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.3-3.5 3.9=70, 3.0/2433=36...(49) HE2 LYS 53 + HG3 LYS 53 OK 99 100 100 100 2.0-4.0 3.9=70, 3.0/2433=36...(49) HE2 LYS 39 - HG2 LYS 73 far 1 30 5 - 4.5-11.1 HE2 LYS 90 - HG2 LYS 20 far 0 84 0 - 5.6-9.2 Violated in 0 structures by 0.00 A. Peak 2425 from cnoeabs.peaks (8.49, 1.46, 25.00 ppm; 4.21 A): 5 out of 11 assignments used, quality = 1.00: * H VAL 54 + HG2 LYS 53 OK 100 100 100 100 4.3-5.0 6887/3.0=74, 6886/3.9=67...(23) H VAL 54 + HG3 LYS 53 OK 99 100 100 100 3.2-5.2 6887/3.0=74, 6886/3.9=67...(22) H LYS 53 + HG2 LYS 53 OK 88 88 100 100 2.7-4.8 5.0=58, ~2389=29...(33) H LYS 53 + HG3 LYS 53 OK 86 87 100 99 3.3-4.7 5.0=58, ~2389=29...(27) H LEU 2 + HG2 LYS 53 OK 33 93 60 59 4.1-6.9 6006/8016=17...(14) H LEU 2 - HG3 LYS 53 poor 13 92 30 48 4.5-7.2 6006/8016=15...(9) H ARG 79 - HG3 LYS 53 far 0 98 0 - 5.8-9.1 H ARG 79 - HG2 LYS 53 far 0 99 0 - 7.5-9.1 H LEU 29 - HG2 LYS 20 far 0 55 0 - 8.2-8.9 H ALA 67 - HG2 LYS 73 far 0 57 0 - 9.1-11.3 H VAL 32 - HG2 LYS 12 far 0 84 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2426 from cnoeabs.peaks (8.47, 1.47, 25.00 ppm; 4.43 A): 4 out of 9 assignments used, quality = 1.00: * H LYS 53 + HG3 LYS 53 OK 100 100 100 100 3.3-4.7 5.0=67, 6876/3.0=36...(28) H LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.7-4.8 5.0=67, 6876/3.0=36...(33) H VAL 54 + HG3 LYS 53 OK 88 88 100 99 3.2-5.2 6887/3.0=67, 6886/3.9=61...(22) H VAL 54 + HG2 LYS 53 OK 87 87 100 100 4.3-5.0 6887/3.0=67, 6886/3.9=61...(23) H ARG 79 - HG3 LYS 53 far 4 73 5 - 5.8-9.1 H ARG 79 - HG2 LYS 53 far 0 72 0 - 7.5-9.1 H LEU 29 - HG2 LYS 20 far 0 87 0 - 8.2-8.9 H ALA 67 - HG2 LYS 73 far 0 68 0 - 9.1-11.3 H VAL 32 - HG2 LYS 12 far 0 71 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2427 from cnoeabs.peaks (5.04, 1.47, 25.00 ppm; 3.96 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.5-3.9 3.9=100 HA LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.6 3.9=100 HA SER 59 - HG3 LYS 13 far 0 51 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 2428 from cnoeabs.peaks (1.84, 1.47, 25.00 ppm; 3.11 A): 4 out of 21 assignments used, quality = 1.00: * HB2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.2-2.4 3.0=100 HB2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-2.8 3.0=100 HB2 LYS 12 + HG2 LYS 12 OK 61 61 100 100 2.6-3.0 3.0=100 HB3 LYS 12 + HG2 LYS 12 OK 58 58 100 100 2.3-2.8 3.0=100 HG2 ARG 46 - HG2 LYS 47 poor 11 68 50 33 2.5-8.4 6765/6772=13, 10178=9...(7) HB3 LYS 90 - HG2 LYS 20 far 9 92 10 - 4.4-7.9 HB2 LYS 90 - HG2 LYS 20 far 3 69 5 - 4.6-8.7 HB3 LYS 12 - HG3 LYS 13 far 0 45 0 - 5.1-7.1 HB3 LYS 39 - HG2 LYS 73 far 0 61 0 - 6.2-8.9 HB2 LYS 12 - HG3 LYS 13 far 0 47 0 - 6.5-7.8 HB ILE 93 - HG2 LYS 20 far 0 53 0 - 7.3-9.9 HB2 LEU 42 - HG2 LYS 47 far 0 45 0 - 8.0-11.9 HB2 LYS 68 - HG2 LYS 73 far 0 73 0 - 8.2-11.2 HB2 LEU 42 - HG2 LYS 73 far 0 44 0 - 8.5-10.4 HB3 LYS 68 - HG2 LYS 73 far 0 49 0 - 8.6-10.3 HG2 ARG 46 - HG2 LYS 53 far 0 95 0 - 9.0-16.1 HB VAL 5 - HG2 LYS 20 far 0 82 0 - 9.0-10.2 HB2 LYS 90 - HG3 LYS 13 far 0 40 0 - 9.3-12.3 HB2 LYS 12 - HG2 LYS 20 far 0 78 0 - 9.5-11.8 HB3 LYS 66 - HG2 LYS 73 far 0 62 0 - 9.5-12.1 HB2 GLU 104 - HG3 LYS 53 far 0 73 0 - 9.8-16.0 Violated in 0 structures by 0.00 A. Peak 2429 from cnoeabs.peaks (1.69, 1.47, 25.00 ppm; 2.40 A): 13 out of 49 assignments used, quality = 1.00: * HB3 LYS 53 + HG3 LYS 53 OK 92 100 100 92 2.4-3.0 3.0=53, 2451/3.0=27...(29) HB3 LYS 53 + HG2 LYS 53 OK 92 100 100 92 2.4-3.0 3.0=53, 2451/3.0=27...(29) HG3 LYS 20 + HG2 LYS 20 OK 90 90 100 100 1.8-1.8 1.8=100 HD2 LYS 20 + HG2 LYS 20 OK 83 92 100 90 2.4-2.6 2.8=60, 5.3/848=7...(47) HD3 LYS 20 + HG2 LYS 20 OK 81 90 100 90 2.3-3.0 2.8=60, 5.3/848=7...(48) HD3 LYS 47 + HG2 LYS 47 OK 69 75 100 92 2.3-3.0 3.0=53, 2195/1.8=10...(56) HD2 LYS 47 + HG2 LYS 47 OK 69 75 100 92 2.3-3.0 3.0=53, 2195/1.8=10...(56) HD2 LYS 12 + HG2 LYS 12 OK 65 69 100 93 2.3-3.0 3.0=52, 3.0/463=19...(54) HD3 LYS 12 + HG2 LYS 12 OK 65 69 100 93 2.3-3.0 3.0=52, 3.0/463=19...(54) HD2 LYS 73 + HG2 LYS 73 OK 58 64 100 91 2.3-3.0 3.0=54, 3298/1.8=19...(49) HD3 LYS 73 + HG2 LYS 73 OK 57 62 100 92 2.5-3.0 3.0=54, 3298/1.8=19...(56) HD2 LYS 13 + HG3 LYS 13 OK 47 54 100 86 2.4-3.0 3.0=54, 487/3.9=8...(44) HD3 LYS 13 + HG3 LYS 13 OK 45 53 100 86 2.4-3.0 3.0=54, 487/3.9=7...(41) HG2 PRO 86 - HG3 LYS 13 far 0 59 0 - 4.1-6.0 HB3 LEU 70 - HG2 LYS 73 far 0 49 0 - 4.5-6.5 HB2 LEU 2 - HG2 LYS 53 far 0 95 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 95 0 - 4.9-8.4 HD3 LYS 13 - HG2 LYS 12 far 0 67 0 - 5.3-8.4 HG LEU 70 - HG2 LYS 73 far 0 68 0 - 5.7-7.5 HD3 LYS 90 - HG2 LYS 20 far 0 90 0 - 5.7-10.7 HB2 LEU 2 - HG3 LYS 53 far 0 96 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 96 0 - 5.8-8.1 HD2 LYS 13 - HG2 LYS 12 far 0 69 0 - 6.0-8.5 HG12 ILE 15 - HG2 LYS 12 far 0 74 0 - 6.2-8.3 HD2 LYS 39 - HG2 LYS 73 far 0 48 0 - 6.3-10.8 HD3 LYS 24 - HG2 LYS 20 far 0 90 0 - 6.6-11.6 HB3 ARG 79 - HG3 LYS 53 far 0 75 0 - 6.7-9.3 HD3 LYS 12 - HG3 LYS 13 far 0 54 0 - 7.1-9.6 HB3 ARG 79 - HG2 LYS 53 far 0 74 0 - 7.1-10.3 HD2 LYS 12 - HG3 LYS 13 far 0 54 0 - 7.2-9.2 HG12 ILE 15 - HG3 LYS 13 far 0 58 0 - 7.5-8.5 HD2 LYS 24 - HG2 LYS 20 far 0 91 0 - 7.6-10.9 HD2 LYS 33 - HG2 LYS 12 far 0 38 0 - 7.7-12.5 HD3 LYS 66 - HG2 LYS 73 far 0 66 0 - 8.1-10.9 HD2 LYS 68 - HG2 LYS 73 far 0 45 0 - 8.2-10.3 HD3 LYS 90 - HG3 LYS 13 far 0 57 0 - 8.3-12.4 HD3 LYS 33 - HG2 LYS 12 far 0 38 0 - 8.4-13.3 HG2 PRO 86 - HG2 LYS 20 far 0 92 0 - 9.0-11.7 HD2 LYS 20 - HG2 LYS 12 far 0 74 0 - 9.0-12.7 HB ILE 52 - HG2 LYS 47 far 0 69 0 - 9.0-12.4 HG2 PRO 86 - HG2 LYS 12 far 0 74 0 - 9.1-11.6 HD2 LYS 12 - HG2 LYS 20 far 0 87 0 - 9.3-12.2 HD3 LYS 12 - HG2 LYS 20 far 0 87 0 - 9.3-13.8 HD3 LYS 13 - HG2 LYS 20 far 0 86 0 - 9.5-13.3 HG12 ILE 15 - HG2 LYS 20 far 0 92 0 - 9.5-9.9 HD2 LYS 13 - HG2 LYS 20 far 0 87 0 - 9.5-12.9 HD3 LYS 20 - HG2 LYS 12 far 0 72 0 - 9.6-13.2 HD3 LYS 68 - HG2 LYS 73 far 0 44 0 - 9.9-11.4 HD2 LYS 20 - HG3 LYS 13 far 0 58 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2430 from cnoeabs.peaks (1.46, 1.47, 25.00 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HG3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 HG2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 HG2 LYS 20 + HG2 LYS 20 OK 93 93 - 100 HG2 LYS 12 + HG2 LYS 12 OK 66 66 - 100 HG2 LYS 47 + HG2 LYS 47 OK 54 54 - 100 HG2 LYS 73 + HG2 LYS 73 OK 51 51 - 100 HG3 LYS 13 + HG3 LYS 13 OK 35 35 - 100 Reference assignment not found: HG2 LYS 53 - HG3 LYS 53 Peak 2431 from cnoeabs.peaks (1.47, 1.47, 25.00 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 HG2 LYS 53 + HG2 LYS 53 OK 99 99 - 100 HG2 LYS 20 + HG2 LYS 20 OK 90 90 - 100 HG2 LYS 12 + HG2 LYS 12 OK 61 61 - 100 HG2 LYS 47 + HG2 LYS 47 OK 61 61 - 100 HG2 LYS 73 + HG2 LYS 73 OK 57 57 - 100 HG3 LYS 13 + HG3 LYS 13 OK 40 40 - 100 Peak 2432 from cnoeabs.peaks (1.46, 1.47, 25.00 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HG2 LYS 53 + HG2 LYS 53 OK 99 99 - 100 HG3 LYS 53 + HG3 LYS 53 OK 99 99 - 100 HG2 LYS 20 + HG2 LYS 20 OK 94 94 - 100 HG2 LYS 12 + HG2 LYS 12 OK 70 70 - 100 HG2 LYS 47 + HG2 LYS 47 OK 48 48 - 100 HG2 LYS 73 + HG2 LYS 73 OK 45 45 - 100 HG3 LYS 13 + HG3 LYS 13 OK 30 30 - 100 Reference assignment not found: HD2 LYS 53 - HG3 LYS 53 Peak 2433 from cnoeabs.peaks (1.55, 1.47, 25.00 ppm; 2.40 A): 2 out of 27 assignments used, quality = 1.00: * HD3 LYS 53 + HG3 LYS 53 OK 94 100 100 94 2.2-3.0 3.0=53, 2451/3.0=27...(47) HD3 LYS 53 + HG2 LYS 53 OK 94 100 100 94 2.2-3.0 3.0=53, 2451/3.0=27...(46) HG2 ARG 19 - HG2 LYS 20 far 6 62 10 - 1.9-6.7 HB2 LEU 14 - HG3 LYS 13 far 2 39 5 - 3.6-5.6 HB2 LEU 3 - HG3 LYS 53 far 0 100 0 - 4.2-6.3 HG2 ARG 79 - HG3 LYS 53 far 0 94 0 - 4.4-10.3 HG3 LYS 90 - HG2 LYS 20 far 0 64 0 - 4.6-8.8 HG3 ARG 79 - HG3 LYS 53 far 0 95 0 - 4.6-10.7 HG LEU 2 - HG2 LYS 53 far 0 62 0 - 4.7-9.2 HB2 LEU 3 - HG2 LYS 53 far 0 100 0 - 4.8-6.9 HG2 ARG 79 - HG2 LYS 53 far 0 93 0 - 5.7-11.1 HG LEU 2 - HG3 LYS 53 far 0 63 0 - 6.1-9.7 HG3 ARG 79 - HG2 LYS 53 far 0 94 0 - 6.2-11.2 HB2 LEU 103 - HG3 LYS 53 far 0 71 0 - 6.9-13.0 HB2 LEU 103 - HG2 LYS 53 far 0 70 0 - 7.3-13.6 HB2 LEU 14 - HG2 LYS 12 far 0 51 0 - 7.9-9.8 HG2 LYS 24 - HG2 LYS 20 far 0 60 0 - 8.0-10.2 HB3 LEU 103 - HG3 LYS 53 far 0 79 0 - 8.1-12.8 HG LEU 103 - HG3 LYS 53 far 0 77 0 - 8.4-12.2 HG3 LYS 90 - HG3 LYS 13 far 0 37 0 - 8.4-12.6 HG12 ILE 56 - HG3 LYS 53 far 0 91 0 - 8.7-13.1 HB3 LEU 103 - HG2 LYS 53 far 0 78 0 - 8.8-14.0 HB ILE 7 - HG2 LYS 20 far 0 67 0 - 9.1-9.7 HG2 ARG 19 - HG2 LYS 12 far 0 47 0 - 9.3-12.1 HB2 LEU 14 - HG2 LYS 20 far 0 67 0 - 9.3-10.7 HG LEU 103 - HG2 LYS 53 far 0 76 0 - 9.6-13.2 HG2 LYS 33 - HG2 LYS 12 far 0 75 0 - 10.0-14.4 Violated in 8 structures by 0.02 A. Peak 2434 from cnoeabs.peaks (2.83, 1.47, 25.00 ppm; 3.51 A): 4 out of 6 assignments used, quality = 1.00: * HE2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.0-4.0 3.9=72, 3.0/2433=37...(49) HE3 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.3-3.5 3.9=72, 3.0/2433=37...(49) HE2 LYS 53 + HG2 LYS 53 OK 100 100 100 100 2.4-3.4 3.9=72, 3.0/2433=37...(50) HE3 LYS 53 + HG2 LYS 53 OK 99 100 100 100 1.9-4.1 3.9=72, 3.0/2433=37...(50) HE2 LYS 90 - HG2 LYS 20 far 0 83 0 - 5.6-9.2 HE2 LYS 90 - HG3 LYS 13 far 0 51 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2435 from cnoeabs.peaks (2.83, 1.47, 25.00 ppm; 3.51 A): 4 out of 7 assignments used, quality = 1.00: * HE3 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.3-3.5 3.9=72, 3.0/2433=37...(49) HE2 LYS 53 + HG3 LYS 53 OK 100 100 100 100 2.0-4.0 3.9=72, 3.0/2433=37...(49) HE3 LYS 53 + HG2 LYS 53 OK 100 100 100 100 1.9-4.1 3.9=72, 3.0/2433=37...(50) HE2 LYS 53 + HG2 LYS 53 OK 99 100 100 100 2.4-3.4 3.9=72, 3.0/2433=37...(50) HE2 LYS 39 - HG2 LYS 73 far 2 38 5 - 4.5-11.1 HE2 LYS 90 - HG2 LYS 20 far 0 80 0 - 5.6-9.2 HE2 LYS 90 - HG3 LYS 13 far 0 48 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 2436 from cnoeabs.peaks (8.49, 1.47, 25.00 ppm; 4.20 A): 5 out of 11 assignments used, quality = 1.00: * H VAL 54 + HG3 LYS 53 OK 100 100 100 100 3.2-5.2 6887/3.0=74, 6886/3.9=67...(22) H VAL 54 + HG2 LYS 53 OK 99 100 100 100 4.3-5.0 6887/3.0=74, 6886/3.9=67...(23) H LYS 53 + HG3 LYS 53 OK 88 88 100 99 3.3-4.7 5.0=58, ~2389=28...(27) H LYS 53 + HG2 LYS 53 OK 87 87 100 100 2.7-4.8 5.0=58, ~2389=28...(33) H LEU 2 + HG2 LYS 53 OK 32 92 60 58 4.1-6.9 6006/8016=17...(13) H LEU 2 - HG3 LYS 53 poor 13 93 30 48 4.5-7.2 6006/8016=15...(10) H ARG 79 - HG3 LYS 53 far 0 99 0 - 5.8-9.1 H ARG 79 - HG2 LYS 53 far 0 98 0 - 7.5-9.1 H LEU 29 - HG2 LYS 20 far 0 51 0 - 8.2-8.9 H ALA 67 - HG2 LYS 73 far 0 70 0 - 9.1-11.3 H VAL 32 - HG2 LYS 12 far 0 73 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2437 from cnoeabs.peaks (8.47, 1.46, 29.44 ppm; 5.58 A): 3 out of 3 assignments used, quality = 1.00: * H LYS 53 + HD2 LYS 53 OK 100 100 100 100 3.9-5.6 5.9=86, 3.0/2438=82...(28) H VAL 54 + HD2 LYS 53 OK 88 88 100 100 3.4-4.3 6887/3.6=77, 3.6/2438=75...(22) H ARG 79 + HD2 LYS 53 OK 24 73 85 38 5.8-7.5 10331/9675=13...(7) Violated in 0 structures by 0.00 A. Peak 2438 from cnoeabs.peaks (5.04, 1.46, 29.44 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HD2 LYS 53 OK 100 100 100 100 1.9-3.6 2389/1.8=88, 5.3=77...(58) Violated in 0 structures by 0.00 A. Peak 2439 from cnoeabs.peaks (1.84, 1.46, 29.44 ppm; 3.98 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 3.3-4.0 3.6=100 HB2 GLU 88 + HB2 ARG 91 OK 25 36 80 86 5.1-6.9 3.0/3870=26, ~9960=19...(19) HB2 LYS 90 - HB2 ARG 91 poor 18 39 45 - 4.9-7.2 HB3 GLU 104 - HB2 ARG 91 far 4 39 10 - 5.0-17.7 HB2 GLU 104 - HB2 ARG 91 far 4 36 10 - 4.0-17.8 HB3 LYS 90 - HB2 ARG 91 far 0 57 0 - 5.7-6.7 HB ILE 93 - HB2 ARG 91 far 0 29 0 - 6.4-6.7 HB3 LEU 57 - HB2 ARG 91 far 0 51 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 2440 from cnoeabs.peaks (1.69, 1.46, 29.44 ppm; 2.95 A): 2 out of 7 assignments used, quality = 1.00: * HB3 LYS 53 + HD2 LYS 53 OK 99 100 100 99 2.0-3.1 2451/1.8=60, 3.6=53...(49) HB3 ARG 91 + HB2 ARG 91 OK 58 58 100 100 1.8-1.8 1.8=100 HD3 LYS 90 - HB2 ARG 91 poor 11 55 20 - 4.0-7.5 HB3 ARG 79 - HD2 LYS 53 far 0 75 0 - 4.9-8.6 HB ILE 52 - HD2 LYS 53 far 0 96 0 - 6.1-8.3 HB2 LEU 2 - HD2 LYS 53 far 0 96 0 - 6.1-10.5 HG2 PRO 86 - HB2 ARG 91 far 0 57 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 2441 from cnoeabs.peaks (1.46, 1.46, 29.44 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 HB2 ARG 91 + HB2 ARG 91 OK 46 46 - 100 Reference assignment not found: HG2 LYS 53 - HD2 LYS 53 Peak 2442 from cnoeabs.peaks (1.47, 1.46, 29.44 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 53 + HD2 LYS 53 OK 99 99 - 100 HB2 ARG 91 + HB2 ARG 91 OK 50 50 - 100 Reference assignment not found: HG3 LYS 53 - HD2 LYS 53 Peak 2443 from cnoeabs.peaks (1.46, 1.46, 29.44 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 HB2 ARG 91 + HB2 ARG 91 OK 41 41 - 100 Peak 2444 from cnoeabs.peaks (1.55, 1.46, 29.44 ppm; 2.50 A): 1 out of 14 assignments used, quality = 1.00: * HD3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 90 - HB2 ARG 91 far 0 36 0 - 4.2-7.5 HG2 ARG 79 - HD2 LYS 53 far 0 94 0 - 4.5-9.0 HG3 ARG 79 - HD2 LYS 53 far 0 95 0 - 5.1-9.3 HB2 LEU 3 - HD2 LYS 53 far 0 100 0 - 6.3-8.5 HG LEU 2 - HD2 LYS 53 far 0 63 0 - 6.5-10.4 HB3 LEU 103 - HB2 ARG 91 far 0 39 0 - 7.0-17.9 HB2 LEU 103 - HD2 LYS 53 far 0 71 0 - 7.2-11.6 HG LEU 103 - HD2 LYS 53 far 0 77 0 - 7.3-11.9 HB2 LEU 103 - HB2 ARG 91 far 0 35 0 - 8.1-18.1 HB3 LEU 103 - HD2 LYS 53 far 0 79 0 - 8.2-12.5 HG12 ILE 56 - HD2 LYS 53 far 0 91 0 - 9.0-12.1 HG LEU 103 - HB2 ARG 91 far 0 38 0 - 9.1-19.1 HB2 LEU 14 - HB2 ARG 91 far 0 38 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 2445 from cnoeabs.peaks (2.83, 1.46, 29.44 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 90 - HB2 ARG 91 far 0 49 0 - 5.8-8.2 Violated in 0 structures by 0.00 A. Peak 2446 from cnoeabs.peaks (2.83, 1.46, 29.44 ppm; 3.45 A): 2 out of 3 assignments used, quality = 1.00: * HE3 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 53 + HD2 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 90 - HB2 ARG 91 far 0 47 0 - 5.8-8.2 Violated in 0 structures by 0.00 A. Peak 2447 from cnoeabs.peaks (8.49, 1.46, 29.44 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 54 + HD2 LYS 53 OK 100 100 100 100 3.4-4.3 6887/3.6=83...(23) H LYS 53 + HD2 LYS 53 OK 88 88 100 100 3.9-5.6 3.0/2438=71, 5.9=64...(27) H ARG 79 - HD2 LYS 53 poor 18 99 45 41 5.8-7.5 10331/9675=17...(7) H LEU 2 - HD2 LYS 53 far 5 93 5 - 5.9-9.2 Violated in 0 structures by 0.00 A. Peak 2448 from cnoeabs.peaks (8.47, 1.55, 29.44 ppm; 5.63 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 53 + HD3 LYS 53 OK 100 100 100 100 4.3-5.6 3.9/2451=92, 5.9=89...(22) H VAL 54 + HD3 LYS 53 OK 88 88 100 100 3.1-5.3 4.4/2451=87, 3.6/2389=82...(16) H ARG 79 - HD3 LYS 53 poor 14 73 50 37 5.8-8.6 3.6/9689=23, 2437/1.8=9...(4) Violated in 0 structures by 0.00 A. Peak 2449 from cnoeabs.peaks (5.04, 1.55, 29.44 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HD3 LYS 53 OK 100 100 100 100 1.9-3.9 5.3=100 Violated in 0 structures by 0.00 A. Peak 2450 from cnoeabs.peaks (1.84, 1.55, 29.44 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 3.3-4.1 3.6=100 HB2 GLU 104 - HD3 LYS 53 far 0 73 0 - 9.2-15.2 Violated in 0 structures by 0.00 A. Peak 2451 from cnoeabs.peaks (1.69, 1.55, 29.44 ppm; 3.20 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.1-3.4 3.6=67, 2440/1.8=48...(44) HB3 ARG 79 - HD3 LYS 53 far 8 75 10 - 4.4-9.6 HB ILE 52 - HD3 LYS 53 far 0 96 0 - 6.1-8.7 HB2 LEU 2 - HD3 LYS 53 far 0 96 0 - 6.3-10.8 Violated in 3 structures by 0.02 A. Peak 2452 from cnoeabs.peaks (1.46, 1.55, 29.44 ppm; 2.44 A): 3 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 * HG2 LYS 53 + HD3 LYS 53 OK 96 100 100 96 2.2-3.0 3.0=56, 1.8/2433=31...(50) HG3 LYS 53 + HD3 LYS 53 OK 96 100 100 96 2.2-3.0 3.0=56, 1.8/2433=31...(51) HG13 ILE 52 - HD3 LYS 53 far 0 100 0 - 4.7-9.1 HG13 ILE 76 - HD3 LYS 53 far 0 82 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 2453 from cnoeabs.peaks (1.47, 1.55, 29.44 ppm; 2.44 A): 3 out of 5 assignments used, quality = 1.00: HD2 LYS 53 + HD3 LYS 53 OK 99 99 100 100 1.8-1.8 1.8=100 * HG3 LYS 53 + HD3 LYS 53 OK 96 100 100 96 2.2-3.0 3.0=56, 1.8/2433=31...(51) HG2 LYS 53 + HD3 LYS 53 OK 96 100 100 96 2.2-3.0 3.0=56, 1.8/2433=31...(50) HG13 ILE 52 - HD3 LYS 53 far 0 99 0 - 4.7-9.1 HG13 ILE 76 - HD3 LYS 53 far 0 73 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 2454 from cnoeabs.peaks (1.46, 1.55, 29.44 ppm; 2.44 A): 3 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 HG2 LYS 53 + HD3 LYS 53 OK 96 100 100 96 2.2-3.0 3.0=56, 1.8/2433=31...(50) HG3 LYS 53 + HD3 LYS 53 OK 95 99 100 96 2.2-3.0 3.0=56, 1.8/2433=31...(51) HG13 ILE 52 - HD3 LYS 53 far 0 100 0 - 4.7-9.1 HG13 ILE 76 - HD3 LYS 53 far 0 88 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 2455 from cnoeabs.peaks (1.55, 1.55, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 Peak 2456 from cnoeabs.peaks (2.83, 1.55, 29.44 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HE3 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2457 from cnoeabs.peaks (2.83, 1.55, 29.44 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 53 + HD3 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2458 from cnoeabs.peaks (8.49, 1.55, 29.44 ppm; 5.38 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 54 + HD3 LYS 53 OK 100 100 100 100 3.1-5.3 6887/3.6=89...(16) H LYS 53 + HD3 LYS 53 OK 88 88 100 100 4.3-5.6 3.9/2451=89, 3.0/2389=84...(21) H ARG 79 - HD3 LYS 53 poor 15 99 40 38 5.8-8.6 7284/9689=23...(4) H LEU 2 - HD3 LYS 53 poor 14 93 25 58 5.3-9.5 43/8027=27, 4.6/12115=12...(10) Violated in 0 structures by 0.00 A. Peak 2459 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 5.70 A): 4 out of 7 assignments used, quality = 1.00: * H LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.9-6.4 ~2389=55, ~2438=52...(21) H LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.8-7.0 ~2389=55, ~2438=52...(21) H VAL 54 + HE2 LYS 53 OK 87 88 100 99 5.2-6.2 6887/5.0=64, 6886/6.0=56...(12) H VAL 54 + HE3 LYS 53 OK 87 88 100 99 4.6-6.4 6887/5.0=64, 6886/6.0=56...(12) H ARG 79 - HE3 LYS 53 far 4 73 5 - 6.4-9.9 H ARG 79 - HE2 LYS 53 far 0 73 0 - 7.6-9.8 H ALA 67 - HE3 LYS 82 far 0 45 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 2460 from cnoeabs.peaks (5.04, 2.83, 41.80 ppm; 5.93 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.2-5.2 6.0=98, 2389/3.0=93...(42) HA LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.7-5.3 6.0=98, 2389/3.0=93...(42) HA SER 59 + HE3 LYS 82 OK 36 41 90 97 4.5-7.5 10727/3.9=73...(4) Violated in 0 structures by 0.00 A. Peak 2461 from cnoeabs.peaks (1.84, 2.83, 41.80 ppm; 4.04 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.4-5.1 5.0=51, ~2451=46...(46) HB2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.9-5.3 5.0=51, ~2451=46...(47) HB3 LYS 90 + HE2 LYS 90 OK 83 83 100 100 3.3-4.4 4.8=58, ~4005=44...(39) HB2 LYS 90 + HE2 LYS 90 OK 60 60 100 100 2.9-4.2 4.8=58, ~4005=44...(46) HB2 GLU 88 - HE3 LYS 82 far 0 29 0 - 7.1-11.7 HB ILE 93 - HE2 LYS 90 far 0 46 0 - 7.4-8.4 HB3 LYS 68 - HE3 LYS 82 far 0 31 0 - 7.6-12.2 HB2 LYS 68 - HE3 LYS 82 far 0 48 0 - 8.0-13.1 HB2 GLU 104 - HE3 LYS 53 far 0 73 0 - 9.0-17.2 HB3 LYS 66 - HE3 LYS 82 far 0 40 0 - 9.0-12.7 HB2 GLU 88 - HE2 LYS 90 far 0 56 0 - 9.1-10.7 HB3 GLU 104 - HE3 LYS 82 far 0 32 0 - 9.8-18.5 HB2 GLU 104 - HE3 LYS 82 far 0 29 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 2462 from cnoeabs.peaks (1.69, 2.83, 41.80 ppm; 3.85 A): 3 out of 20 assignments used, quality = 1.00: * HB3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.4-4.6 2451/3.0=70, 2440/3.0=47...(44) HB3 LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.2-4.6 2451/3.0=70, 2440/3.0=47...(46) HD3 LYS 90 + HE2 LYS 90 OK 81 81 100 100 2.2-3.0 3.0=100 HG3 LYS 20 - HE2 LYS 90 far 12 81 15 - 5.1-9.6 HG2 PRO 86 - HE2 LYS 90 far 4 83 5 - 5.0-6.6 HD3 LYS 20 - HE2 LYS 90 far 4 81 5 - 5.0-9.2 HB3 ARG 79 - HE3 LYS 53 far 0 75 0 - 5.4-10.7 HB2 LEU 2 - HE3 LYS 53 far 0 95 0 - 5.4-11.9 HB ILE 52 - HE2 LYS 53 far 0 96 0 - 5.5-9.1 HB ILE 52 - HE3 LYS 53 far 0 96 0 - 5.5-10.1 HB2 LEU 2 - HE2 LYS 53 far 0 96 0 - 5.8-10.5 HD2 LYS 20 - HE2 LYS 90 far 0 83 0 - 5.8-8.5 HB3 ARG 91 - HE2 LYS 90 far 0 85 0 - 6.0-8.8 HD3 LYS 13 - HE2 LYS 90 far 0 76 0 - 6.6-13.3 HB3 ARG 79 - HE2 LYS 53 far 0 75 0 - 6.7-10.5 HD2 LYS 13 - HE2 LYS 90 far 0 78 0 - 7.0-12.6 HD3 LYS 68 - HE3 LYS 82 far 0 27 0 - 7.0-12.8 HD2 LYS 68 - HE3 LYS 82 far 0 28 0 - 8.2-13.8 HD3 LYS 24 - HE2 LYS 90 far 0 81 0 - 8.5-13.3 HD2 LYS 24 - HE2 LYS 90 far 0 82 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2463 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.79 A): 7 out of 23 assignments used, quality = 1.00: HG2 LYS 53 + HE3 LYS 53 OK 96 100 100 96 1.9-4.1 3.9=36, 2433/3.0=25...(42) * HG2 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.4-3.4 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.0-4.0 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE3 LYS 53 OK 96 100 100 96 2.3-3.5 3.9=36, 2433/3.0=25...(42) HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 82 + HE3 LYS 82 OK 43 48 100 89 2.3-3.0 3.0=81, 3.5/3668=19...(5) HB3 LEU 64 - HE3 LYS 82 poor 9 34 25 - 3.8-6.9 HG3 ARG 91 - HE2 LYS 90 far 4 81 5 - 3.4-6.4 HG LEU 64 - HE3 LYS 82 far 0 42 0 - 4.6-8.5 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 5.2-9.0 HG2 LYS 20 - HE2 LYS 90 far 0 84 0 - 5.6-9.2 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 5.6-10.2 HB2 ARG 91 - HE2 LYS 90 far 0 69 0 - 5.8-8.2 QB ALA 22 - HE2 LYS 90 far 0 62 0 - 8.5-10.2 HG2 LYS 13 - HE2 LYS 90 far 0 54 0 - 8.8-11.8 HG2 LYS 66 - HE3 LYS 82 far 0 33 0 - 9.2-13.6 HG LEU 57 - HE2 LYS 90 far 0 46 0 - 9.3-11.1 HG3 LYS 13 - HE2 LYS 90 far 0 52 0 - 9.3-11.3 HG13 ILE 76 - HE2 LYS 53 far 0 82 0 - 9.3-13.2 HG LEU 29 - HE2 LYS 90 far 0 62 0 - 9.5-13.3 HG12 ILE 7 - HE2 LYS 90 far 0 44 0 - 9.6-12.4 HG3 LYS 66 - HE3 LYS 82 far 0 31 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2464 from cnoeabs.peaks (1.47, 2.83, 41.80 ppm; 2.79 A): 7 out of 22 assignments used, quality = 1.00: HG3 LYS 53 + HE3 LYS 53 OK 96 100 100 96 2.3-3.5 3.9=36, 2433/3.0=25...(42) * HG3 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.0-4.0 3.9=36, 2433/3.0=25...(42) HG2 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.4-3.4 3.9=36, 2433/3.0=25...(42) HG2 LYS 53 + HE3 LYS 53 OK 96 100 100 96 1.9-4.1 3.9=36, 2433/3.0=25...(42) HD2 LYS 53 + HE2 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 2440/5.0=10...(20) HD2 LYS 53 + HE3 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 2440/5.0=10...(20) HD2 LYS 82 + HE3 LYS 82 OK 41 47 100 89 2.3-3.0 3.0=81, 3.5/3668=19...(5) HB3 LEU 64 - HE3 LYS 82 poor 10 38 25 - 3.8-6.9 HG3 ARG 91 - HE2 LYS 90 far 4 77 5 - 3.4-6.4 HG LEU 64 - HE3 LYS 82 far 0 45 0 - 4.6-8.5 HG13 ILE 52 - HE2 LYS 53 far 0 99 0 - 5.2-9.0 HG2 LYS 20 - HE2 LYS 90 far 0 81 0 - 5.6-9.2 HG13 ILE 52 - HE3 LYS 53 far 0 98 0 - 5.6-10.2 HB2 ARG 91 - HE2 LYS 90 far 0 75 0 - 5.8-8.2 QB ALA 22 - HE2 LYS 90 far 0 54 0 - 8.5-10.2 HG2 LYS 13 - HE2 LYS 90 far 0 46 0 - 8.8-11.8 HG2 LYS 66 - HE3 LYS 82 far 0 38 0 - 9.2-13.6 HG LEU 57 - HE2 LYS 90 far 0 54 0 - 9.3-11.1 HG3 LYS 13 - HE2 LYS 90 far 0 60 0 - 9.3-11.3 HG13 ILE 76 - HE2 LYS 53 far 0 73 0 - 9.3-13.2 HG LEU 29 - HE2 LYS 90 far 0 54 0 - 9.5-13.3 HG3 LYS 66 - HE3 LYS 82 far 0 36 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2465 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.79 A): 7 out of 22 assignments used, quality = 1.00: HG2 LYS 53 + HE3 LYS 53 OK 96 100 100 96 1.9-4.1 3.9=36, 2433/3.0=25...(42) HG2 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.4-3.4 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE2 LYS 53 OK 95 99 100 96 2.0-4.0 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE3 LYS 53 OK 95 99 100 96 2.3-3.5 3.9=36, 2433/3.0=25...(42) * HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 82 + HE3 LYS 82 OK 43 49 100 89 2.3-3.0 3.0=81, 3.5/3668=19...(5) HB3 LEU 64 - HE3 LYS 82 poor 8 30 25 - 3.8-6.9 HG3 ARG 91 - HE2 LYS 90 far 4 83 5 - 3.4-6.4 HG LEU 64 - HE3 LYS 82 far 0 39 0 - 4.6-8.5 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 5.2-9.0 HG2 LYS 20 - HE2 LYS 90 far 0 85 0 - 5.6-9.2 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 5.6-10.2 HB2 ARG 91 - HE2 LYS 90 far 0 63 0 - 5.8-8.2 QB ALA 22 - HE2 LYS 90 far 0 68 0 - 8.5-10.2 HG2 LYS 13 - HE2 LYS 90 far 0 60 0 - 8.8-11.8 HG2 LYS 66 - HE3 LYS 82 far 0 29 0 - 9.2-13.6 HG3 LYS 13 - HE2 LYS 90 far 0 46 0 - 9.3-11.3 HG13 ILE 76 - HE2 LYS 53 far 0 88 0 - 9.3-13.2 HG LEU 29 - HE2 LYS 90 far 0 68 0 - 9.5-13.3 HG12 ILE 7 - HE2 LYS 90 far 0 51 0 - 9.6-12.4 HG3 LYS 66 - HE3 LYS 82 far 0 27 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2466 from cnoeabs.peaks (1.55, 2.83, 41.80 ppm; 3.21 A): 4 out of 22 assignments used, quality = 1.00: * HD3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 90 + HE2 LYS 90 OK 52 56 100 93 2.0-3.8 3.8=61, ~4005=37...(26) HD3 LYS 82 + HE3 LYS 82 OK 44 44 100 100 2.6-3.0 3.0=100 HG2 ARG 79 - HE3 LYS 53 far 5 94 5 - 4.4-11.8 HB2 LEU 103 - HE3 LYS 53 far 0 71 0 - 4.9-13.3 HG3 ARG 79 - HE3 LYS 53 far 0 94 0 - 5.2-11.7 HB2 LEU 103 - HE2 LYS 53 far 0 71 0 - 5.3-13.8 HG LEU 2 - HE3 LYS 53 far 0 63 0 - 5.7-11.7 HG2 ARG 79 - HE2 LYS 53 far 0 94 0 - 5.8-11.0 HB2 LEU 3 - HE2 LYS 53 far 0 100 0 - 6.0-9.5 HB3 LEU 103 - HE3 LYS 53 far 0 78 0 - 6.4-14.5 HB2 LEU 3 - HE3 LYS 53 far 0 100 0 - 6.5-9.3 HG3 ARG 79 - HE2 LYS 53 far 0 95 0 - 6.6-10.7 HB2 LEU 14 - HE2 LYS 90 far 0 59 0 - 6.6-9.3 HG LEU 2 - HE2 LYS 53 far 0 63 0 - 6.7-10.6 HB3 LEU 103 - HE2 LYS 53 far 0 79 0 - 6.9-14.5 HG LEU 103 - HE3 LYS 53 far 0 77 0 - 7.2-13.7 HG LEU 103 - HE2 LYS 53 far 0 77 0 - 7.4-13.4 HG2 ARG 19 - HE2 LYS 90 far 0 54 0 - 8.2-13.1 HG2 LYS 24 - HE2 LYS 90 far 0 52 0 - 8.2-12.7 HG12 ILE 56 - HE3 LYS 53 far 0 90 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 2467 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 HE3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 HE2 LYS 90 + HE2 LYS 90 OK 74 74 - 100 HE3 LYS 82 + HE3 LYS 82 OK 36 36 - 100 Peak 2468 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 HE3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 HE2 LYS 90 + HE2 LYS 90 OK 70 70 - 100 HE3 LYS 82 + HE3 LYS 82 OK 38 38 - 100 Reference assignment not found: HE3 LYS 53 - HE2 LYS 53 Peak 2469 from cnoeabs.peaks (8.49, 2.83, 41.80 ppm; 5.12 A): 4 out of 9 assignments used, quality = 1.00: * H VAL 54 + HE2 LYS 53 OK 99 100 100 99 5.2-6.2 6887/5.0=64, 6886/6.0=54...(12) H VAL 54 + HE3 LYS 53 OK 98 100 100 99 4.6-6.4 6887/5.0=64, 6886/6.0=54...(12) H LYS 53 + HE2 LYS 53 OK 88 88 100 100 3.9-6.4 ~2389=44, ~2438=42...(21) H LYS 53 + HE3 LYS 53 OK 61 88 70 100 3.8-7.0 ~2389=44, ~2438=42...(21) H LEU 2 - HE2 LYS 53 poor 9 93 25 39 5.1-8.6 43/8029=17, 6007/12236=6...(8) H LEU 2 - HE3 LYS 53 poor 9 93 25 38 4.5-10.3 43/8029=17, 8078/9198=6...(8) H ARG 79 - HE3 LYS 53 far 5 99 5 - 6.4-9.9 H ARG 79 - HE2 LYS 53 far 0 99 0 - 7.6-9.8 H ALA 67 - HE3 LYS 82 far 0 46 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 2470 from cnoeabs.peaks (8.47, 2.83, 41.80 ppm; 5.70 A): 4 out of 7 assignments used, quality = 1.00: * H LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.8-7.0 ~2389=55, ~2438=52...(21) H LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.9-6.4 ~2389=55, ~2438=52...(21) H VAL 54 + HE3 LYS 53 OK 87 88 100 99 4.6-6.4 6887/5.0=64, 6886/6.0=56...(12) H VAL 54 + HE2 LYS 53 OK 87 88 100 99 5.2-6.2 6887/5.0=64, 6886/6.0=56...(12) H ARG 79 - HE3 LYS 53 far 4 73 5 - 6.4-9.9 H ARG 79 - HE2 LYS 53 far 0 73 0 - 7.6-9.8 H ALA 67 - HE3 LYS 82 far 0 51 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 2471 from cnoeabs.peaks (5.04, 2.83, 41.80 ppm; 5.93 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.7-5.3 6.0=98, 2389/3.0=93...(42) HA LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.2-5.2 6.0=98, 2389/3.0=93...(42) HA SER 59 + HE3 LYS 82 OK 40 46 90 97 4.5-7.5 10727/3.9=73...(4) Violated in 0 structures by 0.00 A. Peak 2472 from cnoeabs.peaks (1.84, 2.83, 41.80 ppm; 4.04 A): 4 out of 13 assignments used, quality = 1.00: * HB2 LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.9-5.3 5.0=51, ~2451=46...(47) HB2 LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.4-5.1 5.0=51, ~2451=46...(46) HB3 LYS 90 + HE2 LYS 90 OK 77 77 100 100 3.3-4.4 4.8=58, ~4005=44...(39) HB2 LYS 90 + HE2 LYS 90 OK 55 55 100 100 2.9-4.2 4.8=58, ~4005=44...(46) HB2 GLU 88 - HE3 LYS 82 far 0 33 0 - 7.1-11.7 HB ILE 93 - HE2 LYS 90 far 0 41 0 - 7.4-8.4 HB3 LYS 68 - HE3 LYS 82 far 0 35 0 - 7.6-12.2 HB2 LYS 68 - HE3 LYS 82 far 0 54 0 - 8.0-13.1 HB2 GLU 104 - HE3 LYS 53 far 0 73 0 - 9.0-17.2 HB3 LYS 66 - HE3 LYS 82 far 0 45 0 - 9.0-12.7 HB2 GLU 88 - HE2 LYS 90 far 0 50 0 - 9.1-10.7 HB3 GLU 104 - HE3 LYS 82 far 0 36 0 - 9.8-18.5 HB2 GLU 104 - HE3 LYS 82 far 0 33 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 2473 from cnoeabs.peaks (1.69, 2.83, 41.80 ppm; 3.85 A): 3 out of 20 assignments used, quality = 1.00: * HB3 LYS 53 + HE3 LYS 53 OK 100 100 100 100 3.2-4.6 2451/3.0=70, 2440/3.0=47...(45) HB3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 3.4-4.6 2451/3.0=70, 2440/3.0=47...(44) HD3 LYS 90 + HE2 LYS 90 OK 75 75 100 100 2.2-3.0 3.0=100 HG3 LYS 20 - HE2 LYS 90 far 11 75 15 - 5.1-9.6 HG2 PRO 86 - HE2 LYS 90 far 4 77 5 - 5.0-6.6 HD3 LYS 20 - HE2 LYS 90 far 4 75 5 - 5.0-9.2 HB3 ARG 79 - HE3 LYS 53 far 0 75 0 - 5.4-10.7 HB2 LEU 2 - HE3 LYS 53 far 0 96 0 - 5.4-11.9 HB ILE 52 - HE2 LYS 53 far 0 96 0 - 5.5-9.1 HB ILE 52 - HE3 LYS 53 far 0 96 0 - 5.5-10.1 HB2 LEU 2 - HE2 LYS 53 far 0 95 0 - 5.8-10.5 HD2 LYS 20 - HE2 LYS 90 far 0 76 0 - 5.8-8.5 HB3 ARG 91 - HE2 LYS 90 far 0 78 0 - 6.0-8.8 HD3 LYS 13 - HE2 LYS 90 far 0 70 0 - 6.6-13.3 HB3 ARG 79 - HE2 LYS 53 far 0 75 0 - 6.7-10.5 HD2 LYS 13 - HE2 LYS 90 far 0 72 0 - 7.0-12.6 HD3 LYS 68 - HE3 LYS 82 far 0 31 0 - 7.0-12.8 HD2 LYS 68 - HE3 LYS 82 far 0 32 0 - 8.2-13.8 HD3 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.5-13.3 HD2 LYS 24 - HE2 LYS 90 far 0 75 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2474 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.79 A): 7 out of 23 assignments used, quality = 1.00: * HG2 LYS 53 + HE3 LYS 53 OK 96 100 100 96 1.9-4.1 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE3 LYS 53 OK 96 100 100 96 2.3-3.5 3.9=36, 2433/3.0=25...(42) HG2 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.4-3.4 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.0-4.0 3.9=36, 2433/3.0=25...(42) HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 82 + HE3 LYS 82 OK 48 54 100 89 2.3-3.0 3.0=81, 3.5/3668=20...(6) HB3 LEU 64 - HE3 LYS 82 poor 10 39 25 - 3.8-6.9 HG3 ARG 91 - HE2 LYS 90 far 4 75 5 - 3.4-6.4 HG LEU 64 - HE3 LYS 82 far 0 48 0 - 4.6-8.5 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 5.2-9.0 HG2 LYS 20 - HE2 LYS 90 far 0 77 0 - 5.6-9.2 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 5.6-10.2 HB2 ARG 91 - HE2 LYS 90 far 0 63 0 - 5.8-8.2 QB ALA 22 - HE2 LYS 90 far 0 56 0 - 8.5-10.2 HG2 LYS 13 - HE2 LYS 90 far 0 49 0 - 8.8-11.8 HG2 LYS 66 - HE3 LYS 82 far 0 38 0 - 9.2-13.6 HG LEU 57 - HE2 LYS 90 far 0 41 0 - 9.3-11.1 HG3 LYS 13 - HE2 LYS 90 far 0 47 0 - 9.3-11.3 HG13 ILE 76 - HE2 LYS 53 far 0 82 0 - 9.3-13.2 HG LEU 29 - HE2 LYS 90 far 0 56 0 - 9.5-13.3 HG12 ILE 7 - HE2 LYS 90 far 0 40 0 - 9.6-12.4 HG3 LYS 66 - HE3 LYS 82 far 0 35 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2475 from cnoeabs.peaks (1.47, 2.83, 41.80 ppm; 2.79 A): 7 out of 22 assignments used, quality = 1.00: * HG3 LYS 53 + HE3 LYS 53 OK 96 100 100 96 2.3-3.5 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.0-4.0 3.9=36, 2433/3.0=25...(42) HG2 LYS 53 + HE3 LYS 53 OK 96 100 100 96 1.9-4.1 3.9=36, 2433/3.0=25...(42) HG2 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.4-3.4 3.9=36, 2433/3.0=25...(42) HD2 LYS 53 + HE3 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 2440/5.0=10...(20) HD2 LYS 53 + HE2 LYS 53 OK 94 99 100 95 2.2-3.0 3.0=84, 2440/5.0=10...(20) HD2 LYS 82 + HE3 LYS 82 OK 47 53 100 89 2.3-3.0 3.0=81, 3.5/3668=20...(6) HB3 LEU 64 - HE3 LYS 82 poor 11 43 25 - 3.8-6.9 HG3 ARG 91 - HE2 LYS 90 far 4 71 5 - 3.4-6.4 HG LEU 64 - HE3 LYS 82 far 0 51 0 - 4.6-8.5 HG13 ILE 52 - HE2 LYS 53 far 0 98 0 - 5.2-9.0 HG2 LYS 20 - HE2 LYS 90 far 0 75 0 - 5.6-9.2 HG13 ILE 52 - HE3 LYS 53 far 0 99 0 - 5.6-10.2 HB2 ARG 91 - HE2 LYS 90 far 0 69 0 - 5.8-8.2 QB ALA 22 - HE2 LYS 90 far 0 49 0 - 8.5-10.2 HG2 LYS 13 - HE2 LYS 90 far 0 41 0 - 8.8-11.8 HG2 LYS 66 - HE3 LYS 82 far 0 43 0 - 9.2-13.6 HG LEU 57 - HE2 LYS 90 far 0 49 0 - 9.3-11.1 HG3 LYS 13 - HE2 LYS 90 far 0 55 0 - 9.3-11.3 HG13 ILE 76 - HE2 LYS 53 far 0 73 0 - 9.3-13.2 HG LEU 29 - HE2 LYS 90 far 0 49 0 - 9.5-13.3 HG3 LYS 66 - HE3 LYS 82 far 0 41 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2476 from cnoeabs.peaks (1.46, 2.83, 41.80 ppm; 2.79 A): 7 out of 22 assignments used, quality = 1.00: HG2 LYS 53 + HE3 LYS 53 OK 96 100 100 96 1.9-4.1 3.9=36, 2433/3.0=25...(42) HG2 LYS 53 + HE2 LYS 53 OK 96 100 100 96 2.4-3.4 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE3 LYS 53 OK 95 99 100 96 2.3-3.5 3.9=36, 2433/3.0=25...(42) HG3 LYS 53 + HE2 LYS 53 OK 95 99 100 96 2.0-4.0 3.9=36, 2433/3.0=25...(42) * HD2 LYS 53 + HE3 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 53 + HE2 LYS 53 OK 95 100 100 95 2.2-3.0 3.0=84, 2440/5.0=11...(20) HD2 LYS 82 + HE3 LYS 82 OK 49 55 100 89 2.3-3.0 3.0=81, 3.5/3668=20...(5) HB3 LEU 64 - HE3 LYS 82 poor 9 34 25 - 3.8-6.9 HG3 ARG 91 - HE2 LYS 90 far 4 77 5 - 3.4-6.4 HG LEU 64 - HE3 LYS 82 far 0 44 0 - 4.6-8.5 HG13 ILE 52 - HE2 LYS 53 far 0 100 0 - 5.2-9.0 HG2 LYS 20 - HE2 LYS 90 far 0 78 0 - 5.6-9.2 HG13 ILE 52 - HE3 LYS 53 far 0 100 0 - 5.6-10.2 HB2 ARG 91 - HE2 LYS 90 far 0 58 0 - 5.8-8.2 QB ALA 22 - HE2 LYS 90 far 0 62 0 - 8.5-10.2 HG2 LYS 13 - HE2 LYS 90 far 0 55 0 - 8.8-11.8 HG2 LYS 66 - HE3 LYS 82 far 0 33 0 - 9.2-13.6 HG3 LYS 13 - HE2 LYS 90 far 0 41 0 - 9.3-11.3 HG13 ILE 76 - HE2 LYS 53 far 0 88 0 - 9.3-13.2 HG LEU 29 - HE2 LYS 90 far 0 62 0 - 9.5-13.3 HG12 ILE 7 - HE2 LYS 90 far 0 46 0 - 9.6-12.4 HG3 LYS 66 - HE3 LYS 82 far 0 31 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 2477 from cnoeabs.peaks (1.55, 2.83, 41.80 ppm; 3.21 A): 4 out of 22 assignments used, quality = 1.00: * HD3 LYS 53 + HE3 LYS 53 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 53 + HE2 LYS 53 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 82 + HE3 LYS 82 OK 50 50 100 100 2.6-3.0 3.0=100 HG3 LYS 90 + HE2 LYS 90 OK 47 50 100 93 2.0-3.8 3.8=61, ~4005=37...(25) HG2 ARG 79 - HE3 LYS 53 far 5 94 5 - 4.4-11.8 HB2 LEU 103 - HE3 LYS 53 far 0 71 0 - 4.9-13.3 HG3 ARG 79 - HE3 LYS 53 far 0 95 0 - 5.2-11.7 HB2 LEU 103 - HE2 LYS 53 far 0 71 0 - 5.3-13.8 HG LEU 2 - HE3 LYS 53 far 0 63 0 - 5.7-11.7 HG2 ARG 79 - HE2 LYS 53 far 0 94 0 - 5.8-11.0 HB2 LEU 3 - HE2 LYS 53 far 0 100 0 - 6.0-9.5 HB3 LEU 103 - HE3 LYS 53 far 0 79 0 - 6.4-14.5 HB2 LEU 3 - HE3 LYS 53 far 0 100 0 - 6.5-9.3 HG3 ARG 79 - HE2 LYS 53 far 0 94 0 - 6.6-10.7 HB2 LEU 14 - HE2 LYS 90 far 0 53 0 - 6.6-9.3 HG LEU 2 - HE2 LYS 53 far 0 63 0 - 6.7-10.6 HB3 LEU 103 - HE2 LYS 53 far 0 78 0 - 6.9-14.5 HG LEU 103 - HE3 LYS 53 far 0 77 0 - 7.2-13.7 HG LEU 103 - HE2 LYS 53 far 0 77 0 - 7.4-13.4 HG2 ARG 19 - HE2 LYS 90 far 0 49 0 - 8.2-13.1 HG2 LYS 24 - HE2 LYS 90 far 0 47 0 - 8.2-12.7 HG12 ILE 56 - HE3 LYS 53 far 0 91 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 2478 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 HE2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 HE2 LYS 90 + HE2 LYS 90 OK 68 68 - 100 HE3 LYS 82 + HE3 LYS 82 OK 41 41 - 100 Reference assignment not found: HE2 LYS 53 - HE3 LYS 53 Peak 2479 from cnoeabs.peaks (2.83, 2.83, 41.80 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 HE2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 HE2 LYS 90 + HE2 LYS 90 OK 64 64 - 100 HE3 LYS 82 + HE3 LYS 82 OK 43 43 - 100 Peak 2480 from cnoeabs.peaks (8.49, 2.83, 41.80 ppm; 5.12 A): 4 out of 9 assignments used, quality = 1.00: * H VAL 54 + HE3 LYS 53 OK 99 100 100 99 4.6-6.4 6887/5.0=64, 6886/6.0=54...(12) H VAL 54 + HE2 LYS 53 OK 98 100 100 99 5.2-6.2 6887/5.0=64, 6886/6.0=54...(11) H LYS 53 + HE2 LYS 53 OK 87 88 100 100 3.9-6.4 ~2389=44, ~2438=42...(21) H LYS 53 + HE3 LYS 53 OK 62 88 70 100 3.8-7.0 ~2389=44, ~2438=42...(21) H LEU 2 - HE2 LYS 53 poor 9 93 25 38 5.1-8.6 43/8029=17, 8078/9198=6...(8) H LEU 2 - HE3 LYS 53 poor 9 93 25 37 4.5-10.3 43/8029=17, 8078/9198=6...(8) H ARG 79 - HE3 LYS 53 far 5 99 5 - 6.4-9.9 H ARG 79 - HE2 LYS 53 far 0 99 0 - 7.6-9.8 H ALA 67 - HE3 LYS 82 far 0 52 0 - 9.0-12.3 Violated in 0 structures by 0.00 A. Peak 2481 from cnoeabs.peaks (8.49, 5.16, 60.16 ppm; 4.72 A): 3 out of 6 assignments used, quality = 1.00: * H VAL 54 + HA VAL 54 OK 100 100 100 100 2.9-2.9 3.0=100 H ARG 79 + HA VAL 54 OK 89 99 100 90 4.8-5.6 2487/3.0=39...(10) H LYS 53 + HA VAL 54 OK 88 88 100 99 4.8-5.1 3.9/10651=50, ~6886=46...(20) H LEU 29 - HA VAL 54 far 0 59 0 - 8.2-9.2 H LEU 2 - HA VAL 54 far 0 93 0 - 8.3-10.3 H ILE 7 - HA VAL 54 far 0 73 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 2482 from cnoeabs.peaks (5.16, 5.16, 60.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 54 + HA VAL 54 OK 100 100 - 100 Peak 2483 from cnoeabs.peaks (1.89, 5.16, 60.16 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HB VAL 54 + HA VAL 54 OK 100 100 100 100 2.9-3.0 3.0=100 HB VAL 5 - HA VAL 54 poor 20 87 30 75 5.6-6.7 6903/6902=32, ~12127=17...(10) HG LEU 42 - HA VAL 54 far 0 99 0 - 7.2-10.4 Violated in 0 structures by 0.00 A. Peak 2484 from cnoeabs.peaks (0.65, 5.16, 60.16 ppm; 3.86 A): 3 out of 7 assignments used, quality = 1.00: * QG2 VAL 54 + HA VAL 54 OK 100 100 100 100 2.4-2.8 3.2=100 QD2 LEU 6 + HA VAL 54 OK 46 73 80 78 4.4-5.6 6904/6902=21, ~10209=16...(16) QD1 ILE 52 + HA VAL 54 OK 23 57 50 81 4.4-6.5 ~9240=29, ~2365=12...(29) QD2 LEU 29 - HA VAL 54 far 0 98 0 - 6.2-9.5 QD1 LEU 29 - HA VAL 54 far 0 100 0 - 6.6-9.4 QD1 LEU 42 - HA VAL 54 far 0 70 0 - 6.9-8.7 QD1 ILE 7 - HA VAL 54 far 0 70 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 2485 from cnoeabs.peaks (0.76, 5.16, 60.16 ppm; 3.49 A): 3 out of 14 assignments used, quality = 1.00: * QG1 VAL 54 + HA VAL 54 OK 100 100 100 100 2.0-2.4 3.2=100 QG1 VAL 78 + HA VAL 54 OK 60 96 65 97 4.6-5.2 6898/3.0=26, ~11104=24...(29) QD2 LEU 42 + HA VAL 54 OK 21 100 35 59 4.5-6.8 1947/3.0=22, 2497/3.2=13...(14) QD1 LEU 6 - HA VAL 54 far 5 99 5 - 5.0-7.9 QG1 VAL 5 - HA VAL 54 far 3 68 5 - 5.0-6.0 QG2 ILE 52 - HA VAL 54 far 0 95 0 - 5.1-7.4 QD2 LEU 27 - HA VAL 54 far 0 73 0 - 5.5-6.7 QD1 LEU 27 - HA VAL 54 far 0 100 0 - 5.5-6.6 QD2 LEU 57 - HA VAL 54 far 0 70 0 - 6.0-7.1 QG2 ILE 93 - HA VAL 54 far 0 99 0 - 6.6-8.3 QD1 ILE 76 - HA VAL 54 far 0 59 0 - 6.9-7.7 QD1 ILE 93 - HA VAL 54 far 0 99 0 - 7.6-9.3 HG13 ILE 93 - HA VAL 54 far 0 94 0 - 8.5-9.6 HG3 ARG 81 - HA VAL 54 far 0 90 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 2486 from cnoeabs.peaks (8.64, 5.16, 60.16 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HA VAL 54 OK 100 100 100 100 2.1-2.3 6902=100, 2504/3.2=45...(20) Violated in 0 structures by 0.00 A. Peak 2487 from cnoeabs.peaks (8.49, 1.89, 35.51 ppm; 3.77 A): 2 out of 5 assignments used, quality = 1.00: * H VAL 54 + HB VAL 54 OK 100 100 100 100 2.8-3.4 6896=100, 6897/2.1=75...(16) H ARG 79 + HB VAL 54 OK 93 99 100 94 3.3-4.5 7284/10348=57...(12) H LYS 53 - HB VAL 54 far 0 88 0 - 5.9-6.5 H ILE 7 - HB VAL 54 far 0 73 0 - 8.4-10.6 H LEU 2 - HB VAL 54 far 0 93 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 2488 from cnoeabs.peaks (5.16, 1.89, 35.51 ppm; 3.93 A): 2 out of 5 assignments used, quality = 1.00: * HA VAL 54 + HB VAL 54 OK 100 100 100 100 2.9-3.0 3.0=100 HA VAL 78 + HB VAL 54 OK 71 71 100 99 1.9-3.3 10348=63, 3.0/11104=53...(21) HA LEU 3 - HB VAL 54 far 0 75 0 - 6.4-7.3 HA TYR 4 - HB VAL 54 far 0 96 0 - 6.6-7.1 HA ILE 7 - HB VAL 54 far 0 81 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 2489 from cnoeabs.peaks (1.89, 1.89, 35.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 54 + HB VAL 54 OK 100 100 - 100 Peak 2490 from cnoeabs.peaks (0.65, 1.89, 35.51 ppm; 3.45 A): 1 out of 7 assignments used, quality = 1.00: * QG2 VAL 54 + HB VAL 54 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 42 - HB VAL 54 poor 14 70 20 - 4.8-6.5 QD2 LEU 6 - HB VAL 54 far 7 73 10 - 4.6-6.3 QD1 ILE 52 - HB VAL 54 far 3 57 5 - 4.3-6.2 QD2 LEU 29 - HB VAL 54 far 0 98 0 - 7.3-10.9 QD1 LEU 29 - HB VAL 54 far 0 100 0 - 7.7-10.9 QD1 ILE 7 - HB VAL 54 far 0 70 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2491 from cnoeabs.peaks (0.76, 1.89, 35.51 ppm; 2.99 A): 3 out of 13 assignments used, quality = 1.00: * QG1 VAL 54 + HB VAL 54 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 78 + HB VAL 54 OK 91 96 100 95 2.1-2.9 3.2/10348=35...(21) QD2 LEU 42 + HB VAL 54 OK 61 100 85 72 2.5-4.8 1947=34, 2497/2.1=14...(17) QD1 LEU 6 - HB VAL 54 far 10 99 10 - 3.3-8.0 QG2 ILE 52 - HB VAL 54 far 5 95 5 - 4.3-7.9 QD1 ILE 76 - HB VAL 54 far 0 59 0 - 4.8-5.8 QG1 VAL 5 - HB VAL 54 far 0 68 0 - 6.2-7.8 QD2 LEU 57 - HB VAL 54 far 0 70 0 - 6.6-7.8 QD1 LEU 27 - HB VAL 54 far 0 100 0 - 8.0-9.2 QD2 LEU 27 - HB VAL 54 far 0 73 0 - 8.1-9.1 QD1 LEU 64 - HB VAL 54 far 0 92 0 - 8.8-10.3 QG2 ILE 93 - HB VAL 54 far 0 99 0 - 8.8-10.4 QD1 ILE 93 - HB VAL 54 far 0 99 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 2492 from cnoeabs.peaks (8.64, 1.89, 35.51 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB VAL 54 OK 100 100 100 100 3.6-4.3 4.5=100 Violated in 0 structures by 0.00 A. Peak 2493 from cnoeabs.peaks (8.49, 0.65, 22.12 ppm; 3.56 A): 3 out of 7 assignments used, quality = 1.00: * H VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.4-2.9 6897=100, 6896/2.1=73...(20) H LYS 53 + QG2 VAL 54 OK 84 88 100 95 3.5-4.0 3.0/9200=45, 4.7/6897=34...(22) H ARG 79 + QG2 VAL 54 OK 50 99 70 72 4.0-5.6 2487/2.1=30, 6901/4.1=16...(9) H LEU 2 - QG2 VAL 54 far 0 93 0 - 6.6-8.7 H LEU 29 - QG2 VAL 54 far 0 59 0 - 8.3-9.4 H ILE 7 - QG2 VAL 54 far 0 73 0 - 8.5-9.5 H THR 31 - QG2 VAL 54 far 0 100 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 2494 from cnoeabs.peaks (5.16, 0.65, 22.12 ppm; 3.45 A): 4 out of 5 assignments used, quality = 1.00: * HA VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.4-2.8 3.2=100 HA TYR 4 + QG2 VAL 54 OK 70 96 75 98 4.5-5.2 3.0/9239=46, 3.0/9238=39...(21) HA VAL 78 + QG2 VAL 54 OK 68 71 100 96 2.4-4.1 10348/2.1=38...(23) HA LEU 3 + QG2 VAL 54 OK 43 75 100 58 4.1-4.9 3.6/9227=32, 8064/4.0=10...(11) HA ILE 7 - QG2 VAL 54 far 0 81 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2495 from cnoeabs.peaks (1.89, 0.65, 22.12 ppm; 3.24 A): 1 out of 7 assignments used, quality = 1.00: * HB VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 42 - QG2 VAL 54 far 10 99 10 - 4.5-6.9 HB VAL 5 - QG2 VAL 54 far 0 87 0 - 6.9-7.7 HB2 GLU 43 - QG2 VAL 54 far 0 91 0 - 7.9-9.3 HB3 LYS 47 - QG2 VAL 54 far 0 59 0 - 8.1-9.9 HB3 LYS 39 - QG2 VAL 54 far 0 88 0 - 8.5-10.3 HB3 LYS 68 - QG2 VAL 54 far 0 97 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 2496 from cnoeabs.peaks (0.65, 0.65, 22.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 54 + QG2 VAL 54 OK 100 100 - 100 Peak 2497 from cnoeabs.peaks (0.76, 0.65, 22.12 ppm; 2.65 A): 5 out of 15 assignments used, quality = 1.00: * QG1 VAL 54 + QG2 VAL 54 OK 100 100 100 100 2.0-2.1 2.1=100 QG1 VAL 78 + QG2 VAL 54 OK 87 96 100 91 1.9-3.0 2502=26, 2491/2.1=17...(31) QD2 LEU 42 + QG2 VAL 54 OK 62 100 90 69 2.3-4.4 10600/9222=21...(20) QD1 ILE 76 + QG2 VAL 54 OK 28 59 85 56 3.4-4.3 3.2/11070=28, ~9233=10...(13) QG2 ILE 52 + QG2 VAL 54 OK 26 95 45 61 2.6-4.9 3.2/9240=21...(16) QD1 LEU 6 - QG2 VAL 54 far 5 99 5 - 3.9-6.9 QD2 LEU 27 - QG2 VAL 54 far 0 73 0 - 6.0-7.2 QG1 VAL 5 - QG2 VAL 54 far 0 68 0 - 6.1-6.8 QD1 LEU 27 - QG2 VAL 54 far 0 100 0 - 6.4-7.4 QD2 LEU 57 - QG2 VAL 54 far 0 70 0 - 6.9-7.7 QG2 ILE 93 - QG2 VAL 54 far 0 99 0 - 7.6-8.9 QD1 ILE 93 - QG2 VAL 54 far 0 99 0 - 8.3-9.7 QD1 LEU 64 - QG2 VAL 54 far 0 92 0 - 8.9-10.3 HG13 ILE 93 - QG2 VAL 54 far 0 94 0 - 9.3-10.5 QG2 ILE 7 - QG2 VAL 54 far 0 63 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 2498 from cnoeabs.peaks (8.64, 0.65, 22.12 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + QG2 VAL 54 OK 100 100 100 100 4.0-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 2499 from cnoeabs.peaks (8.49, 0.76, 21.39 ppm; 4.01 A): 4 out of 15 assignments used, quality = 1.00: * H VAL 54 + QG1 VAL 54 OK 99 100 100 99 3.9-4.0 4.0=99 H ARG 79 + QG1 VAL 54 OK 86 99 100 87 3.7-5.3 2487/2.1=37...(13) H VAL 54 + QG1 VAL 78 OK 81 83 100 98 3.4-4.4 11101/3.2=62, 6898=47...(17) H ARG 79 + QG1 VAL 78 OK 80 81 100 100 3.8-4.0 4.3=84, 7284/3.2=72...(20) H LYS 53 - QG1 VAL 54 far 9 88 10 - 5.1-6.1 H LYS 53 - QG1 VAL 78 far 0 68 0 - 6.0-6.9 H ILE 7 - QG1 VAL 54 far 0 73 0 - 6.0-7.1 H LEU 29 - QG1 VAL 54 far 0 59 0 - 6.6-7.9 H THR 31 - QG1 VAL 54 far 0 100 0 - 7.6-9.1 H ALA 67 - QG1 VAL 78 far 0 80 0 - 7.7-8.9 H ALA 67 - QG1 VAL 54 far 0 99 0 - 8.1-9.8 H VAL 32 - QG1 VAL 54 far 0 99 0 - 8.2-9.7 H LEU 2 - QG1 VAL 54 far 0 93 0 - 8.6-10.4 H LEU 2 - QG1 VAL 78 far 0 72 0 - 8.9-11.3 H ILE 7 - QG1 VAL 78 far 0 54 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 2500 from cnoeabs.peaks (5.16, 0.76, 21.39 ppm; 3.39 A): 5 out of 10 assignments used, quality = 1.00: * HA VAL 54 + QG1 VAL 54 OK 100 100 100 100 2.0-2.4 3.2=100 HA TYR 4 + QG1 VAL 54 OK 92 96 100 96 4.0-4.8 3.0/9245=32, 3.0/9246=24...(23) HA VAL 78 + QG1 VAL 54 OK 68 71 100 95 3.5-4.8 10348/2.1=37, ~11104=22...(26) HA VAL 78 + QG1 VAL 78 OK 53 53 100 100 2.5-2.7 3.2=100 HA VAL 54 + QG1 VAL 78 OK 32 83 40 96 4.6-5.2 2485=30, 3.0/6898=24...(27) HA LEU 3 - QG1 VAL 54 far 0 75 0 - 5.4-6.2 HA ILE 7 - QG1 VAL 54 far 0 81 0 - 7.2-7.8 HA LEU 3 - QG1 VAL 78 far 0 56 0 - 7.2-7.9 HA TYR 4 - QG1 VAL 78 far 0 76 0 - 7.8-8.5 HA ILE 7 - QG1 VAL 78 far 0 60 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 2501 from cnoeabs.peaks (1.89, 0.76, 21.39 ppm; 2.92 A): 4 out of 17 assignments used, quality = 1.00: * HB VAL 54 + QG1 VAL 54 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 54 + QG1 VAL 78 OK 78 83 100 94 2.1-2.9 2491=34, 10348/3.2=33...(21) HG LEU 42 + QG1 VAL 54 OK 39 99 65 60 3.6-6.3 3.0/10653=19...(13) HG LEU 42 + QG1 VAL 78 OK 21 80 40 66 3.9-5.7 3.0/10653=18...(15) HB VAL 5 - QG1 VAL 54 far 0 87 0 - 5.0-6.0 HB3 LYS 39 - QG1 VAL 78 far 0 68 0 - 6.7-8.4 HB3 LYS 68 - QG1 VAL 78 far 0 77 0 - 7.2-8.4 HB2 GLU 43 - QG1 VAL 78 far 0 70 0 - 8.0-9.2 HB3 LYS 39 - QG1 VAL 54 far 0 88 0 - 8.1-9.8 HB3 LYS 68 - QG1 VAL 54 far 0 97 0 - 8.5-11.0 HB2 GLU 43 - QG1 VAL 54 far 0 91 0 - 8.6-9.9 HB ILE 8 - QG1 VAL 54 far 0 99 0 - 9.1-9.9 HB VAL 5 - QG1 VAL 78 far 0 66 0 - 9.1-9.9 HB3 LYS 47 - QG1 VAL 78 far 0 43 0 - 9.3-12.0 HB3 LYS 47 - QG1 VAL 54 far 0 59 0 - 9.5-11.4 HB3 LYS 66 - QG1 VAL 78 far 0 66 0 - 9.6-10.9 HB3 LYS 66 - QG1 VAL 54 far 0 87 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 2502 from cnoeabs.peaks (0.65, 0.76, 21.39 ppm; 2.76 A): 4 out of 16 assignments used, quality = 1.00: * QG2 VAL 54 + QG1 VAL 54 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 VAL 54 + QG1 VAL 78 OK 77 83 100 93 1.9-3.0 2497=29, 2.1/2491=19...(31) QD2 LEU 6 + QG1 VAL 54 OK 57 73 100 78 2.4-3.5 2.1/10209=22...(20) QD1 LEU 42 + QG1 VAL 78 OK 30 51 100 60 2.3-4.0 3.1/10653=15, 1941=14...(14) QD1 LEU 42 - QG1 VAL 54 far 10 70 15 - 3.8-5.4 QD1 ILE 52 - QG1 VAL 78 far 6 41 15 - 4.0-6.0 QD1 ILE 52 - QG1 VAL 54 far 3 57 5 - 4.2-5.4 QD2 LEU 29 - QG1 VAL 54 far 0 98 0 - 4.9-7.6 QD1 LEU 29 - QG1 VAL 54 far 0 100 0 - 4.9-7.5 QD2 LEU 6 - QG1 VAL 78 far 0 54 0 - 5.0-6.2 QD1 ILE 7 - QG1 VAL 54 far 0 70 0 - 6.8-7.8 QD2 LEU 29 - QG1 VAL 78 far 0 79 0 - 8.3-10.9 QD1 LEU 29 - QG1 VAL 78 far 0 83 0 - 8.3-10.4 QG2 VAL 58 - QG1 VAL 54 far 0 91 0 - 8.6-9.4 QG2 VAL 58 - QG1 VAL 78 far 0 70 0 - 9.0-9.9 QD1 ILE 7 - QG1 VAL 78 far 0 51 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2503 from cnoeabs.peaks (0.76, 0.76, 21.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG1 VAL 54 + QG1 VAL 54 OK 100 100 - 100 QG1 VAL 78 + QG1 VAL 78 OK 76 76 - 100 Peak 2504 from cnoeabs.peaks (8.64, 0.76, 21.39 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 55 + QG1 VAL 54 OK 100 100 100 100 2.1-3.1 4.1=78, 6902/3.2=69...(21) H LEU 55 - QG1 VAL 78 far 4 83 5 - 5.0-6.2 Violated in 0 structures by 0.00 A. Peak 2506 from cnoeabs.peaks (4.67, 4.67, 52.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + HA LEU 55 OK 100 100 - 100 Peak 2507 from cnoeabs.peaks (-0.63, 4.67, 52.29 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HA LEU 55 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2508 from cnoeabs.peaks (1.03, 4.67, 52.29 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + HA LEU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ARG 81 + HA LEU 55 OK 63 77 95 85 4.6-6.6 2540/2538=34...(13) QG1 VAL 83 - HA LEU 55 far 0 95 0 - 7.6-8.7 HG12 ILE 52 - HA LEU 55 far 0 97 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 2509 from cnoeabs.peaks (0.96, 4.67, 52.29 ppm; 6.50 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 55 + HA LEU 55 OK 100 100 100 100 2.8-3.2 3.7=100 QG2 THR 80 + HA LEU 55 OK 96 96 100 100 5.2-5.8 3.2/9713=93...(14) QG2 VAL 5 + HA LEU 55 OK 94 94 100 100 4.2-5.4 8198/3.0=90...(22) HB2 ARG 81 + HA LEU 55 OK 55 73 95 78 6.0-8.3 1.8/2508=38...(10) QG2 VAL 83 - HA LEU 55 far 0 100 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 2510 from cnoeabs.peaks (0.44, 4.67, 52.29 ppm; 4.37 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HA LEU 55 OK 100 100 100 100 2.2-3.0 4.0=100 HG2 ARG 81 + HA LEU 55 OK 35 99 45 78 4.8-8.4 10924/9713=24...(16) QD1 LEU 3 - HA LEU 55 far 0 82 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 2511 from cnoeabs.peaks (0.51, 4.67, 52.29 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HA LEU 55 OK 100 100 100 100 3.9-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 2512 from cnoeabs.peaks (9.19, 4.67, 52.29 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HA LEU 55 OK 100 100 100 100 2.1-2.3 6915=100, 2544/2538=44...(22) Violated in 0 structures by 0.00 A. Peak 2513 from cnoeabs.peaks (8.64, -0.63, 42.07 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.3-3.4 3.9=100 Violated in 0 structures by 0.00 A. Peak 2514 from cnoeabs.peaks (4.67, -0.63, 42.07 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 27 - HB2 LEU 55 far 0 94 0 - 8.4-10.5 HA LYS 82 - HB2 LEU 55 far 0 75 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 2515 from cnoeabs.peaks (-0.63, -0.63, 42.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 Peak 2516 from cnoeabs.peaks (1.03, -0.63, 42.07 ppm; 3.69 A): 1 out of 4 assignments used, quality = 1.00: * HB3 LEU 55 + HB2 LEU 55 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 81 - HB2 LEU 55 far 4 77 5 - 4.9-7.6 QG1 VAL 83 - HB2 LEU 55 far 0 95 0 - 7.1-8.5 HG12 ILE 52 - HB2 LEU 55 far 0 97 0 - 9.0-11.6 Violated in 0 structures by 0.00 A. Peak 2517 from cnoeabs.peaks (0.96, -0.63, 42.07 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.5-3.0 3.0=100 QG2 VAL 5 + HB2 LEU 55 OK 94 94 100 100 1.9-3.9 8198=76, 8197/3.1=44...(28) HB2 ARG 81 - HB2 LEU 55 far 0 73 0 - 6.3-9.3 QG2 THR 80 - HB2 LEU 55 far 0 96 0 - 6.9-8.0 QG2 VAL 83 - HB2 LEU 55 far 0 100 0 - 7.6-9.0 Violated in 0 structures by 0.00 A. Peak 2518 from cnoeabs.peaks (0.44, -0.63, 42.07 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 ARG 81 - HB2 LEU 55 far 10 99 10 - 5.2-9.5 QD1 LEU 3 - HB2 LEU 55 far 0 82 0 - 6.5-7.9 Violated in 0 structures by 0.00 A. Peak 2519 from cnoeabs.peaks (0.51, -0.63, 42.07 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HB2 LEU 55 OK 100 100 100 100 2.0-2.8 3.1=100 Violated in 0 structures by 0.00 A. Peak 2520 from cnoeabs.peaks (9.19, -0.63, 42.07 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HB2 LEU 55 OK 100 100 100 100 3.8-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 2521 from cnoeabs.peaks (8.64, 1.03, 42.07 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.3-3.4 3.9=100 Violated in 0 structures by 0.00 A. Peak 2522 from cnoeabs.peaks (4.67, 1.03, 42.07 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.3-3.0 3.0=100 HA LEU 27 - HB3 LEU 55 far 0 94 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 2523 from cnoeabs.peaks (-0.63, 1.03, 42.07 ppm; 3.75 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 2524 from cnoeabs.peaks (1.03, 1.03, 42.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + HB3 LEU 55 OK 100 100 - 100 Peak 2525 from cnoeabs.peaks (0.96, 1.03, 42.07 ppm; 3.90 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.6-3.0 3.0=100 QG2 VAL 5 + HB3 LEU 55 OK 94 94 100 100 1.9-4.1 8198/1.8=60, 3.2/8189=52...(26) HB2 ARG 81 - HB3 LEU 55 far 0 73 0 - 6.5-8.8 QG2 THR 80 - HB3 LEU 55 far 0 96 0 - 7.0-7.8 QG2 VAL 83 - HB3 LEU 55 far 0 100 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 2526 from cnoeabs.peaks (0.44, 1.03, 42.07 ppm; 4.55 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.0-3.2 3.1=100 HG2 ARG 81 + HB3 LEU 55 OK 24 99 25 97 5.6-9.0 ~9253=28, ~3614=27...(22) QD1 LEU 3 - HB3 LEU 55 far 0 82 0 - 6.7-7.8 Violated in 0 structures by 0.00 A. Peak 2527 from cnoeabs.peaks (0.51, 1.03, 42.07 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 100 100 2.0-2.8 3.1=100 Violated in 0 structures by 0.00 A. Peak 2530 from cnoeabs.peaks (4.67, 0.96, 27.00 ppm; 5.42 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 55 + HG LEU 55 OK 100 100 100 100 2.8-3.2 3.7=100 HA LYS 82 - HG LEU 55 far 0 75 0 - 7.4-8.8 Violated in 0 structures by 0.00 A. Peak 2531 from cnoeabs.peaks (-0.63, 0.96, 27.00 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HG LEU 55 OK 100 100 100 100 2.5-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2532 from cnoeabs.peaks (1.03, 0.96, 27.00 ppm; 3.73 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 ARG 81 + HG LEU 55 OK 74 77 100 96 2.8-5.1 2540/2.1=32, 2548/2.1=27...(24) QG1 VAL 83 - HG LEU 55 far 0 95 0 - 5.3-6.5 Violated in 0 structures by 0.00 A. Peak 2533 from cnoeabs.peaks (0.96, 0.96, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + HG LEU 55 OK 100 100 - 100 Peak 2534 from cnoeabs.peaks (0.44, 0.96, 27.00 ppm; 3.79 A): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 ARG 81 + HG LEU 55 OK 43 99 45 95 4.1-7.1 ~3614=26, 2.9/2532=25...(26) QD1 LEU 3 - HG LEU 55 far 0 82 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 2535 from cnoeabs.peaks (0.51, 0.96, 27.00 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HG LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2536 from cnoeabs.peaks (9.19, 0.96, 27.00 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HG LEU 55 OK 100 100 100 100 2.3-3.2 2544/2.1=100...(21) Violated in 0 structures by 0.00 A. Peak 2537 from cnoeabs.peaks (8.64, 0.44, 22.30 ppm; 4.71 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 55 + QD1 LEU 55 OK 100 100 100 100 4.3-4.6 6910=99, 2.9/2538=88...(20) H ALA 18 - QD1 LEU 55 far 0 93 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 2538 from cnoeabs.peaks (4.67, 0.44, 22.30 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 55 + QD1 LEU 55 OK 99 100 100 99 2.2-3.0 4.0=59, 6915/2544=49...(25) HA LYS 82 - QD1 LEU 55 far 0 75 0 - 6.4-7.7 HA LEU 27 - QD1 LEU 55 far 0 94 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 2539 from cnoeabs.peaks (-0.63, 0.44, 22.30 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.0-3.2 3.1=100 Violated in 0 structures by 0.00 A. Peak 2540 from cnoeabs.peaks (1.03, 0.44, 22.30 ppm; 3.44 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.0-3.2 3.1=100 HB3 ARG 81 + QD1 LEU 55 OK 74 77 100 96 1.9-3.6 4.0/9280=29, 2.9/3614=28...(21) QG1 VAL 83 - QD1 LEU 55 poor 19 95 20 - 4.5-5.4 HG2 LYS 82 - QD1 LEU 55 far 0 68 0 - 8.6-9.9 HG12 ILE 52 - QD1 LEU 55 far 0 97 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 2541 from cnoeabs.peaks (0.96, 0.44, 22.30 ppm; 3.13 A): 3 out of 5 assignments used, quality = 1.00: * HG LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 5 + QD1 LEU 55 OK 88 94 95 98 3.9-4.7 8197=40, 2549/2.1=30...(30) HB2 ARG 81 + QD1 LEU 55 OK 63 73 95 90 2.8-5.0 1.8/2540=26, 2.9/3614=24...(21) QG2 THR 80 - QD1 LEU 55 far 0 96 0 - 4.9-6.1 QG2 VAL 83 - QD1 LEU 55 far 0 100 0 - 5.3-6.3 Violated in 0 structures by 0.00 A. Peak 2542 from cnoeabs.peaks (0.44, 0.44, 22.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 55 + QD1 LEU 55 OK 100 100 - 100 Peak 2543 from cnoeabs.peaks (0.51, 0.44, 22.30 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + QD1 LEU 55 OK 100 100 100 100 2.0-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2544 from cnoeabs.peaks (9.19, 0.44, 22.30 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + QD1 LEU 55 OK 100 100 100 100 1.8-3.4 6919=83, 6915/2538=52...(24) H THR 84 - QD1 LEU 55 far 0 98 0 - 8.8-10.3 Violated in 1 structures by 0.00 A. Peak 2545 from cnoeabs.peaks (8.64, 0.51, 26.14 ppm; 5.02 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 55 + QD2 LEU 55 OK 100 100 100 100 3.8-4.4 4.8=100 H ALA 18 - QD2 LEU 55 far 0 93 0 - 7.3-8.7 Violated in 0 structures by 0.00 A. Peak 2546 from cnoeabs.peaks (4.67, 0.51, 26.14 ppm; 4.79 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 55 + QD2 LEU 55 OK 100 100 100 100 3.9-4.0 4.0=100 HA LYS 82 - QD2 LEU 55 far 0 75 0 - 7.4-8.5 HA LEU 27 - QD2 LEU 55 far 0 94 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 2547 from cnoeabs.peaks (-0.63, 0.51, 26.14 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.0-2.8 3.1=100 Violated in 0 structures by 0.00 A. Peak 2548 from cnoeabs.peaks (1.03, 0.51, 26.14 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.0-2.8 3.1=100 HB3 ARG 81 + QD2 LEU 55 OK 67 77 95 92 3.7-5.2 2540/2.1=29, 2532/2.1=26...(20) QG1 VAL 83 - QD2 LEU 55 poor 18 95 30 63 4.3-5.4 9808/10212=20...(6) HG12 ILE 52 - QD2 LEU 55 far 0 97 0 - 9.6-11.7 HG2 LYS 82 - QD2 LEU 55 far 0 68 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 2549 from cnoeabs.peaks (0.96, 0.51, 26.14 ppm; 3.17 A): 2 out of 5 assignments used, quality = 1.00: * HG LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 5 + QD2 LEU 55 OK 93 94 100 99 1.9-3.0 2.1/8195=52, 8197/2.1=36...(31) HB2 ARG 81 - QD2 LEU 55 poor 18 73 25 - 4.1-6.5 QG2 VAL 83 - QD2 LEU 55 far 0 100 0 - 5.1-5.9 QG2 THR 80 - QD2 LEU 55 far 0 96 0 - 6.3-7.2 Violated in 0 structures by 0.00 A. Peak 2550 from cnoeabs.peaks (0.44, 0.51, 26.14 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * QD1 LEU 55 + QD2 LEU 55 OK 100 100 100 100 2.0-2.1 2.1=100 HG2 ARG 81 - QD2 LEU 55 far 0 99 0 - 4.7-6.4 QD1 LEU 3 - QD2 LEU 55 far 0 82 0 - 6.4-7.2 Violated in 0 structures by 0.00 A. Peak 2551 from cnoeabs.peaks (0.51, 0.51, 26.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 Peak 2552 from cnoeabs.peaks (9.19, 0.51, 26.14 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 56 + QD2 LEU 55 OK 100 100 100 100 3.9-4.7 6920=100, 2544/2.1=100...(12) H THR 84 - QD2 LEU 55 far 0 98 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 2554 from cnoeabs.peaks (4.88, 4.88, 59.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HA ILE 56 OK 100 100 - 100 Peak 2555 from cnoeabs.peaks (1.76, 4.88, 59.98 ppm; 3.96 A): 1 out of 5 assignments used, quality = 1.00: * HB ILE 56 + HA ILE 56 OK 100 100 100 100 3.0-3.0 3.0=100 HB VAL 78 - HA ILE 56 far 0 95 0 - 5.7-7.0 HB3 GLU 63 - HA ILE 56 far 0 96 0 - 7.9-9.3 HD2 ARG 81 - HA ILE 56 far 0 61 0 - 8.4-9.3 HB3 LYS 82 - HA ILE 56 far 0 100 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 2556 from cnoeabs.peaks (0.60, 4.88, 59.98 ppm; 4.63 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 100 100 2.1-2.6 3.2=100 QD1 ILE 7 + HA ILE 56 OK 72 91 100 79 4.7-5.6 6932/6930=40...(9) Violated in 0 structures by 0.00 A. Peak 2557 from cnoeabs.peaks (1.53, 4.88, 59.98 ppm; 3.85 A): 2 out of 8 assignments used, quality = 1.00: * HG12 ILE 56 + HA ILE 56 OK 100 100 100 100 2.5-3.7 3.9=95, 2577/3.0=45...(18) HG LEU 6 + HA ILE 56 OK 95 100 100 96 3.3-5.3 209/8216=43, 3.0/8223=32...(16) HG LEU 57 - HA ILE 56 far 0 77 0 - 5.5-5.8 HB ILE 7 - HA ILE 56 far 0 99 0 - 5.6-6.2 HG2 ARG 79 - HA ILE 56 far 0 100 0 - 6.1-9.5 HG3 ARG 79 - HA ILE 56 far 0 100 0 - 6.5-9.2 HG3 ARG 30 - HA ILE 56 far 0 100 0 - 8.4-10.2 HB3 LEU 103 - HA ILE 56 far 0 99 0 - 9.6-16.6 Violated in 0 structures by 0.00 A. Peak 2558 from cnoeabs.peaks (0.71, 4.88, 59.98 ppm; 4.84 A): 7 out of 18 assignments used, quality = 1.00: * HG13 ILE 56 + HA ILE 56 OK 100 100 100 100 2.3-3.9 3.9=100 QD1 ILE 56 + HA ILE 56 OK 100 100 100 100 1.9-3.9 4.2=100 QD1 ILE 8 + HA ILE 56 OK 97 100 100 97 3.2-5.2 8313/3.2=43, 2594=38...(17) QG1 VAL 58 + HA ILE 56 OK 96 100 100 96 4.5-4.9 10714/6930=56...(10) QG1 VAL 5 + HA ILE 56 OK 95 98 100 97 3.3-4.4 178/8216=73, 8167/3.0=37...(14) QD2 LEU 6 + HA ILE 56 OK 80 81 100 99 4.0-4.9 4.6/8216=61, 3.1/8223=48...(13) QG2 VAL 78 + HA ILE 56 OK 51 100 75 68 5.5-6.6 8167/3.0=23, ~9300=22...(7) QG2 VAL 58 - HA ILE 56 poor 12 59 20 - 6.1-6.8 QD1 LEU 64 - HA ILE 56 far 4 82 5 - 6.1-7.3 QG1 VAL 78 - HA ILE 56 far 0 75 0 - 6.4-7.7 QD1 LEU 42 - HA ILE 56 far 0 84 0 - 6.5-8.0 HG13 ILE 93 - HA ILE 56 far 0 79 0 - 6.8-7.6 QD2 LEU 14 - HA ILE 56 far 0 100 0 - 7.2-8.2 HG3 ARG 81 - HA ILE 56 far 0 85 0 - 7.2-8.5 QG2 ILE 93 - HA ILE 56 far 0 65 0 - 7.4-8.5 QD1 LEU 14 - HA ILE 56 far 0 63 0 - 7.9-8.5 QD2 LEU 27 - HA ILE 56 far 0 96 0 - 9.2-10.5 QD1 ILE 52 - HA ILE 56 far 0 92 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 2559 from cnoeabs.peaks (0.71, 4.88, 59.98 ppm; 4.36 A): 6 out of 17 assignments used, quality = 1.00: * QD1 ILE 56 + HA ILE 56 OK 100 100 100 100 1.9-3.9 4.2=100 HG13 ILE 56 + HA ILE 56 OK 100 100 100 100 2.3-3.9 3.9=100 QD1 ILE 8 + HA ILE 56 OK 94 100 100 94 3.2-5.2 8313/3.2=39, 2594=29...(17) QG1 VAL 58 + HA ILE 56 OK 89 98 100 91 4.5-4.9 10714/6930=43...(10) QD2 LEU 6 + HA ILE 56 OK 88 91 100 97 4.0-4.9 4.6/8216=50, 2.1/2557=41...(13) QG1 VAL 5 + HA ILE 56 OK 85 93 100 91 3.3-4.4 178/8216=57, 173/6930=29...(14) QG2 VAL 78 - HA ILE 56 poor 14 97 25 58 5.5-6.6 8167/3.0=17, ~9300=17...(7) QD1 LEU 64 - HA ILE 56 far 0 70 0 - 6.1-7.3 QG2 VAL 58 - HA ILE 56 far 0 73 0 - 6.1-6.8 QG1 VAL 78 - HA ILE 56 far 0 61 0 - 6.4-7.7 QD1 LEU 42 - HA ILE 56 far 0 93 0 - 6.5-8.0 HG13 ILE 93 - HA ILE 56 far 0 65 0 - 6.8-7.6 QD2 LEU 14 - HA ILE 56 far 0 100 0 - 7.2-8.2 HG3 ARG 81 - HA ILE 56 far 0 73 0 - 7.2-8.5 QD1 LEU 14 - HA ILE 56 far 0 77 0 - 7.9-8.5 QD2 LEU 27 - HA ILE 56 far 0 90 0 - 9.2-10.5 QD1 ILE 52 - HA ILE 56 far 0 98 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 2560 from cnoeabs.peaks (8.93, 4.88, 59.98 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + HA ILE 56 OK 100 100 100 100 2.1-2.2 6930=100, 2576/3.2=45...(19) H VAL 5 - HA ILE 56 far 0 99 0 - 6.4-7.2 Violated in 0 structures by 0.00 A. Peak 2561 from cnoeabs.peaks (9.19, 1.76, 38.18 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HB ILE 56 OK 100 100 100 100 2.4-3.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 2562 from cnoeabs.peaks (4.88, 1.76, 38.18 ppm; 5.26 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 THR 31 - HB ILE 56 far 0 99 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 2563 from cnoeabs.peaks (1.76, 1.76, 38.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HB ILE 56 OK 100 100 - 100 Peak 2564 from cnoeabs.peaks (0.60, 1.76, 38.18 ppm; 3.44 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + HB ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 7 - HB ILE 56 far 0 91 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 2565 from cnoeabs.peaks (1.53, 1.76, 38.18 ppm; 3.89 A): 1 out of 10 assignments used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 6 - HB ILE 56 far 15 100 15 - 5.1-7.1 HG2 ARG 79 - HB ILE 56 far 5 100 5 - 5.3-8.4 HG3 ARG 79 - HB ILE 56 far 0 100 0 - 6.3-8.4 HG LEU 57 - HB ILE 56 far 0 77 0 - 7.0-7.5 HB ILE 7 - HB ILE 56 far 0 99 0 - 8.1-8.8 HB3 LEU 103 - HB ILE 56 far 0 99 0 - 8.7-17.2 HG2 LYS 66 - HB ILE 56 far 0 57 0 - 9.3-11.1 HG3 LYS 66 - HB ILE 56 far 0 61 0 - 10.0-11.2 HD3 LYS 82 - HB ILE 56 far 0 68 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 2566 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.08 A): 6 out of 16 assignments used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 2.5-3.0 2.9=100 QD1 ILE 56 + HB ILE 56 OK 97 100 100 97 2.2-3.2 3.2=86, 2596/2.1=36...(16) QG1 VAL 58 + HB ILE 56 OK 81 100 100 82 3.3-4.5 10225=28, 10223/9729=19...(17) QD1 ILE 8 + HB ILE 56 OK 69 100 85 82 3.7-5.0 8313/2.1=31, 2595=16...(18) QG2 VAL 78 + HB ILE 56 OK 24 100 35 69 3.9-5.4 ~9686=14, 2582/2.9=11...(21) QD1 LEU 64 + HB ILE 56 OK 21 82 40 64 3.8-5.1 10762/9729=30...(8) QG2 VAL 58 - HB ILE 56 far 0 59 0 - 4.7-6.0 QD2 LEU 6 - HB ILE 56 far 0 81 0 - 5.1-6.9 QG1 VAL 5 - HB ILE 56 far 0 98 0 - 5.7-6.7 QD1 LEU 42 - HB ILE 56 far 0 84 0 - 5.8-7.5 QG1 VAL 78 - HB ILE 56 far 0 75 0 - 5.8-7.3 HG3 ARG 81 - HB ILE 56 far 0 85 0 - 6.7-7.6 QD2 LEU 14 - HB ILE 56 far 0 100 0 - 8.4-9.7 QD1 LEU 14 - HB ILE 56 far 0 63 0 - 8.7-9.8 HG13 ILE 93 - HB ILE 56 far 0 79 0 - 8.8-10.0 QG2 ILE 93 - HB ILE 56 far 0 65 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2567 from cnoeabs.peaks (0.71, 1.76, 38.18 ppm; 3.24 A): 6 out of 15 assignments used, quality = 1.00: * QD1 ILE 56 + HB ILE 56 OK 100 100 100 100 2.2-3.2 3.2=100 HG13 ILE 56 + HB ILE 56 OK 100 100 100 100 2.5-3.0 2.9=100 QG1 VAL 58 + HB ILE 56 OK 83 98 100 85 3.3-4.5 10225=32, 10223/9729=21...(17) QD1 ILE 8 + HB ILE 56 OK 77 100 90 86 3.7-5.0 8313/2.1=33, 2595=19...(18) QG2 VAL 78 + HB ILE 56 OK 42 97 60 73 3.9-5.4 ~9686=15, 2582/2.9=12...(21) QD1 LEU 64 + HB ILE 56 OK 23 70 55 61 3.8-5.1 10762/9729=26...(8) QG2 VAL 58 - HB ILE 56 far 4 73 5 - 4.7-6.0 QD2 LEU 6 - HB ILE 56 far 0 91 0 - 5.1-6.9 QG1 VAL 5 - HB ILE 56 far 0 93 0 - 5.7-6.7 QD1 LEU 42 - HB ILE 56 far 0 93 0 - 5.8-7.5 QG1 VAL 78 - HB ILE 56 far 0 61 0 - 5.8-7.3 HG3 ARG 81 - HB ILE 56 far 0 73 0 - 6.7-7.6 QD2 LEU 14 - HB ILE 56 far 0 100 0 - 8.4-9.7 QD1 LEU 14 - HB ILE 56 far 0 77 0 - 8.7-9.8 HG13 ILE 93 - HB ILE 56 far 0 65 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 2568 from cnoeabs.peaks (8.93, 1.76, 38.18 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + HB ILE 56 OK 100 100 100 100 3.7-4.3 4.4=100 H VAL 5 - HB ILE 56 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 2569 from cnoeabs.peaks (9.19, 0.60, 16.63 ppm; 4.31 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 56 + QG2 ILE 56 OK 100 100 100 100 3.6-4.0 4.0=100 H GLU 35 - QG2 ILE 56 far 0 97 0 - 8.3-9.4 H THR 84 - QG2 ILE 56 far 0 98 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 2570 from cnoeabs.peaks (4.88, 0.60, 16.63 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.1-2.6 3.2=100 HA THR 31 - QG2 ILE 56 far 0 99 0 - 5.6-6.9 HA ARG 30 - QG2 ILE 56 far 0 75 0 - 7.6-9.2 Violated in 0 structures by 0.00 A. Peak 2571 from cnoeabs.peaks (1.76, 0.60, 16.63 ppm; 3.21 A): 1 out of 11 assignments used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 63 - QG2 ILE 56 far 10 96 10 - 4.5-5.7 HB VAL 78 - QG2 ILE 56 far 0 95 0 - 5.1-6.3 HB2 LYS 66 - QG2 ILE 56 far 0 100 0 - 6.1-7.3 HD2 ARG 81 - QG2 ILE 56 far 0 61 0 - 6.3-8.0 HB3 LYS 82 - QG2 ILE 56 far 0 100 0 - 6.5-8.9 HB2 LYS 39 - QG2 ILE 56 far 0 68 0 - 8.1-9.9 HD3 LYS 33 - QG2 ILE 56 far 0 59 0 - 8.1-9.5 HD2 LYS 33 - QG2 ILE 56 far 0 59 0 - 8.3-10.6 HG3 ARG 19 - QG2 ILE 56 far 0 100 0 - 9.3-12.5 HB ILE 15 - QG2 ILE 56 far 0 70 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 2572 from cnoeabs.peaks (0.60, 0.60, 16.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + QG2 ILE 56 OK 100 100 - 100 Peak 2573 from cnoeabs.peaks (1.53, 0.60, 16.63 ppm; 3.64 A): 2 out of 14 assignments used, quality = 1.00: * HG12 ILE 56 + QG2 ILE 56 OK 100 100 100 100 2.1-3.2 3.2=100 HG LEU 6 + QG2 ILE 56 OK 93 100 95 98 3.3-5.2 3.0/10672=53...(24) HB ILE 7 - QG2 ILE 56 far 0 99 0 - 5.2-6.2 HG LEU 57 - QG2 ILE 56 far 0 77 0 - 5.8-6.4 HG2 ARG 79 - QG2 ILE 56 far 0 100 0 - 6.0-8.9 HG3 ARG 79 - QG2 ILE 56 far 0 100 0 - 6.7-8.9 HG2 LYS 66 - QG2 ILE 56 far 0 57 0 - 6.7-8.7 HG3 LYS 66 - QG2 ILE 56 far 0 61 0 - 7.1-8.5 HG3 ARG 30 - QG2 ILE 56 far 0 100 0 - 7.7-9.7 HD3 LYS 82 - QG2 ILE 56 far 0 68 0 - 7.8-9.3 HG3 LYS 33 - QG2 ILE 56 far 0 82 0 - 8.1-10.1 HB3 LEU 103 - QG2 ILE 56 far 0 99 0 - 9.2-15.7 HG2 LYS 33 - QG2 ILE 56 far 0 95 0 - 9.6-11.4 HB3 GLU 28 - QG2 ILE 56 far 0 73 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 2574 from cnoeabs.peaks (0.71, 0.60, 16.63 ppm; 2.50 A): 4 out of 18 assignments used, quality = 1.00: * HG13 ILE 56 + QG2 ILE 56 OK 85 100 100 85 2.0-3.1 3.2=49, 2.1/2596=24...(16) QD1 ILE 56 + QG2 ILE 56 OK 80 100 100 81 1.8-3.3 3.0=56, 2593/4.0=11...(17) QD1 ILE 8 + QG2 ILE 56 OK 73 100 100 73 1.7-2.6 8313=30, 2.1/9325=14...(17) QG1 VAL 58 + QG2 ILE 56 OK 68 100 100 68 1.9-2.7 10225/2.1=14...(20) QG2 VAL 58 - QG2 ILE 56 poor 18 59 30 - 3.5-4.9 QD1 LEU 64 - QG2 ILE 56 far 12 82 15 - 3.6-5.4 QD2 LEU 6 - QG2 ILE 56 far 4 81 5 - 3.2-5.4 QD1 LEU 42 - QG2 ILE 56 far 0 84 0 - 4.3-5.9 QG2 VAL 78 - QG2 ILE 56 far 0 100 0 - 4.3-5.4 QG1 VAL 5 - QG2 ILE 56 far 0 98 0 - 4.5-5.7 QG1 VAL 78 - QG2 ILE 56 far 0 75 0 - 5.4-6.5 QD2 LEU 14 - QG2 ILE 56 far 0 100 0 - 6.2-7.2 HG3 ARG 81 - QG2 ILE 56 far 0 85 0 - 6.5-7.9 QD1 LEU 14 - QG2 ILE 56 far 0 63 0 - 6.8-7.6 HG13 ILE 93 - QG2 ILE 56 far 0 79 0 - 7.6-8.4 QG2 ILE 93 - QG2 ILE 56 far 0 65 0 - 8.2-9.0 QD1 ILE 52 - QG2 ILE 56 far 0 92 0 - 8.7-10.7 QD2 LEU 27 - QG2 ILE 56 far 0 96 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 2575 from cnoeabs.peaks (0.71, 0.60, 16.63 ppm; 2.53 A): 4 out of 17 assignments used, quality = 1.00: HG13 ILE 56 + QG2 ILE 56 OK 86 100 100 86 2.0-3.1 3.2=50, 2.1/2596=25...(16) * QD1 ILE 56 + QG2 ILE 56 OK 82 100 100 82 1.8-3.3 3.0=58, 2593/4.0=11...(16) QD1 ILE 8 + QG2 ILE 56 OK 74 100 100 74 1.7-2.6 8313=31, 2.1/9325=15...(17) QG1 VAL 58 + QG2 ILE 56 OK 66 98 100 68 1.9-2.7 10225/2.1=14...(19) QG2 VAL 58 - QG2 ILE 56 poor 11 73 30 49 3.5-4.9 2.1/9324=11, ~10225=8...(16) QD1 LEU 64 - QG2 ILE 56 far 10 70 15 - 3.6-5.4 QD2 LEU 6 - QG2 ILE 56 far 5 91 5 - 3.2-5.4 QD1 LEU 42 - QG2 ILE 56 far 0 93 0 - 4.3-5.9 QG2 VAL 78 - QG2 ILE 56 far 0 97 0 - 4.3-5.4 QG1 VAL 5 - QG2 ILE 56 far 0 93 0 - 4.5-5.7 QG1 VAL 78 - QG2 ILE 56 far 0 61 0 - 5.4-6.5 QD2 LEU 14 - QG2 ILE 56 far 0 100 0 - 6.2-7.2 HG3 ARG 81 - QG2 ILE 56 far 0 73 0 - 6.5-7.9 QD1 LEU 14 - QG2 ILE 56 far 0 77 0 - 6.8-7.6 HG13 ILE 93 - QG2 ILE 56 far 0 65 0 - 7.6-8.4 QD1 ILE 52 - QG2 ILE 56 far 0 98 0 - 8.7-10.7 QD2 LEU 27 - QG2 ILE 56 far 0 90 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 2576 from cnoeabs.peaks (8.93, 0.60, 16.63 ppm; 3.62 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 57 + QG2 ILE 56 OK 100 100 100 100 2.1-3.0 4.1=68, 6930/3.2=63...(29) H VAL 5 - QG2 ILE 56 far 0 99 0 - 6.8-8.5 H ARG 19 - QG2 ILE 56 far 0 79 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 2577 from cnoeabs.peaks (9.19, 1.53, 27.60 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.0-4.6 4.9=83, 2585/1.8=74...(23) Violated in 0 structures by 0.00 A. Peak 2578 from cnoeabs.peaks (4.88, 1.53, 27.60 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.5-3.7 3.9=100 HA THR 31 - HG12 ILE 56 far 0 99 0 - 8.2-10.4 HA ARG 30 - HG12 ILE 56 far 0 75 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 2579 from cnoeabs.peaks (1.76, 1.53, 27.60 ppm; 3.97 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.3-3.0 2.9=100 HB VAL 78 + HG12 ILE 56 OK 88 95 100 93 2.6-5.1 9686=43, 2587/1.8=32...(17) HD2 ARG 81 - HG12 ILE 56 far 0 61 0 - 8.0-10.6 HB3 GLU 63 - HG12 ILE 56 far 0 96 0 - 8.1-9.9 HB2 LYS 66 - HG12 ILE 56 far 0 100 0 - 8.6-10.7 HB2 LYS 39 - HG12 ILE 56 far 0 68 0 - 8.8-12.6 HB3 LYS 82 - HG12 ILE 56 far 0 100 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 2580 from cnoeabs.peaks (0.60, 1.53, 27.60 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.1-3.2 3.2=100 QD1 ILE 7 - HG12 ILE 56 far 0 91 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 2581 from cnoeabs.peaks (1.53, 1.53, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 Peak 2582 from cnoeabs.peaks (0.71, 1.53, 27.60 ppm; 2.82 A): 3 out of 17 assignments used, quality = 1.00: * HG13 ILE 56 + HG12 ILE 56 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 78 + HG12 ILE 56 OK 55 100 85 65 2.6-4.7 2.1/9686=16, 10196=12...(20) QD1 ILE 8 - HG12 ILE 56 poor 19 100 30 64 3.5-6.0 8313/3.2=18, ~10383=8...(15) QD1 LEU 42 - HG12 ILE 56 far 13 84 15 - 4.0-6.5 QD2 LEU 6 - HG12 ILE 56 far 12 81 15 - 3.0-6.0 QG1 VAL 78 - HG12 ILE 56 far 8 75 10 - 4.0-5.5 QG1 VAL 58 - HG12 ILE 56 far 0 100 0 - 4.5-5.8 QG1 VAL 5 - HG12 ILE 56 far 0 98 0 - 4.9-7.0 QD1 LEU 64 - HG12 ILE 56 far 0 82 0 - 5.4-7.4 QG2 VAL 58 - HG12 ILE 56 far 0 59 0 - 6.8-7.6 HG3 ARG 81 - HG12 ILE 56 far 0 85 0 - 7.1-10.1 QD1 ILE 52 - HG12 ILE 56 far 0 92 0 - 8.1-10.2 HG13 ILE 93 - HG12 ILE 56 far 0 79 0 - 9.0-10.8 QG2 ILE 93 - HG12 ILE 56 far 0 65 0 - 9.1-11.0 QD2 LEU 27 - HG12 ILE 56 far 0 96 0 - 9.2-11.9 QD2 LEU 14 - HG12 ILE 56 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2583 from cnoeabs.peaks (0.71, 1.53, 27.60 ppm; 2.89 A): 4 out of 16 assignments used, quality = 1.00: * QD1 ILE 56 + HG12 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 56 + HG12 ILE 56 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 VAL 78 + HG12 ILE 56 OK 55 97 85 66 2.6-4.7 2.1/9686=18, 10196=12...(20) QD1 ILE 8 + HG12 ILE 56 OK 20 100 30 67 3.5-6.0 8313/3.2=20, ~10383=9...(15) QD1 LEU 42 - HG12 ILE 56 poor 19 93 20 - 4.0-6.5 QD2 LEU 6 - HG12 ILE 56 poor 18 91 20 - 3.0-6.0 QG1 VAL 78 - HG12 ILE 56 far 6 61 10 - 4.0-5.5 QG1 VAL 58 - HG12 ILE 56 far 0 98 0 - 4.5-5.8 QG1 VAL 5 - HG12 ILE 56 far 0 93 0 - 4.9-7.0 QD1 LEU 64 - HG12 ILE 56 far 0 70 0 - 5.4-7.4 QG2 VAL 58 - HG12 ILE 56 far 0 73 0 - 6.8-7.6 HG3 ARG 81 - HG12 ILE 56 far 0 73 0 - 7.1-10.1 QD1 ILE 52 - HG12 ILE 56 far 0 98 0 - 8.1-10.2 HG13 ILE 93 - HG12 ILE 56 far 0 65 0 - 9.0-10.8 QD2 LEU 27 - HG12 ILE 56 far 0 90 0 - 9.2-11.9 QD2 LEU 14 - HG12 ILE 56 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2584 from cnoeabs.peaks (8.93, 1.53, 27.60 ppm; 4.93 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + HG12 ILE 56 OK 100 100 100 100 4.5-5.4 2576/3.2=85, 6930/3.9=84...(23) H VAL 5 - HG12 ILE 56 far 5 99 5 - 6.4-9.1 Violated in 16 structures by 0.24 A. Peak 2585 from cnoeabs.peaks (9.19, 0.71, 27.60 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.6-4.4 4.9=95, 2577/1.8=84...(18) Violated in 0 structures by 0.00 A. Peak 2586 from cnoeabs.peaks (4.88, 0.71, 27.60 ppm; 4.36 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.3-3.9 3.9=100 HA THR 31 - HG13 ILE 56 far 0 99 0 - 6.8-9.7 HA ARG 30 - HG13 ILE 56 far 0 75 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 2587 from cnoeabs.peaks (1.76, 0.71, 27.60 ppm; 4.10 A): 2 out of 6 assignments used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.5-3.0 2.9=100 HB VAL 78 + HG13 ILE 56 OK 78 95 90 92 3.4-5.9 9686/1.8=47...(20) HB2 LYS 66 - HG13 ILE 56 far 0 100 0 - 7.8-11.1 HB3 GLU 63 - HG13 ILE 56 far 0 96 0 - 8.0-9.7 HB2 LYS 39 - HG13 ILE 56 far 0 68 0 - 8.9-11.2 HD2 ARG 81 - HG13 ILE 56 far 0 61 0 - 9.1-10.4 Violated in 0 structures by 0.00 A. Peak 2588 from cnoeabs.peaks (0.60, 0.71, 27.60 ppm; 3.89 A): 1 out of 2 assignments used, quality = 1.00: * QG2 ILE 56 + HG13 ILE 56 OK 100 100 100 100 2.0-3.1 3.2=100 QD1 ILE 7 - HG13 ILE 56 far 0 91 0 - 6.4-8.7 Violated in 0 structures by 0.00 A. Peak 2589 from cnoeabs.peaks (1.53, 0.71, 27.60 ppm; 3.25 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 56 + HG13 ILE 56 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 6 + HG13 ILE 56 OK 65 100 70 93 2.2-5.9 3.0/10676=28...(24) HG3 ARG 79 - HG13 ILE 56 far 0 100 0 - 6.0-9.4 HB ILE 7 - HG13 ILE 56 far 0 99 0 - 6.6-9.6 HG2 ARG 79 - HG13 ILE 56 far 0 100 0 - 6.6-10.2 HG LEU 57 - HG13 ILE 56 far 0 77 0 - 7.7-9.2 HG3 ARG 30 - HG13 ILE 56 far 0 100 0 - 8.4-12.0 HG3 LYS 66 - HG13 ILE 56 far 0 61 0 - 9.4-12.3 HG2 LYS 66 - HG13 ILE 56 far 0 57 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 2590 from cnoeabs.peaks (0.71, 0.71, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 Peak 2591 from cnoeabs.peaks (0.71, 0.71, 27.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 Reference assignment not found: QD1 ILE 56 - HG13 ILE 56 Peak 2592 from cnoeabs.peaks (8.93, 0.71, 27.60 ppm; 5.18 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + HG13 ILE 56 OK 100 100 100 100 3.9-5.6 2576/3.2=90, 6930/3.9=88...(18) H VAL 5 - HG13 ILE 56 far 10 99 10 - 6.4-8.9 Violated in 14 structures by 0.18 A. Peak 2593 from cnoeabs.peaks (9.19, 0.71, 13.82 ppm; 4.59 A): 1 out of 5 assignments used, quality = 1.00: * H ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.0-4.5 5.0=77, 2577/2.1=73...(26) H ILE 56 - QD1 ILE 8 poor 20 98 25 82 5.4-7.0 4.0/2596=34, 3.0/2594=24...(10) H GLU 35 - QD1 ILE 8 poor 19 93 20 - 5.9-7.8 H GLU 35 - QD1 ILE 56 far 0 97 0 - 8.0-11.5 H THR 84 - QD1 ILE 8 far 0 94 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 2594 from cnoeabs.peaks (4.88, 0.71, 13.82 ppm; 4.77 A): 3 out of 6 assignments used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 100 100 1.9-3.9 4.2=100 HA ILE 56 + QD1 ILE 8 OK 94 98 100 96 3.2-5.2 3.2/2596=41, ~10383=32...(18) HA THR 31 + QD1 ILE 8 OK 49 96 95 53 5.1-6.3 6505/10514=35, ~12109=10...(7) HA THR 31 - QD1 ILE 56 far 5 99 5 - 5.3-9.1 HA ARG 30 - QD1 ILE 56 far 0 75 0 - 7.4-10.4 HA ARG 30 - QD1 ILE 8 far 0 70 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 2595 from cnoeabs.peaks (1.76, 0.71, 13.82 ppm; 3.37 A): 5 out of 23 assignments used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.2-3.2 3.2=100 HB3 GLU 63 + QD1 ILE 8 OK 86 92 100 93 2.4-4.0 1.8/8308=28...(27) HB ILE 56 + QD1 ILE 8 OK 77 98 90 88 3.7-5.0 2.1/2596=34, 2567=18...(19) HB VAL 78 + QD1 ILE 56 OK 74 95 95 83 1.8-5.2 9686/2.1=28, 2587/2.1=21...(20) HB2 LYS 66 + QD1 ILE 8 OK 23 97 50 48 4.4-6.2 2895/9520=11, 7069/328=9...(13) HB3 GLU 63 - QD1 ILE 56 far 0 96 0 - 6.0-8.9 HD3 LYS 33 - QD1 ILE 8 far 0 55 0 - 6.2-7.2 HD2 ARG 81 - QD1 ILE 56 far 0 61 0 - 6.2-9.2 HD2 LYS 33 - QD1 ILE 8 far 0 55 0 - 6.3-8.6 HB2 LYS 66 - QD1 ILE 56 far 0 100 0 - 7.0-9.4 HB VAL 78 - QD1 ILE 8 far 0 90 0 - 7.1-8.3 HB2 LYS 39 - QD1 ILE 56 far 0 68 0 - 7.3-10.2 HB2 LYS 39 - QD1 ILE 8 far 0 63 0 - 7.6-9.3 HD3 LYS 33 - QD1 ILE 56 far 0 59 0 - 7.7-12.1 HB2 GLU 28 - QD1 ILE 56 far 0 91 0 - 8.0-10.5 HB3 LYS 82 - QD1 ILE 8 far 0 98 0 - 8.1-9.0 HD2 LYS 33 - QD1 ILE 56 far 0 59 0 - 8.4-13.4 HD2 ARG 81 - QD1 ILE 8 far 0 57 0 - 8.6-10.0 HB3 LYS 82 - QD1 ILE 56 far 0 100 0 - 8.8-11.0 HB ILE 15 - QD1 ILE 8 far 0 65 0 - 8.9-10.4 HG3 ARG 46 - QD1 ILE 56 far 0 87 0 - 9.1-11.8 HG3 ARG 19 - QD1 ILE 8 far 0 97 0 - 9.4-13.6 HG3 ARG 19 - QD1 ILE 56 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 2596 from cnoeabs.peaks (0.60, 0.71, 13.82 ppm; 2.92 A): 2 out of 4 assignments used, quality = 1.00: * QG2 ILE 56 + QD1 ILE 56 OK 97 100 100 97 1.8-3.3 3.0=90, 2574/2.1=20...(22) QG2 ILE 56 + QD1 ILE 8 OK 80 98 100 83 1.7-2.6 2574=24, 9325/2.1=20...(21) QD1 ILE 7 - QD1 ILE 8 far 0 86 0 - 4.8-6.7 QD1 ILE 7 - QD1 ILE 56 far 0 91 0 - 5.5-7.6 Violated in 0 structures by 0.00 A. Peak 2597 from cnoeabs.peaks (1.53, 0.71, 13.82 ppm; 3.19 A): 3 out of 30 assignments used, quality = 1.00: * HG12 ILE 56 + QD1 ILE 56 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 6 + QD1 ILE 56 OK 78 100 85 92 1.9-6.4 2589/2.1=24, 214=24...(25) HG12 ILE 56 + QD1 ILE 8 OK 22 98 30 75 3.5-6.0 3.2/2596=23, ~10383=11...(17) HG2 ARG 79 - QD1 ILE 56 far 10 100 10 - 3.5-9.5 HG3 ARG 79 - QD1 ILE 56 far 5 100 5 - 4.6-8.6 HG3 LYS 66 - QD1 ILE 8 far 3 57 5 - 4.6-7.3 HG2 LYS 66 - QD1 ILE 8 far 3 53 5 - 4.6-7.8 HG LEU 6 - QD1 ILE 8 far 0 97 0 - 4.8-6.5 HB ILE 7 - QD1 ILE 8 far 0 96 0 - 4.9-6.8 HB ILE 7 - QD1 ILE 56 far 0 99 0 - 5.9-8.6 HG LEU 57 - QD1 ILE 8 far 0 72 0 - 6.2-8.6 HG3 LYS 33 - QD1 ILE 8 far 0 77 0 - 6.2-7.8 HG LEU 57 - QD1 ILE 56 far 0 77 0 - 6.6-7.8 HB3 LEU 103 - QD1 ILE 56 far 0 99 0 - 6.8-13.8 HG3 ARG 30 - QD1 ILE 56 far 0 100 0 - 6.9-10.6 HD3 LYS 53 - QD1 ILE 56 far 0 91 0 - 7.2-11.4 HG2 LYS 33 - QD1 ILE 8 far 0 90 0 - 7.6-9.0 HD3 LYS 82 - QD1 ILE 8 far 0 63 0 - 7.7-9.2 HB3 GLU 28 - QD1 ILE 56 far 0 73 0 - 8.0-10.8 HG3 LYS 33 - QD1 ILE 56 far 0 82 0 - 8.0-12.0 HB2 LEU 3 - QD1 ILE 56 far 0 90 0 - 8.0-10.9 HG3 LYS 66 - QD1 ILE 56 far 0 61 0 - 8.5-10.7 HG2 ARG 79 - QD1 ILE 8 far 0 97 0 - 8.6-11.4 HG3 ARG 30 - QD1 ILE 8 far 0 98 0 - 8.7-10.1 HG2 LYS 66 - QD1 ILE 56 far 0 57 0 - 8.9-10.9 HG3 ARG 79 - QD1 ILE 8 far 0 97 0 - 9.0-11.4 HG2 LYS 33 - QD1 ILE 56 far 0 95 0 - 9.4-13.5 HG2 LYS 73 - QD1 ILE 56 far 0 59 0 - 9.6-12.2 HB2 LEU 14 - QD1 ILE 8 far 0 96 0 - 9.6-11.4 HG LEU 2 - QD1 ILE 56 far 0 96 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 2598 from cnoeabs.peaks (0.71, 0.71, 13.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QD1 ILE 56 + QD1 ILE 56 OK 100 100 - 100 QD1 ILE 8 + QD1 ILE 8 OK 97 97 - 100 Reference assignment not found: HG13 ILE 56 - QD1 ILE 56 Peak 2599 from cnoeabs.peaks (0.71, 0.71, 13.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 56 + QD1 ILE 56 OK 100 100 - 100 QD1 ILE 8 + QD1 ILE 8 OK 97 97 - 100 Peak 2600 from cnoeabs.peaks (8.93, 0.71, 13.82 ppm; 4.96 A): 3 out of 5 assignments used, quality = 1.00: * H LEU 57 + QD1 ILE 56 OK 100 100 100 100 3.6-5.4 2576/3.0=88, 6930/4.2=80...(24) H LEU 57 + QD1 ILE 8 OK 95 98 100 98 2.9-5.2 8292/5.0=53...(20) H VAL 5 + QD1 ILE 56 OK 36 99 65 56 5.0-8.0 ~9306=18, 4.7/9314=16...(11) H VAL 5 - QD1 ILE 8 far 0 95 0 - 8.5-10.1 H ARG 19 - QD1 ILE 8 far 0 74 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 2601 from cnoeabs.peaks (8.93, 5.39, 52.09 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 57 + HA LEU 57 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2602 from cnoeabs.peaks (5.39, 5.39, 52.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HA LEU 57 OK 100 100 - 100 Peak 2603 from cnoeabs.peaks (1.20, 5.39, 52.09 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 57 + HA LEU 57 OK 100 100 100 100 2.3-2.6 2.9=100 QB ALA 18 - HA LEU 57 far 0 73 0 - 6.2-7.2 HB2 LEU 6 - HA LEU 57 far 0 96 0 - 6.4-7.6 HB2 LEU 29 - HA LEU 57 far 0 65 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 2604 from cnoeabs.peaks (1.82, 5.39, 52.09 ppm; 4.37 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 57 + HA LEU 57 OK 100 100 100 100 3.0-3.0 2.9=100 HB2 GLU 88 - HA LEU 57 far 0 96 0 - 6.7-9.0 HB VAL 5 - HA LEU 57 far 0 63 0 - 8.3-9.4 HB2 LYS 68 - HA LEU 57 far 0 97 0 - 8.4-11.6 HB ILE 93 - HA LEU 57 far 0 91 0 - 9.1-10.0 HB2 GLU 104 - HA LEU 57 far 0 96 0 - 9.7-18.4 HB2 LYS 90 - HA LEU 57 far 0 98 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 2605 from cnoeabs.peaks (1.50, 5.39, 52.09 ppm; 4.46 A): 2 out of 10 assignments used, quality = 1.00: * HG LEU 57 + HA LEU 57 OK 100 100 100 100 3.7-3.8 4.3=100 HB3 LEU 64 + HA LEU 57 OK 58 99 75 78 5.2-6.4 9477/10705=31...(12) HG12 ILE 56 - HA LEU 57 far 0 77 0 - 6.2-6.9 HB ILE 7 - HA LEU 57 far 0 91 0 - 6.6-6.9 HG2 ARG 79 - HA LEU 57 far 0 71 0 - 7.0-10.5 HG LEU 64 - HA LEU 57 far 0 91 0 - 7.4-8.4 HG3 ARG 79 - HA LEU 57 far 0 70 0 - 7.7-10.4 HG LEU 6 - HA LEU 57 far 0 87 0 - 7.7-9.4 HB3 LEU 103 - HA LEU 57 far 0 90 0 - 8.5-17.2 HB2 LEU 14 - HA LEU 57 far 0 91 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 2606 from cnoeabs.peaks (0.80, 5.39, 52.09 ppm; 3.40 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 57 + HA LEU 57 OK 99 100 100 99 2.1-3.4 2.1/2642=72, 4.0=60...(22) QD1 LEU 57 + HA LEU 57 OK 71 73 100 97 1.9-2.4 2642=65, 2648/6945=30...(23) QD2 LEU 103 - HA LEU 57 far 0 75 0 - 5.9-17.2 QD1 ILE 93 - HA LEU 57 far 0 84 0 - 6.1-7.3 QG2 ILE 7 - HA LEU 57 far 0 100 0 - 6.3-6.7 QG2 ILE 8 - HA LEU 57 far 0 99 0 - 6.6-7.3 QG2 VAL 32 - HA LEU 57 far 0 65 0 - 6.8-7.9 QD2 LEU 38 - HA LEU 57 far 0 82 0 - 7.1-9.0 QD1 LEU 6 - HA LEU 57 far 0 85 0 - 7.1-8.2 QG1 VAL 54 - HA LEU 57 far 0 70 0 - 7.9-8.6 QD1 ILE 15 - HA LEU 57 far 0 65 0 - 8.4-9.3 QD2 LEU 42 - HA LEU 57 far 0 79 0 - 8.5-9.8 QG2 ILE 15 - HA LEU 57 far 0 97 0 - 8.7-9.6 QD1 LEU 27 - HA LEU 57 far 0 82 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2607 from cnoeabs.peaks (0.83, 5.39, 52.09 ppm; 3.36 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 57 + HA LEU 57 OK 100 100 100 100 1.9-2.4 2642=100, 2648/6945=45...(24) QD2 LEU 57 + HA LEU 57 OK 72 73 100 98 2.1-3.4 2.1/2642=71, 4.0=58...(22) QD1 LEU 103 - HA LEU 57 far 0 63 0 - 5.6-16.5 QD2 LEU 103 - HA LEU 57 far 0 100 0 - 5.9-17.2 QG2 ILE 7 - HA LEU 57 far 0 79 0 - 6.3-6.7 QD2 LEU 64 - HA LEU 57 far 0 68 0 - 6.5-7.4 QG2 VAL 32 - HA LEU 57 far 0 100 0 - 6.8-7.9 QD1 LEU 38 - HA LEU 57 far 0 71 0 - 7.0-10.3 QD2 LEU 38 - HA LEU 57 far 0 100 0 - 7.1-9.0 QG2 ILE 15 - HA LEU 57 far 0 94 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 2608 from cnoeabs.peaks (8.54, 5.39, 52.09 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 58 + HA LEU 57 OK 100 100 100 100 2.2-2.2 6945=100, 2648/2642=38...(20) Violated in 0 structures by 0.00 A. Peak 2609 from cnoeabs.peaks (8.93, 1.20, 42.45 ppm; 4.41 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 57 + HB2 LEU 57 OK 100 100 100 100 3.6-3.8 3.9=100 H ARG 19 - HB2 LEU 57 far 0 79 0 - 8.3-10.3 Violated in 0 structures by 0.00 A. Peak 2610 from cnoeabs.peaks (5.39, 1.20, 42.45 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HB2 LEU 57 OK 100 100 100 100 2.3-2.6 2.9=100 Violated in 0 structures by 0.00 A. Peak 2611 from cnoeabs.peaks (1.20, 1.20, 42.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 57 + HB2 LEU 57 OK 100 100 - 100 Peak 2612 from cnoeabs.peaks (1.82, 1.20, 42.45 ppm; 3.35 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 57 + HB2 LEU 57 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 88 - HB2 LEU 57 far 0 96 0 - 5.1-7.7 HB2 LYS 90 - HB2 LEU 57 far 0 98 0 - 7.7-9.5 HB ILE 93 - HB2 LEU 57 far 0 91 0 - 7.7-8.4 HB VAL 5 - HB2 LEU 57 far 0 63 0 - 7.9-8.8 HB3 LYS 90 - HB2 LEU 57 far 0 99 0 - 8.5-10.0 HB2 GLU 104 - HB2 LEU 57 far 0 96 0 - 10.0-19.2 Violated in 0 structures by 0.00 A. Peak 2613 from cnoeabs.peaks (1.50, 1.20, 42.45 ppm; 4.18 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 57 + HB2 LEU 57 OK 100 100 100 100 2.3-2.6 3.0=100 HB ILE 7 + HB2 LEU 57 OK 68 91 75 100 5.1-5.9 8277/1.8=59, 3.0/9345=50...(37) HB2 LEU 14 - HB2 LEU 57 far 0 91 0 - 6.5-8.1 HB3 LEU 64 - HB2 LEU 57 far 0 99 0 - 7.3-8.3 HG12 ILE 56 - HB2 LEU 57 far 0 77 0 - 8.1-8.8 HB2 ARG 91 - HB2 LEU 57 far 0 96 0 - 8.5-10.2 HG LEU 6 - HB2 LEU 57 far 0 87 0 - 8.7-10.4 HG3 ARG 79 - HB2 LEU 57 far 0 70 0 - 8.9-12.0 HG2 ARG 79 - HB2 LEU 57 far 0 71 0 - 9.1-12.2 HB3 LEU 103 - HB2 LEU 57 far 0 90 0 - 9.5-17.6 HG LEU 64 - HB2 LEU 57 far 0 91 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 2614 from cnoeabs.peaks (0.80, 1.20, 42.45 ppm; 3.42 A): 2 out of 14 assignments used, quality = 1.00: * QD2 LEU 57 + HB2 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 QD1 LEU 57 + HB2 LEU 57 OK 73 73 100 100 2.1-2.5 3.1=100 QD1 ILE 93 - HB2 LEU 57 far 13 84 15 - 4.8-5.8 QG2 ILE 7 - HB2 LEU 57 far 0 100 0 - 5.1-6.1 QD1 ILE 15 - HB2 LEU 57 far 0 65 0 - 6.8-8.5 QD2 LEU 103 - HB2 LEU 57 far 0 75 0 - 7.0-17.6 QG2 ILE 15 - HB2 LEU 57 far 0 97 0 - 7.1-8.7 QG2 ILE 8 - HB2 LEU 57 far 0 99 0 - 7.2-7.9 QG2 VAL 32 - HB2 LEU 57 far 0 65 0 - 7.2-8.5 QD1 LEU 6 - HB2 LEU 57 far 0 85 0 - 7.8-8.6 QD2 LEU 38 - HB2 LEU 57 far 0 82 0 - 8.3-10.4 QG1 VAL 54 - HB2 LEU 57 far 0 70 0 - 8.8-9.5 QD1 LEU 27 - HB2 LEU 57 far 0 82 0 - 9.3-10.3 QD2 LEU 42 - HB2 LEU 57 far 0 79 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 2615 from cnoeabs.peaks (0.83, 1.20, 42.45 ppm; 3.59 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 57 + HB2 LEU 57 OK 100 100 100 100 2.1-2.5 3.1=100 QD2 LEU 57 + HB2 LEU 57 OK 73 73 100 100 3.1-3.2 3.1=100 QG2 ILE 7 - HB2 LEU 57 far 0 79 0 - 5.1-6.1 QD1 LEU 103 - HB2 LEU 57 far 0 63 0 - 6.4-16.8 QD2 LEU 103 - HB2 LEU 57 far 0 100 0 - 7.0-17.6 QG2 ILE 15 - HB2 LEU 57 far 0 94 0 - 7.1-8.7 QG2 VAL 32 - HB2 LEU 57 far 0 100 0 - 7.2-8.5 QD1 LEU 38 - HB2 LEU 57 far 0 71 0 - 8.0-11.8 QD2 LEU 64 - HB2 LEU 57 far 0 68 0 - 8.0-9.0 QD2 LEU 38 - HB2 LEU 57 far 0 100 0 - 8.3-10.4 Violated in 0 structures by 0.00 A. Peak 2616 from cnoeabs.peaks (8.54, 1.20, 42.45 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 58 + HB2 LEU 57 OK 100 100 100 100 3.7-4.0 4.6=100 Violated in 0 structures by 0.00 A. Peak 2617 from cnoeabs.peaks (8.93, 1.82, 42.45 ppm; 4.27 A): 1 out of 3 assignments used, quality = 1.00: * H LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.4-2.8 3.9=100 H ARG 19 - HB3 LEU 57 far 0 79 0 - 7.6-8.9 H VAL 5 - HB3 LEU 57 far 0 99 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 2618 from cnoeabs.peaks (5.39, 1.82, 42.45 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HB3 LEU 57 OK 100 100 100 100 3.0-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 2619 from cnoeabs.peaks (1.20, 1.82, 42.45 ppm; 3.39 A): 2 out of 4 assignments used, quality = 1.00: * HB2 LEU 57 + HB3 LEU 57 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 18 + HB3 LEU 57 OK 47 73 100 64 4.0-4.7 8278/8287=11...(18) HB2 LEU 6 - HB3 LEU 57 far 0 96 0 - 5.5-6.7 HB2 LEU 29 - HB3 LEU 57 far 0 65 0 - 6.9-8.8 Violated in 0 structures by 0.00 A. Peak 2620 from cnoeabs.peaks (1.82, 1.82, 42.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 57 + HB3 LEU 57 OK 100 100 - 100 Peak 2621 from cnoeabs.peaks (1.50, 1.82, 42.45 ppm; 4.08 A): 2 out of 11 assignments used, quality = 1.00: * HG LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.3-2.5 3.0=100 HB ILE 7 + HB3 LEU 57 OK 91 91 100 100 3.8-4.3 8277=62, 3.0/8272=61...(38) HG12 ILE 56 - HB3 LEU 57 far 0 77 0 - 6.8-7.9 HG LEU 6 - HB3 LEU 57 far 0 87 0 - 7.2-9.0 HB2 LEU 14 - HB3 LEU 57 far 0 91 0 - 7.3-8.3 HB3 LEU 64 - HB3 LEU 57 far 0 99 0 - 7.9-9.1 HG2 ARG 79 - HB3 LEU 57 far 0 71 0 - 8.7-11.7 HB2 ARG 91 - HB3 LEU 57 far 0 96 0 - 9.4-10.8 HB3 LEU 103 - HB3 LEU 57 far 0 90 0 - 9.5-18.0 HG3 ARG 79 - HB3 LEU 57 far 0 70 0 - 9.8-11.8 HG3 ARG 30 - HB3 LEU 57 far 0 79 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 2622 from cnoeabs.peaks (0.80, 1.82, 42.45 ppm; 3.49 A): 4 out of 14 assignments used, quality = 1.00: * QD2 LEU 57 + HB3 LEU 57 OK 100 100 100 100 2.1-2.6 3.1=100 QG2 ILE 7 + HB3 LEU 57 OK 100 100 100 100 4.4-4.8 3.0/8272=45, 2.1/8277=41...(38) QD1 LEU 57 + HB3 LEU 57 OK 73 73 100 100 3.1-3.2 3.1=100 QD1 ILE 93 + HB3 LEU 57 OK 50 84 85 70 4.1-5.1 2630/3.0=13, 4164=12...(20) QG2 VAL 32 - HB3 LEU 57 far 0 65 0 - 6.3-7.3 QG2 ILE 15 - HB3 LEU 57 far 0 97 0 - 6.3-7.4 QD1 LEU 6 - HB3 LEU 57 far 0 85 0 - 6.5-7.3 QD1 ILE 15 - HB3 LEU 57 far 0 65 0 - 6.7-7.6 QG2 ILE 8 - HB3 LEU 57 far 0 99 0 - 6.8-7.5 QD2 LEU 103 - HB3 LEU 57 far 0 75 0 - 7.0-17.8 QD2 LEU 38 - HB3 LEU 57 far 0 82 0 - 7.4-9.9 QG1 VAL 54 - HB3 LEU 57 far 0 70 0 - 7.7-8.4 QD1 LEU 27 - HB3 LEU 57 far 0 82 0 - 8.4-9.3 QD2 LEU 42 - HB3 LEU 57 far 0 79 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 2623 from cnoeabs.peaks (0.83, 1.82, 42.45 ppm; 3.68 A): 3 out of 10 assignments used, quality = 1.00: * QD1 LEU 57 + HB3 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 QG2 ILE 7 + HB3 LEU 57 OK 79 79 100 100 4.4-4.8 3.0/8272=50, 2.1/8277=47...(38) QD2 LEU 57 + HB3 LEU 57 OK 73 73 100 100 2.1-2.6 3.1=100 QG2 VAL 32 - HB3 LEU 57 far 0 100 0 - 6.3-7.3 QG2 ILE 15 - HB3 LEU 57 far 0 94 0 - 6.3-7.4 QD1 LEU 103 - HB3 LEU 57 far 0 63 0 - 6.8-17.2 QD2 LEU 103 - HB3 LEU 57 far 0 100 0 - 7.0-17.8 QD1 LEU 38 - HB3 LEU 57 far 0 71 0 - 7.3-11.1 QD2 LEU 38 - HB3 LEU 57 far 0 100 0 - 7.4-9.9 QD2 LEU 64 - HB3 LEU 57 far 0 68 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 2624 from cnoeabs.peaks (8.54, 1.82, 42.45 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 58 + HB3 LEU 57 OK 100 100 100 100 4.3-4.5 4.6=100 Violated in 0 structures by 0.00 A. Peak 2625 from cnoeabs.peaks (8.93, 1.50, 26.28 ppm; 4.54 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 57 + HG LEU 57 OK 100 100 100 100 4.1-4.4 6938/3.0=81, 4.9=79...(23) H VAL 5 + HG3 ARG 30 OK 31 51 90 67 4.4-6.7 10505/4.9=44...(10) H ARG 19 - HG LEU 57 far 0 79 0 - 7.6-9.4 H ARG 19 - HG3 ARG 30 far 0 36 0 - 8.4-9.5 H VAL 5 - HG LEU 57 far 0 99 0 - 8.6-9.3 H LEU 57 - HG3 ARG 30 far 0 53 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 2626 from cnoeabs.peaks (5.39, 1.50, 26.28 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 57 + HG LEU 57 OK 100 100 100 100 3.7-3.8 4.3=100 Violated in 0 structures by 0.00 A. Peak 2627 from cnoeabs.peaks (1.20, 1.50, 26.28 ppm; 4.54 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LEU 57 + HG LEU 57 OK 100 100 100 100 2.3-2.6 3.0=100 QB ALA 18 + HG LEU 57 OK 51 73 100 70 3.4-4.9 2619/3.0=27, 2643/2.1=14...(14) HB2 LEU 29 - HG3 ARG 30 poor 17 28 95 64 5.0-6.1 ~8720=16, 4.3/6486=14...(12) HB2 LEU 6 - HG3 ARG 30 far 7 47 15 - 5.9-7.7 HB2 LEU 29 - HG LEU 57 far 0 65 0 - 6.9-9.1 HB2 LEU 6 - HG LEU 57 far 0 96 0 - 7.2-8.3 QB ALA 18 - HG3 ARG 30 far 0 33 0 - 7.2-8.6 HG2 LYS 40 - HG3 ARG 30 far 0 26 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 2628 from cnoeabs.peaks (1.82, 1.50, 26.28 ppm; 4.43 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 57 + HG LEU 57 OK 100 100 100 100 2.3-2.5 3.0=100 HB ILE 93 + HG LEU 57 OK 53 91 70 84 5.4-6.2 ~9360=28, 10015/9268=27...(19) HB2 GLU 88 - HG LEU 57 far 5 96 5 - 5.7-7.9 HB VAL 5 - HG3 ARG 30 far 3 27 10 - 5.6-7.3 HB VAL 5 - HG LEU 57 far 0 63 0 - 6.2-7.1 HB2 LYS 90 - HG LEU 57 far 0 98 0 - 6.4-8.2 HB3 LYS 90 - HG LEU 57 far 0 99 0 - 7.3-8.5 HB2 GLU 104 - HG LEU 57 far 0 96 0 - 8.7-17.9 HB3 LEU 57 - HG3 ARG 30 far 0 53 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 2629 from cnoeabs.peaks (1.50, 1.50, 26.28 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 57 + HG LEU 57 OK 100 100 - 100 HG3 ARG 30 + HG3 ARG 30 OK 36 36 - 100 Peak 2630 from cnoeabs.peaks (0.80, 1.50, 26.28 ppm; 3.34 A): 3 out of 27 assignments used, quality = 1.00: * QD2 LEU 57 + HG LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 57 + HG LEU 57 OK 73 73 100 100 2.1-2.1 2.1=100 QD1 ILE 93 + HG LEU 57 OK 53 84 100 63 3.0-4.2 10021/10214=19...(17) QD1 LEU 6 - HG3 ARG 30 poor 16 40 40 - 3.9-6.0 QG1 VAL 54 - HG3 ARG 30 far 0 30 0 - 5.5-8.2 QD2 LEU 103 - HG LEU 57 far 0 75 0 - 5.6-16.0 QG2 VAL 32 - HG3 ARG 30 far 0 28 0 - 6.0-6.7 QG2 ILE 7 - HG LEU 57 far 0 100 0 - 6.1-6.6 QG2 ILE 7 - HG3 ARG 30 far 0 53 0 - 6.6-7.4 QG2 ILE 15 - HG3 ARG 30 far 0 49 0 - 6.8-8.0 QD2 LEU 42 - HG3 ARG 30 far 0 36 0 - 7.0-9.3 QD1 LEU 27 - HG LEU 57 far 0 82 0 - 7.4-8.4 QG2 ILE 15 - HG LEU 57 far 0 97 0 - 7.5-8.8 QD1 LEU 6 - HG LEU 57 far 0 85 0 - 7.7-8.7 QD2 LEU 38 - HG3 ARG 30 far 0 38 0 - 7.8-11.0 QD2 LEU 57 - HG3 ARG 30 far 0 53 0 - 7.8-10.3 QD1 ILE 93 - HG3 ARG 30 far 0 39 0 - 7.8-8.8 QD1 ILE 15 - HG LEU 57 far 0 65 0 - 8.0-9.3 QD1 LEU 27 - HG3 ARG 30 far 0 38 0 - 8.1-9.6 QG1 VAL 54 - HG LEU 57 far 0 70 0 - 8.1-8.8 QG2 VAL 32 - HG LEU 57 far 0 65 0 - 8.1-9.1 QG2 ILE 8 - HG LEU 57 far 0 99 0 - 8.8-9.5 QD2 LEU 2 - HG3 ARG 30 far 0 49 0 - 9.1-12.8 QD2 LEU 38 - HG LEU 57 far 0 82 0 - 9.1-11.4 QD2 LEU 42 - HG LEU 57 far 0 79 0 - 9.6-11.0 QD1 ILE 15 - HG3 ARG 30 far 0 28 0 - 9.8-11.0 QD1 ILE 76 - HG3 ARG 30 far 0 53 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2631 from cnoeabs.peaks (0.83, 1.50, 26.28 ppm; 3.35 A): 2 out of 18 assignments used, quality = 1.00: * QD1 LEU 57 + HG LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 57 + HG LEU 57 OK 73 73 100 100 2.1-2.1 2.1=100 QD1 LEU 103 - HG LEU 57 far 0 63 0 - 5.4-15.3 QD2 LEU 103 - HG LEU 57 far 0 100 0 - 5.6-16.0 QG2 VAL 32 - HG3 ARG 30 far 0 53 0 - 6.0-6.7 QG2 ILE 7 - HG LEU 57 far 0 79 0 - 6.1-6.6 QG2 ILE 7 - HG3 ARG 30 far 0 36 0 - 6.6-7.4 QG2 ILE 15 - HG3 ARG 30 far 0 46 0 - 6.8-8.0 QG2 ILE 15 - HG LEU 57 far 0 94 0 - 7.5-8.8 QD2 LEU 38 - HG3 ARG 30 far 0 53 0 - 7.8-11.0 QD2 LEU 57 - HG3 ARG 30 far 0 33 0 - 7.8-10.3 QD1 LEU 38 - HG3 ARG 30 far 0 31 0 - 7.9-11.0 QG2 VAL 32 - HG LEU 57 far 0 100 0 - 8.1-9.1 QD1 LEU 38 - HG LEU 57 far 0 71 0 - 8.9-12.5 QD2 LEU 2 - HG3 ARG 30 far 0 45 0 - 9.1-12.8 QD2 LEU 38 - HG LEU 57 far 0 100 0 - 9.1-11.4 QD2 LEU 64 - HG LEU 57 far 0 68 0 - 9.4-10.3 QD1 ILE 76 - HG3 ARG 30 far 0 38 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 2632 from cnoeabs.peaks (8.54, 1.50, 26.28 ppm; 5.54 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 58 + HG LEU 57 OK 100 100 100 100 5.6-5.8 2648/2.1=100...(12) Violated in 20 structures by 0.18 A. Peak 2633 from cnoeabs.peaks (8.93, 0.80, 25.48 ppm; 4.54 A): 4 out of 9 assignments used, quality = 1.00: * H LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.7 4.6=97, 2641/2.1=79...(30) H LEU 57 + QD1 LEU 6 OK 62 68 100 91 5.1-5.9 9333/4.6=49, 6937/3.1=36...(14) H VAL 5 + QD1 LEU 6 OK 60 64 100 93 3.4-5.9 6058/4.6=26, 8203/3.1=23...(18) H VAL 5 + QD2 LEU 57 OK 23 99 35 68 5.7-7.3 6055/9364=16...(10) H LEU 57 - QD2 LEU 38 far 6 64 10 - 5.5-8.0 H ARG 19 - QD2 LEU 57 far 0 79 0 - 6.9-8.7 H VAL 5 - QD2 LEU 38 far 0 61 0 - 8.1-11.3 H ARG 19 - QD1 LEU 6 far 0 46 0 - 8.2-10.8 H LEU 57 - QD1 LEU 70 far 0 61 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 2634 from cnoeabs.peaks (5.39, 0.80, 25.48 ppm; 5.04 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-3.4 4.0=100 HA LEU 57 - QD2 LEU 38 far 0 64 0 - 7.1-9.0 HA LEU 57 - QD1 LEU 6 far 0 68 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 2635 from cnoeabs.peaks (1.20, 0.80, 25.48 ppm; 3.34 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LEU 57 + QD2 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 HB2 LEU 6 + QD1 LEU 6 OK 61 61 100 100 2.0-3.2 3.1=100 QB ALA 18 + QD2 LEU 57 OK 26 73 75 48 3.6-5.1 2619/3.1=16, 2627/2.1=12...(12) HB2 LEU 6 - QD2 LEU 38 poor 14 57 25 - 3.4-6.4 QG2 THR 34 - QD2 LEU 38 far 5 53 10 - 4.5-7.2 HB2 LEU 6 - QD2 LEU 57 far 5 96 5 - 4.8-5.9 HB2 LEU 29 - QD2 LEU 57 far 3 65 5 - 4.7-8.3 HB2 LEU 29 - QD1 LEU 6 far 0 37 0 - 5.4-8.2 QG2 THR 34 - QD1 LEU 70 far 0 50 0 - 6.2-8.0 QB ALA 18 - QD1 LEU 6 far 0 42 0 - 6.2-8.3 HG2 LYS 40 - QD1 LEU 6 far 0 35 0 - 7.0-8.6 HG2 LYS 40 - QD2 LEU 38 far 0 32 0 - 7.5-9.5 QG2 THR 34 - QD1 LEU 6 far 0 56 0 - 7.5-9.7 HB2 LEU 6 - QD1 LEU 70 far 0 54 0 - 7.5-10.7 HG2 LYS 40 - QD1 LEU 70 far 0 30 0 - 7.6-9.5 HB2 LEU 57 - QD1 LEU 6 far 0 68 0 - 7.8-8.6 HB2 LEU 57 - QD2 LEU 38 far 0 64 0 - 8.3-10.4 QB ALA 18 - QD2 LEU 38 far 0 40 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 2636 from cnoeabs.peaks (1.82, 0.80, 25.48 ppm; 3.59 A): 5 out of 36 assignments used, quality = 1.00: * HB3 LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.6 3.1=100 HB2 LYS 39 + QD1 LEU 70 OK 43 45 100 97 1.8-4.0 3.0/10569=35, ~10822=27...(39) HB3 LYS 39 + QD1 LEU 70 OK 29 30 100 94 2.2-4.7 3.0/10569=35, ~10822=27...(24) HB VAL 5 + QD2 LEU 57 OK 26 63 60 68 4.1-6.1 2.1/9364=16...(15) HB3 LYS 66 + QD2 LEU 38 OK 22 34 85 77 2.1-6.4 3.0/9517=32, 3.0/9517=21...(19) HB2 LYS 39 - QD2 LEU 38 poor 17 47 35 - 4.6-6.4 HB3 LYS 66 - QD1 LEU 70 poor 16 32 50 - 3.5-5.8 HB ILE 93 - QD2 LEU 57 far 14 91 15 - 4.8-6.1 HB2 LEU 42 - QD1 LEU 6 far 6 60 10 - 4.9-7.1 HB2 LEU 42 - QD1 LEU 70 far 5 54 10 - 4.7-7.2 HB2 LEU 42 - QD2 LEU 38 far 3 57 5 - 4.9-8.0 HB VAL 5 - QD1 LEU 6 far 2 36 5 - 4.5-6.8 HB3 LYS 39 - QD2 LEU 38 far 0 32 0 - 5.3-7.4 HB2 GLU 88 - QD2 LEU 57 far 0 96 0 - 6.2-7.9 HB2 LYS 68 - QD2 LEU 38 far 0 59 0 - 6.4-9.1 HB3 LEU 57 - QD1 LEU 6 far 0 68 0 - 6.5-7.3 HB2 LYS 68 - QD1 LEU 70 far 0 56 0 - 6.5-8.5 HB2 LYS 39 - QD1 LEU 6 far 0 50 0 - 6.7-9.9 HB2 LYS 90 - QD2 LEU 57 far 0 98 0 - 6.9-8.5 HB3 LYS 39 - QD1 LEU 6 far 0 35 0 - 7.0-10.2 HB3 LYS 90 - QD2 LEU 57 far 0 99 0 - 7.1-8.5 HB3 LEU 57 - QD2 LEU 38 far 0 64 0 - 7.4-9.9 HB3 LYS 66 - QD1 LEU 6 far 0 36 0 - 7.5-10.7 HB2 LYS 68 - QD1 LEU 6 far 0 62 0 - 7.8-12.0 HB2 GLU 104 - QD2 LEU 57 far 0 96 0 - 7.9-15.0 HB2 LYS 68 - QD2 LEU 57 far 0 97 0 - 7.9-11.4 HG2 ARG 46 - QD1 LEU 6 far 0 68 0 - 8.1-11.3 HB2 LYS 53 - QD2 LEU 57 far 0 95 0 - 8.4-9.7 HG3 ARG 46 - QD1 LEU 6 far 0 36 0 - 8.4-12.4 HB2 LYS 53 - QD1 LEU 6 far 0 60 0 - 8.6-11.7 HG2 ARG 46 - QD1 LEU 70 far 0 61 0 - 8.8-11.1 HG2 ARG 46 - QD2 LEU 38 far 0 64 0 - 8.8-13.0 HB VAL 5 - QD2 LEU 38 far 0 34 0 - 8.9-11.9 HG3 ARG 46 - QD1 LEU 70 far 0 32 0 - 9.0-11.7 HG3 ARG 46 - QD2 LEU 38 far 0 34 0 - 9.4-13.8 HB ILE 93 - QD1 LEU 6 far 0 56 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 2637 from cnoeabs.peaks (1.50, 0.80, 25.48 ppm; 3.26 A): 5 out of 55 assignments used, quality = 1.00: * HG LEU 57 + QD2 LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 6 + QD1 LEU 6 OK 53 53 100 100 2.1-2.1 2.1=100 HB ILE 7 + QD2 LEU 57 OK 35 91 40 97 3.5-5.5 8277/3.1=27, 3.0/236=18...(34) HG3 LYS 66 + QD2 LEU 38 OK 32 62 65 79 2.5-7.8 9517=43, 1.8/9517=23...(22) HG12 ILE 56 + QD1 LEU 6 OK 27 45 70 85 2.2-6.5 ~10676=19, 2.1/324=19...(18) HG2 LYS 66 - QD2 LEU 38 poor 18 62 30 - 2.9-8.4 HG3 ARG 30 - QD1 LEU 6 poor 16 46 35 - 3.9-6.0 HG3 LYS 66 - QD1 LEU 70 far 9 59 15 - 2.1-6.5 HG2 LYS 66 - QD1 LEU 70 far 9 58 15 - 3.5-7.0 HG LEU 6 - QD2 LEU 38 far 7 49 15 - 3.2-7.8 HG12 ILE 56 - QD2 LEU 38 far 6 42 15 - 4.1-7.8 HG2 LYS 73 - QD1 LEU 70 far 3 59 5 - 4.3-7.3 HB ILE 7 - QD1 LEU 6 far 0 56 0 - 4.9-6.6 HG2 ARG 79 - QD2 LEU 57 far 0 71 0 - 4.9-7.7 HG12 ILE 56 - QD2 LEU 57 far 0 77 0 - 4.9-5.9 HG LEU 6 - QD2 LEU 57 far 0 87 0 - 5.3-7.0 HG3 LYS 33 - QD2 LEU 38 far 0 64 0 - 5.4-8.2 HB3 LEU 103 - QD2 LEU 57 far 0 90 0 - 5.5-13.0 HG3 ARG 79 - QD2 LEU 57 far 0 70 0 - 5.7-7.5 HB3 LEU 64 - QD2 LEU 57 far 0 99 0 - 6.0-8.3 HG12 ILE 56 - QD1 LEU 70 far 0 40 0 - 6.3-9.2 HD2 LYS 40 - QD1 LEU 6 far 0 36 0 - 6.3-10.6 HG3 LYS 33 - QD1 LEU 6 far 0 68 0 - 6.6-8.6 HD3 LYS 40 - QD1 LEU 6 far 0 37 0 - 6.8-9.9 HB3 LEU 64 - QD2 LEU 38 far 0 61 0 - 6.9-8.5 HG LEU 64 - QD2 LEU 38 far 0 53 0 - 7.0-9.0 HG LEU 6 - QD1 LEU 70 far 0 47 0 - 7.1-10.9 HD3 LYS 40 - QD1 LEU 70 far 0 33 0 - 7.1-9.3 HB ILE 7 - QD2 LEU 38 far 0 53 0 - 7.1-9.7 HD2 LYS 40 - QD2 LEU 38 far 0 34 0 - 7.3-10.4 HB2 ARG 91 - QD2 LEU 57 far 0 96 0 - 7.3-8.4 HG LEU 64 - QD2 LEU 57 far 0 91 0 - 7.7-9.7 HG LEU 57 - QD1 LEU 6 far 0 68 0 - 7.7-8.7 HD2 LYS 40 - QD1 LEU 70 far 0 32 0 - 7.7-9.6 HG3 ARG 30 - QD2 LEU 38 far 0 44 0 - 7.8-11.0 HG3 ARG 30 - QD2 LEU 57 far 0 79 0 - 7.8-10.3 HD3 LYS 40 - QD2 LEU 38 far 0 35 0 - 7.8-9.8 HG2 LYS 73 - QD2 LEU 38 far 0 62 0 - 7.9-11.3 HB2 LEU 14 - QD2 LEU 57 far 0 91 0 - 8.0-8.9 HG2 ARG 79 - QD1 LEU 6 far 0 41 0 - 8.1-12.3 HG3 LYS 66 - QD1 LEU 6 far 0 66 0 - 8.3-12.2 HB3 LEU 64 - QD1 LEU 6 far 0 64 0 - 8.5-10.6 HG LEU 64 - QD1 LEU 70 far 0 50 0 - 8.5-10.1 HG3 LYS 33 - QD1 LEU 70 far 0 61 0 - 8.5-11.0 HG3 LYS 53 - QD2 LEU 57 far 0 71 0 - 8.7-10.9 HG3 ARG 79 - QD1 LEU 6 far 0 40 0 - 8.9-11.7 HG LEU 64 - QD1 LEU 6 far 0 56 0 - 8.9-11.7 HG3 ARG 79 - QD2 LEU 38 far 0 37 0 - 8.9-13.3 HG2 ARG 79 - QD2 LEU 38 far 0 39 0 - 8.9-13.6 HG2 LYS 66 - QD1 LEU 6 far 0 65 0 - 9.0-12.7 HB3 LEU 64 - QD1 LEU 70 far 0 58 0 - 9.1-10.9 HG LEU 57 - QD2 LEU 38 far 0 64 0 - 9.1-11.4 HG2 LYS 53 - QD2 LEU 57 far 0 61 0 - 9.4-11.3 HG2 LYS 53 - QD1 LEU 6 far 0 35 0 - 9.7-13.2 HG LEU 2 - QD1 LEU 6 far 0 62 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 2638 from cnoeabs.peaks (0.80, 0.80, 25.48 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * QD2 LEU 57 + QD2 LEU 57 OK 100 100 - 100 QD1 LEU 6 + QD1 LEU 6 OK 51 51 - 100 QD1 LEU 70 + QD1 LEU 70 OK 51 51 - 100 QD2 LEU 38 + QD2 LEU 38 OK 46 46 - 100 Peak 2639 from cnoeabs.peaks (0.83, 0.80, 25.48 ppm; diagonal): 3 out of 3 assignments used, quality = 0.96: QD2 LEU 57 + QD2 LEU 57 OK 73 73 - 100 QD2 LEU 38 + QD2 LEU 38 OK 64 64 - 100 QD1 LEU 70 + QD1 LEU 70 OK 57 57 - 100 Reference assignment not found: QD1 LEU 57 - QD2 LEU 57 Peak 2640 from cnoeabs.peaks (8.54, 0.80, 25.48 ppm; 6.02 A): 1 out of 5 assignments used, quality = 1.00: * H VAL 58 + QD2 LEU 57 OK 100 100 100 100 3.9-4.9 2648/2.1=100...(16) H VAL 58 - QD2 LEU 38 poor 19 64 30 - 6.8-8.1 H VAL 58 - QD1 LEU 6 far 3 68 5 - 7.4-8.9 H ASP 61 - QD2 LEU 38 far 0 36 0 - 9.6-12.1 H VAL 58 - QD1 LEU 70 far 0 61 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 2641 from cnoeabs.peaks (8.93, 0.83, 23.91 ppm; 4.32 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 57 + QD1 LEU 57 OK 100 100 100 100 3.1-4.4 4.6=84, 3.0/2642=83...(20) H VAL 5 - QD1 LEU 57 far 0 99 0 - 7.5-9.5 H ARG 19 - QD1 LEU 57 far 0 79 0 - 8.2-9.6 H LEU 57 - QD2 LEU 70 far 0 58 0 - 9.9-12.5 Violated in 4 structures by 0.01 A. Peak 2642 from cnoeabs.peaks (5.39, 0.83, 23.91 ppm; 3.15 A): 1 out of 1 assignment used, quality = 0.97: * HA LEU 57 + QD1 LEU 57 OK 97 100 100 97 1.9-2.4 4.0=48, 6945/2648=39...(25) Violated in 0 structures by 0.00 A. Peak 2643 from cnoeabs.peaks (1.20, 0.83, 23.91 ppm; 3.42 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.1-2.5 3.1=100 QB ALA 18 - QD1 LEU 57 poor 18 73 55 44 4.5-5.7 2619/3.1=16, 2627/2.1=12...(8) HB2 LEU 6 - QD1 LEU 57 far 0 96 0 - 6.4-8.0 QG2 THR 34 - QD2 LEU 70 far 0 48 0 - 6.9-8.6 HB2 LEU 29 - QD1 LEU 57 far 0 65 0 - 7.2-9.6 HG2 LYS 40 - QD2 LEU 70 far 0 29 0 - 7.6-11.2 HB2 LEU 6 - QD2 LEU 70 far 0 52 0 - 8.3-11.2 Violated in 0 structures by 0.00 A. Peak 2644 from cnoeabs.peaks (1.82, 0.83, 23.91 ppm; 3.76 A): 4 out of 16 assignments used, quality = 1.00: * HB3 LEU 57 + QD1 LEU 57 OK 100 100 100 100 3.1-3.2 3.1=100 HB2 GLU 88 + QD1 LEU 57 OK 68 96 85 83 3.7-5.4 9822/9804=29...(12) HB2 LYS 39 + QD2 LEU 70 OK 37 43 90 96 2.0-5.3 ~10569=21, 8956/2.1=17...(39) HB3 LYS 39 + QD2 LEU 70 OK 24 29 90 92 3.4-5.7 ~10569=21, 1.8/8956=17...(25) HB3 LYS 66 - QD2 LEU 70 poor 6 30 20 - 4.4-6.0 HB2 LEU 42 - QD2 LEU 70 far 3 51 5 - 5.2-7.9 HB ILE 93 - QD1 LEU 57 far 0 91 0 - 5.6-6.5 HB2 GLU 104 - QD1 LEU 57 far 0 96 0 - 6.2-13.5 HB VAL 5 - QD1 LEU 57 far 0 63 0 - 6.3-7.9 HB2 LYS 68 - QD2 LEU 70 far 0 53 0 - 6.7-8.2 HB2 LYS 90 - QD1 LEU 57 far 0 98 0 - 6.8-8.6 HB3 LYS 90 - QD1 LEU 57 far 0 99 0 - 7.1-8.9 HB2 LYS 68 - QD1 LEU 57 far 0 97 0 - 8.3-11.5 HB2 LYS 53 - QD1 LEU 57 far 0 95 0 - 9.6-11.9 HG2 ARG 46 - QD2 LEU 70 far 0 58 0 - 9.6-11.6 HG3 ARG 46 - QD2 LEU 70 far 0 30 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 2645 from cnoeabs.peaks (1.50, 0.83, 23.91 ppm; 3.07 A): 2 out of 21 assignments used, quality = 1.00: * HG LEU 57 + QD1 LEU 57 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 LYS 73 + QD2 LEU 70 OK 31 56 70 78 3.3-6.5 10813/4.0=21...(17) HG3 LYS 66 - QD2 LEU 70 far 9 57 15 - 3.3-6.5 HG2 LYS 66 - QD2 LEU 70 far 3 56 5 - 4.6-6.5 HG12 ILE 56 - QD1 LEU 57 far 0 77 0 - 5.0-8.0 HG3 ARG 79 - QD1 LEU 57 far 0 70 0 - 5.2-7.9 HB3 LEU 103 - QD1 LEU 57 far 0 90 0 - 5.4-12.2 HB2 ARG 91 - QD1 LEU 57 far 0 96 0 - 5.6-7.1 HB3 LEU 64 - QD1 LEU 57 far 0 99 0 - 5.9-7.0 HG2 ARG 79 - QD1 LEU 57 far 0 71 0 - 5.9-8.2 HB ILE 7 - QD1 LEU 57 far 0 91 0 - 6.0-6.7 HG12 ILE 56 - QD2 LEU 70 far 0 38 0 - 6.2-10.2 HB2 LEU 14 - QD1 LEU 57 far 0 91 0 - 6.7-9.0 HD3 LYS 40 - QD2 LEU 70 far 0 31 0 - 7.2-11.7 HG LEU 6 - QD1 LEU 57 far 0 87 0 - 7.3-9.1 HG LEU 64 - QD1 LEU 57 far 0 91 0 - 7.5-8.7 HD2 LYS 40 - QD2 LEU 70 far 0 30 0 - 8.0-11.5 HG LEU 64 - QD2 LEU 70 far 0 48 0 - 8.5-9.9 HG LEU 6 - QD2 LEU 70 far 0 45 0 - 8.6-11.3 HG3 LYS 33 - QD2 LEU 70 far 0 58 0 - 9.0-11.8 HB3 LEU 64 - QD2 LEU 70 far 0 55 0 - 9.1-11.0 Violated in 0 structures by 0.00 A. Peak 2646 from cnoeabs.peaks (0.80, 0.83, 23.91 ppm; diagonal): 2 out of 2 assignments used, quality = 0.88: QD1 LEU 57 + QD1 LEU 57 OK 73 73 - 100 QD2 LEU 70 + QD2 LEU 70 OK 55 55 - 100 Reference assignment not found: QD2 LEU 57 - QD1 LEU 57 Peak 2647 from cnoeabs.peaks (0.83, 0.83, 23.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 57 + QD1 LEU 57 OK 100 100 - 100 QD2 LEU 70 + QD2 LEU 70 OK 49 49 - 100 Peak 2648 from cnoeabs.peaks (8.54, 0.83, 23.91 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 58 + QD1 LEU 57 OK 100 100 100 100 3.6-4.0 6945/2642=71, 6950=58...(14) H ASP 61 - QD1 LEU 57 far 0 68 0 - 9.9-10.9 Violated in 4 structures by 0.01 A. Peak 2649 from cnoeabs.peaks (8.54, 5.25, 58.24 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 58 + HA VAL 58 OK 100 100 100 100 2.9-2.9 3.0=100 H ASP 61 - HA VAL 58 far 0 68 0 - 8.4-8.6 Violated in 0 structures by 0.00 A. Peak 2650 from cnoeabs.peaks (5.25, 5.25, 58.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + HA VAL 58 OK 100 100 - 100 Peak 2651 from cnoeabs.peaks (2.60, 5.25, 58.24 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + HA VAL 58 OK 100 100 100 100 2.3-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2652 from cnoeabs.peaks (0.68, 5.25, 58.24 ppm; 3.66 A): 2 out of 10 assignments used, quality = 1.00: * QG2 VAL 58 + HA VAL 58 OK 100 100 100 100 3.2-3.2 3.2=100 QD1 ILE 8 + HA VAL 58 OK 69 70 100 99 2.7-4.4 3.2/9374=54, 3.0/8302=41...(35) QD2 LEU 14 - HA VAL 58 poor 14 71 85 23 4.2-5.3 6098/8298=8...(5) QD1 LEU 14 - HA VAL 58 far 10 100 10 - 5.0-5.9 QD1 ILE 56 - HA VAL 58 far 0 73 0 - 5.8-7.7 QD1 LEU 29 - HA VAL 58 far 0 90 0 - 6.8-9.0 HG13 ILE 56 - HA VAL 58 far 0 59 0 - 6.9-8.6 QD2 LEU 29 - HA VAL 58 far 0 71 0 - 7.2-9.0 QD2 LEU 6 - HA VAL 58 far 0 99 0 - 7.9-8.9 QD1 LEU 42 - HA VAL 58 far 0 98 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 2653 from cnoeabs.peaks (0.72, 5.25, 58.24 ppm; 3.21 A): 2 out of 13 assignments used, quality = 1.00: * QG1 VAL 58 + HA VAL 58 OK 100 100 100 100 2.3-2.5 3.2=100 QD1 ILE 8 + HA VAL 58 OK 96 99 100 97 2.7-4.4 3.2/9374=42, 3.0/8302=30...(34) QD2 LEU 14 - HA VAL 58 poor 5 98 25 22 4.2-5.3 6098/8298=8...(6) QD1 LEU 64 - HA VAL 58 far 0 91 0 - 5.7-6.8 QD1 ILE 56 - HA VAL 58 far 0 98 0 - 5.8-7.7 QD1 ILE 15 - HA VAL 58 far 0 59 0 - 6.1-7.1 HG13 ILE 15 - HA VAL 58 far 0 70 0 - 6.6-7.9 HG13 ILE 56 - HA VAL 58 far 0 100 0 - 6.9-8.6 QG1 VAL 5 - HA VAL 58 far 0 100 0 - 7.4-8.3 QD2 LEU 6 - HA VAL 58 far 0 70 0 - 7.9-8.9 QG2 VAL 78 - HA VAL 58 far 0 100 0 - 9.4-10.6 HG3 ARG 81 - HA VAL 58 far 0 93 0 - 9.5-10.6 QD1 LEU 42 - HA VAL 58 far 0 73 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 2654 from cnoeabs.peaks (8.80, 5.25, 58.24 ppm; 3.27 A): 2 out of 3 assignments used, quality = 1.00: * H SER 59 + HA VAL 58 OK 100 100 100 100 2.6-2.7 6958=100, 6959/3.0=50...(16) H ILE 8 + HA VAL 58 OK 97 100 100 97 2.2-2.6 8298=64, 6094/9374=41...(18) H ARG 81 - HA VAL 58 far 0 59 0 - 5.7-7.0 Violated in 0 structures by 0.00 A. Peak 2655 from cnoeabs.peaks (8.54, 2.60, 33.16 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 58 + HB VAL 58 OK 100 100 100 100 3.7-3.8 4.0=100 H ASP 61 + HB VAL 58 OK 63 68 100 93 6.2-6.6 4.6/9410=69, ~9448=31...(9) Violated in 0 structures by 0.00 A. Peak 2656 from cnoeabs.peaks (5.25, 2.60, 33.16 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + HB VAL 58 OK 100 100 100 100 2.3-2.5 3.0=100 Violated in 0 structures by 0.00 A. Peak 2657 from cnoeabs.peaks (2.60, 2.60, 33.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 58 + HB VAL 58 OK 100 100 - 100 HG3 MET 74 + HG3 MET 74 OK 50 50 - 100 Peak 2658 from cnoeabs.peaks (0.68, 2.60, 33.16 ppm; 3.39 A): 3 out of 17 assignments used, quality = 1.00: * QG2 VAL 58 + HB VAL 58 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 8 + HB VAL 58 OK 69 70 100 99 2.9-4.2 2670/2.1=33, 3.2/8301=29...(35) QD1 LEU 42 + HG3 MET 74 OK 56 61 100 91 1.8-4.1 9605/3.4=43, 9615/1.8=27...(21) QG2 VAL 54 - HG3 MET 74 far 0 54 0 - 5.9-7.0 QD2 LEU 14 - HB VAL 58 far 0 71 0 - 5.9-7.1 QD1 ILE 56 - HB VAL 58 far 0 73 0 - 6.1-8.2 QD1 ILE 52 - HG3 MET 74 far 0 56 0 - 6.6-8.9 QD1 ILE 56 - HG3 MET 74 far 0 41 0 - 6.6-8.4 QD1 LEU 14 - HB VAL 58 far 0 100 0 - 6.8-7.6 HG13 ILE 56 - HB VAL 58 far 0 59 0 - 7.6-9.4 HG13 ILE 56 - HG3 MET 74 far 0 32 0 - 7.8-10.8 QD2 LEU 6 - HG3 MET 74 far 0 63 0 - 8.1-10.2 QD1 LEU 29 - HB VAL 58 far 0 90 0 - 8.5-10.9 QD2 LEU 6 - HB VAL 58 far 0 99 0 - 8.6-10.0 QD1 ILE 8 - HG3 MET 74 far 0 39 0 - 9.0-10.8 QD2 LEU 29 - HB VAL 58 far 0 71 0 - 9.0-10.9 QD1 LEU 42 - HB VAL 58 far 0 98 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 2659 from cnoeabs.peaks (0.72, 2.60, 33.16 ppm; 3.25 A): 3 out of 20 assignments used, quality = 1.00: * QG1 VAL 58 + HB VAL 58 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 8 + HB VAL 58 OK 97 99 100 98 2.9-4.2 3.2/8301=26, 2653/3.0=24...(35) QD1 LEU 42 + HG3 MET 74 OK 33 41 100 81 1.8-4.1 9615/1.8=20, ~10340=17...(18) QG1 VAL 78 - HG3 MET 74 lone 8 50 90 17 3.6-5.6 10658/9552=8, ~9615=6 QG2 VAL 78 - HG3 MET 74 far 0 66 0 - 5.0-6.9 QD1 LEU 64 - HB VAL 58 far 0 91 0 - 5.0-6.1 QD2 LEU 14 - HB VAL 58 far 0 98 0 - 5.9-7.1 QD1 ILE 56 - HB VAL 58 far 0 98 0 - 6.1-8.2 QD1 ILE 52 - HG3 MET 74 far 0 49 0 - 6.6-8.9 QD1 ILE 56 - HG3 MET 74 far 0 61 0 - 6.6-8.4 QD1 ILE 15 - HB VAL 58 far 0 59 0 - 7.4-8.6 HG13 ILE 56 - HB VAL 58 far 0 100 0 - 7.6-9.4 HG13 ILE 56 - HG3 MET 74 far 0 65 0 - 7.8-10.8 QD2 LEU 6 - HG3 MET 74 far 0 39 0 - 8.1-10.2 HG13 ILE 15 - HB VAL 58 far 0 70 0 - 8.4-10.0 QD2 LEU 6 - HB VAL 58 far 0 70 0 - 8.6-10.0 QD1 ILE 8 - HG3 MET 74 far 0 63 0 - 9.0-10.8 QG1 VAL 5 - HB VAL 58 far 0 100 0 - 9.0-10.0 QG2 VAL 78 - HB VAL 58 far 0 100 0 - 9.3-10.4 QD1 LEU 42 - HB VAL 58 far 0 73 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 2660 from cnoeabs.peaks (8.80, 2.60, 33.16 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * H SER 59 + HB VAL 58 OK 100 100 100 100 1.9-2.2 6959=100, 6958/3.0=65...(19) H ILE 8 + HB VAL 58 OK 97 100 100 97 4.2-4.8 8298/3.0=55...(14) H ARG 81 - HB VAL 58 far 0 59 0 - 5.9-7.3 Violated in 0 structures by 0.00 A. Peak 2661 from cnoeabs.peaks (8.54, 0.68, 19.32 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 58 + QG2 VAL 58 OK 99 100 100 99 2.1-2.3 6953=79, 2667/2.1=58...(23) H ASP 61 + QG2 VAL 58 OK 43 68 95 68 4.5-4.9 3.0/9448=19, 4.6/9392=15...(14) Violated in 0 structures by 0.00 A. Peak 2662 from cnoeabs.peaks (5.25, 0.68, 19.32 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + QG2 VAL 58 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 2663 from cnoeabs.peaks (2.60, 0.68, 19.32 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + QG2 VAL 58 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2664 from cnoeabs.peaks (0.68, 0.68, 19.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 58 + QG2 VAL 58 OK 100 100 - 100 Peak 2665 from cnoeabs.peaks (0.72, 0.68, 19.32 ppm; 2.43 A): 3 out of 15 assignments used, quality = 1.00: * QG1 VAL 58 + QG2 VAL 58 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 LEU 64 + QG2 VAL 58 OK 75 91 100 82 2.5-3.4 3.1/10219=18...(27) QD1 ILE 8 + QG2 VAL 58 OK 45 99 55 83 3.8-4.5 2659/2.1=14, 2653/3.2=12...(33) QD2 LEU 14 - QG2 VAL 58 far 0 98 0 - 5.6-6.6 QD1 ILE 56 - QG2 VAL 58 far 0 98 0 - 5.7-7.0 HG13 ILE 56 - QG2 VAL 58 far 0 100 0 - 6.4-7.6 HG3 ARG 81 - QG2 VAL 58 far 0 93 0 - 6.9-7.6 QG1 VAL 5 - QG2 VAL 58 far 0 100 0 - 7.2-8.4 QG2 VAL 78 - QG2 VAL 58 far 0 100 0 - 7.3-8.2 QD1 ILE 15 - QG2 VAL 58 far 0 59 0 - 7.5-8.4 QD2 LEU 6 - QG2 VAL 58 far 0 70 0 - 7.7-9.1 QD1 LEU 42 - QG2 VAL 58 far 0 73 0 - 8.2-9.3 HG13 ILE 15 - QG2 VAL 58 far 0 70 0 - 8.6-9.7 QG1 VAL 78 - QG2 VAL 58 far 0 85 0 - 9.0-9.9 HG13 ILE 93 - QG2 VAL 58 far 0 88 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2666 from cnoeabs.peaks (8.80, 0.68, 19.32 ppm; 4.09 A): 3 out of 3 assignments used, quality = 1.00: * H SER 59 + QG2 VAL 58 OK 100 100 100 100 2.4-3.1 4.2=90, 6959/2.1=88...(23) H ILE 8 + QG2 VAL 58 OK 96 100 100 96 4.8-5.2 8298/3.2=62, 2660/2.1=39...(16) H ARG 81 + QG2 VAL 58 OK 51 59 100 86 3.5-4.9 4.7/10711=34...(16) Violated in 0 structures by 0.00 A. Peak 2667 from cnoeabs.peaks (8.54, 0.72, 21.78 ppm; 3.75 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 58 + QG1 VAL 58 OK 100 100 100 100 2.2-2.7 4.0=81, 6953/2.1=66...(23) H ASP 61 - QG1 VAL 58 far 0 68 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 2668 from cnoeabs.peaks (5.25, 0.72, 21.78 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 58 + QG1 VAL 58 OK 100 100 100 100 2.3-2.5 3.2=100 Violated in 0 structures by 0.00 A. Peak 2669 from cnoeabs.peaks (2.60, 0.72, 21.78 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 58 + QG1 VAL 58 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 2670 from cnoeabs.peaks (0.68, 0.72, 21.78 ppm; 2.40 A): 2 out of 11 assignments used, quality = 1.00: * QG2 VAL 58 + QG1 VAL 58 OK 100 100 100 100 2.0-2.1 2.1=100 QD1 ILE 8 + QG1 VAL 58 OK 60 70 100 86 1.7-2.2 2.1/311=17, 3.2/10224=16...(36) QD1 ILE 56 - QG1 VAL 58 far 4 73 5 - 3.6-5.2 HG13 ILE 56 - QG1 VAL 58 far 0 59 0 - 4.4-5.8 QD2 LEU 14 - QG1 VAL 58 far 0 71 0 - 5.4-6.5 QD2 LEU 6 - QG1 VAL 58 far 0 99 0 - 5.7-7.1 QD1 LEU 14 - QG1 VAL 58 far 0 100 0 - 6.1-6.8 QD1 LEU 29 - QG1 VAL 58 far 0 90 0 - 6.1-8.4 QD1 LEU 42 - QG1 VAL 58 far 0 98 0 - 6.3-7.7 QD2 LEU 29 - QG1 VAL 58 far 0 71 0 - 6.7-8.3 QG2 VAL 54 - QG1 VAL 58 far 0 91 0 - 8.9-9.4 Violated in 0 structures by 0.00 A. Peak 2671 from cnoeabs.peaks (0.72, 0.72, 21.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 58 + QG1 VAL 58 OK 100 100 - 100 Peak 2672 from cnoeabs.peaks (8.80, 0.72, 21.78 ppm; 3.71 A): 3 out of 3 assignments used, quality = 1.00: * H SER 59 + QG1 VAL 58 OK 100 100 100 100 3.5-3.8 6959/2.1=78, 4.2=67...(26) H ILE 8 + QG1 VAL 58 OK 99 100 100 99 2.9-3.6 8298/3.2=52...(22) H ARG 81 + QG1 VAL 58 OK 50 59 100 85 3.2-4.5 4.2/10223=23...(20) Violated in 0 structures by 0.00 A. Peak 2673 from cnoeabs.peaks (8.80, 5.06, 59.32 ppm; 3.97 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HA SER 59 OK 100 100 100 100 2.9-2.9 3.0=100 H ILE 8 - HA SER 59 far 0 100 0 - 6.0-6.7 H ARG 81 - HA SER 59 far 0 59 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 2674 from cnoeabs.peaks (5.06, 5.06, 59.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 59 + HA SER 59 OK 100 100 - 100 Peak 2675 from cnoeabs.peaks (4.16, 5.06, 59.32 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 59 + HA SER 59 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 85 - HA SER 59 far 0 73 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 2676 from cnoeabs.peaks (4.04, 5.06, 59.32 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 59 + HA SER 59 OK 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2677 from cnoeabs.peaks (7.73, 5.06, 59.32 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + HA SER 59 OK 100 100 100 100 3.1-3.4 3.6=100 H LEU 64 - HA SER 59 far 0 98 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 2678 from cnoeabs.peaks (8.80, 4.16, 65.60 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: * H SER 59 + HB2 SER 59 OK 100 100 100 100 2.4-3.8 4.0=100 H ILE 8 - HB2 SER 59 poor 19 100 55 34 5.1-7.5 2683/1.8=16, 8347/9404=9...(6) H ARG 81 - HB2 SER 59 far 0 59 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2679 from cnoeabs.peaks (5.06, 4.16, 65.60 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 59 + HB2 SER 59 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2680 from cnoeabs.peaks (4.16, 4.16, 65.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 59 + HB2 SER 59 OK 100 100 - 100 Peak 2681 from cnoeabs.peaks (4.04, 4.16, 65.60 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 59 + HB2 SER 59 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2682 from cnoeabs.peaks (7.73, 4.16, 65.60 ppm; 4.99 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + HB2 SER 59 OK 100 100 100 100 3.5-4.4 4.6=100 H LEU 64 - HB2 SER 59 far 0 98 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 2683 from cnoeabs.peaks (8.80, 4.04, 65.60 ppm; 4.30 A): 2 out of 3 assignments used, quality = 1.00: * H SER 59 + HB3 SER 59 OK 100 100 100 100 2.5-3.8 4.0=100 H ILE 8 + HB3 SER 59 OK 27 100 45 61 5.2-6.9 8298/9390=34...(8) H ARG 81 - HB3 SER 59 far 0 59 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 2684 from cnoeabs.peaks (5.06, 4.04, 65.60 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 59 + HB3 SER 59 OK 100 100 100 100 2.2-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2685 from cnoeabs.peaks (4.16, 4.04, 65.60 ppm; 2.93 A): 1 out of 2 assignments used, quality = 1.00: * HB2 SER 59 + HB3 SER 59 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 SER 85 - HB3 SER 59 far 0 73 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 2686 from cnoeabs.peaks (4.04, 4.04, 65.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 59 + HB3 SER 59 OK 100 100 - 100 Peak 2687 from cnoeabs.peaks (7.73, 4.04, 65.60 ppm; 5.15 A): 1 out of 2 assignments used, quality = 1.00: * H ASN 60 + HB3 SER 59 OK 100 100 100 100 3.8-4.6 4.6=100 H LEU 64 - HB3 SER 59 far 0 98 0 - 7.2-8.6 Violated in 0 structures by 0.00 A. Peak 2688 from cnoeabs.peaks (7.73, 4.81, 52.01 ppm; 4.36 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 60 + HA ASN 60 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 64 + HA ASN 60 OK 76 98 100 78 5.2-5.5 2695/3.0=28, 2702/3.0=27...(8) Violated in 0 structures by 0.00 A. Peak 2689 from cnoeabs.peaks (4.81, 4.81, 52.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 60 + HA ASN 60 OK 100 100 - 100 Peak 2690 from cnoeabs.peaks (2.89, 4.81, 52.01 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASN 60 + HA ASN 60 OK 100 100 100 100 3.0-3.0 3.0=100 HE3 LYS 82 + HA ASN 60 OK 40 63 70 91 4.1-6.1 3.0/10938=58...(9) HB2 ASN 10 - HA ASN 60 far 0 65 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 2691 from cnoeabs.peaks (3.06, 4.81, 52.01 ppm; 5.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HA ASN 60 OK 100 100 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2692 from cnoeabs.peaks (6.87, 4.81, 52.01 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.96: * HD21 ASN 60 + HA ASN 60 OK 96 100 100 96 3.1-4.4 4.5=83, 6974/3.0=45...(5) Violated in 2 structures by 0.01 A. Peak 2694 from cnoeabs.peaks (8.58, 4.81, 52.01 ppm; 5.33 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HA ASN 60 OK 100 100 100 100 2.4-2.5 3.6=100 H VAL 58 - HA ASN 60 far 0 68 0 - 7.4-7.7 Violated in 0 structures by 0.00 A. Peak 2695 from cnoeabs.peaks (7.73, 2.89, 40.34 ppm; 4.56 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 60 + HB2 ASN 60 OK 100 100 100 100 2.6-3.0 4.0=100 H LEU 64 + HB2 ASN 60 OK 91 98 100 93 4.0-4.8 2702/1.8=36...(13) Violated in 0 structures by 0.00 A. Peak 2696 from cnoeabs.peaks (4.81, 2.89, 40.34 ppm; 3.52 A): 1 out of 3 assignments used, quality = 1.00: * HA ASN 60 + HB2 ASN 60 OK 100 100 100 100 3.0-3.0 3.0=100 HA THR 34 - HB2 ASN 60 far 0 75 0 - 8.8-10.8 HA VAL 83 - HB2 ASN 60 far 0 96 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 2697 from cnoeabs.peaks (2.89, 2.89, 40.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 60 + HB2 ASN 60 OK 100 100 - 100 Peak 2698 from cnoeabs.peaks (3.06, 2.89, 40.34 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HB2 ASN 60 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 2699 from cnoeabs.peaks (6.87, 2.89, 40.34 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + HB2 ASN 60 OK 100 100 100 100 2.1-2.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 2700 from cnoeabs.peaks (7.37, 2.89, 40.34 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HB2 ASN 60 OK 100 100 100 100 3.4-3.6 3.5=100 Violated in 0 structures by 0.00 A. Peak 2701 from cnoeabs.peaks (8.58, 2.89, 40.34 ppm; 4.33 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HB2 ASN 60 OK 100 100 100 100 3.3-3.9 4.4=96, 6993/1.8=91...(8) H VAL 58 - HB2 ASN 60 far 0 68 0 - 7.5-7.9 Violated in 0 structures by 0.00 A. Peak 2702 from cnoeabs.peaks (7.73, 3.06, 40.34 ppm; 4.59 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 60 + HB3 ASN 60 OK 100 100 100 100 3.6-3.9 4.0=100 H LEU 64 + HB3 ASN 60 OK 87 98 100 89 4.8-5.6 2695/1.8=38...(8) Violated in 0 structures by 0.00 A. Peak 2703 from cnoeabs.peaks (4.81, 3.06, 40.34 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * HA ASN 60 + HB3 ASN 60 OK 100 100 100 100 2.4-2.7 3.0=100 HA VAL 83 - HB3 ASN 60 far 0 96 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 2704 from cnoeabs.peaks (2.89, 3.06, 40.34 ppm; 2.96 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASN 60 + HB3 ASN 60 OK 100 100 100 100 1.8-1.8 1.8=100 HE3 LYS 82 - HB3 ASN 60 far 0 63 0 - 5.9-7.7 HB2 ASN 10 - HB3 ASN 60 far 0 65 0 - 9.0-11.4 HE2 LYS 66 - HB3 ASN 60 far 0 100 0 - 9.0-12.5 HE3 LYS 66 - HB3 ASN 60 far 0 99 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 2705 from cnoeabs.peaks (3.06, 3.06, 40.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 60 + HB3 ASN 60 OK 100 100 - 100 Peak 2706 from cnoeabs.peaks (6.87, 3.06, 40.34 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 60 + HB3 ASN 60 OK 100 100 100 100 3.1-3.5 3.5=100 Violated in 0 structures by 0.00 A. Peak 2707 from cnoeabs.peaks (7.37, 3.06, 40.34 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 60 + HB3 ASN 60 OK 100 100 100 100 3.9-4.1 3.5=100 Violated in 14 structures by 0.01 A. Peak 2708 from cnoeabs.peaks (8.58, 3.06, 40.34 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HB3 ASN 60 OK 100 100 100 100 2.3-2.6 6993=100, 6991/3.0=76...(7) H VAL 58 - HB3 ASN 60 far 0 68 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 2709 from cnoeabs.peaks (8.58, 4.37, 57.35 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HA ASP 61 OK 100 100 100 100 2.8-2.9 3.0=100 H VAL 58 - HA ASP 61 far 0 68 0 - 7.1-7.7 Violated in 0 structures by 0.00 A. Peak 2710 from cnoeabs.peaks (4.37, 4.37, 57.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 61 + HA ASP 61 OK 100 100 - 100 Peak 2711 from cnoeabs.peaks (2.51, 4.37, 57.35 ppm; 3.76 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 61 + HA ASP 61 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 63 - HA ASP 61 far 10 100 10 - 5.0-7.7 Violated in 0 structures by 0.00 A. Peak 2712 from cnoeabs.peaks (2.73, 4.37, 57.35 ppm; 3.64 A): 3 out of 3 assignments used, quality = 1.00: * HB3 ASP 61 + HA ASP 61 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 82 + HA ASP 61 OK 94 100 100 95 1.9-5.1 3.0/9766=37, 3.0/9767=33...(23) HB2 ASP 65 + HA ASP 61 OK 60 94 80 80 4.3-6.4 7055/10736=35, 2720=32...(12) Violated in 0 structures by 0.00 A. Peak 2713 from cnoeabs.peaks (8.40, 4.37, 57.35 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 62 + HA ASP 61 OK 100 100 100 100 3.4-3.5 3.6=100 H GLU 63 + HA ASP 61 OK 88 91 100 97 4.2-5.0 4.6/9470=51, 9456=48...(14) Violated in 0 structures by 0.00 A. Peak 2714 from cnoeabs.peaks (8.58, 2.51, 40.38 ppm; 4.43 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 61 + HB2 ASP 61 OK 100 100 100 100 2.2-3.6 4.0=100 H VAL 58 - HB2 ASP 61 far 0 68 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 2715 from cnoeabs.peaks (4.37, 2.51, 40.38 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 61 + HB2 ASP 61 OK 100 100 100 100 2.4-3.0 3.0=100 HA ARG 81 - HB2 ASP 61 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2716 from cnoeabs.peaks (2.51, 2.51, 40.38 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 ASP 61 + HB2 ASP 61 OK 100 100 - 100 HB3 ASP 36 + HB3 ASP 36 OK 94 94 - 100 HB2 ASP 36 + HB2 ASP 36 OK 94 94 - 100 HB3 ASP 87 + HB3 ASP 87 OK 69 69 - 100 HB2 ASP 87 + HB2 ASP 87 OK 69 69 - 100 Peak 2717 from cnoeabs.peaks (2.73, 2.51, 40.38 ppm; 3.07 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ASP 61 + HB2 ASP 61 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 82 - HB2 ASP 61 far 15 100 15 - 3.9-7.1 HB2 ASP 65 - HB2 ASP 61 poor 13 94 35 40 4.2-7.1 7055/10768=21...(4) HE2 LYS 40 - HB3 ASP 36 far 0 57 0 - 5.8-8.3 HE2 LYS 40 - HB2 ASP 36 far 0 57 0 - 6.0-8.4 HE3 LYS 40 - HB3 ASP 36 far 0 55 0 - 6.4-9.0 HE3 LYS 40 - HB2 ASP 36 far 0 55 0 - 7.0-9.0 Violated in 0 structures by 0.00 A. Peak 2718 from cnoeabs.peaks (8.40, 2.51, 40.38 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 62 + HB2 ASP 61 OK 100 100 100 100 3.0-4.1 7003=100, 7001/6997=60...(14) H GLU 63 + HB2 ASP 61 OK 36 91 45 89 5.4-6.4 4.5/7003=52, 9456/3.0=38...(11) Violated in 0 structures by 0.00 A. Peak 2719 from cnoeabs.peaks (8.58, 2.73, 40.38 ppm; 4.43 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 61 + HB3 ASP 61 OK 100 100 100 100 2.1-3.6 4.0=100 H ASP 61 - HB2 ASP 65 far 0 76 0 - 6.4-8.2 H VAL 58 - HB3 ASP 61 far 0 68 0 - 9.1-10.2 H VAL 58 - HB2 ASP 65 far 0 44 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 2720 from cnoeabs.peaks (4.37, 2.73, 40.38 ppm; 3.57 A): 2 out of 4 assignments used, quality = 1.00: * HA ASP 61 + HB3 ASP 61 OK 100 100 100 100 2.3-3.0 3.0=100 HA ASP 61 + HB2 ASP 65 OK 46 76 80 76 4.3-6.4 10736/4.0=34, 2712=22...(11) HA ARG 81 - HB2 ASP 65 far 0 76 0 - 8.8-10.7 HA ARG 81 - HB3 ASP 61 far 0 100 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2721 from cnoeabs.peaks (2.51, 2.73, 40.38 ppm; 2.85 A): 1 out of 5 assignments used, quality = 1.00: * HB2 ASP 61 + HB3 ASP 61 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASP 61 - HB2 ASP 65 poor 15 76 20 - 4.2-7.1 HG3 GLU 63 - HB3 ASP 61 far 0 100 0 - 6.6-9.0 HG3 GLU 63 - HB2 ASP 65 far 0 75 0 - 7.3-9.1 HG3 GLN 72 - HB2 ASP 65 far 0 54 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 2722 from cnoeabs.peaks (2.73, 2.73, 40.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 61 + HB3 ASP 61 OK 100 100 - 100 HB2 ASP 65 + HB2 ASP 65 OK 67 67 - 100 Peak 2723 from cnoeabs.peaks (8.40, 2.73, 40.38 ppm; 4.33 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 62 + HB3 ASP 61 OK 100 100 100 100 3.2-4.3 4.4=96, 7003/1.8=93...(11) H GLU 62 + HB2 ASP 65 OK 70 76 95 97 4.9-6.4 ~2864=46, 3.0/2732=42...(14) H GLU 63 + HB2 ASP 65 OK 33 64 60 87 5.1-6.5 3.6/2732=37...(13) H GLU 63 - HB3 ASP 61 far 9 91 10 - 5.5-6.6 H THR 80 - HB2 ASP 65 far 0 73 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 2724 from cnoeabs.peaks (8.40, 4.12, 59.59 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 62 + HA GLU 62 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 63 + HA GLU 62 OK 91 91 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 2725 from cnoeabs.peaks (4.12, 4.12, 59.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 62 + HA GLU 62 OK 100 100 - 100 Peak 2726 from cnoeabs.peaks (2.02, 4.12, 59.59 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 62 + HA GLU 62 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 35 - HA GLU 62 far 0 99 0 - 8.5-11.2 Violated in 0 structures by 0.00 A. Peak 2727 from cnoeabs.peaks (2.09, 4.12, 59.59 ppm; 3.23 A): 1 out of 6 assignments used, quality = 1.00: * HB3 GLU 62 + HA GLU 62 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 LEU 64 - HA GLU 62 far 0 87 0 - 4.8-5.8 HG2 GLU 69 - HA GLU 62 far 0 61 0 - 6.4-10.0 HB2 GLU 69 - HA GLU 62 far 0 61 0 - 7.8-9.6 HB3 GLU 35 - HA GLU 62 far 0 99 0 - 8.1-11.6 HB3 GLU 69 - HA GLU 62 far 0 61 0 - 8.1-10.7 Violated in 0 structures by 0.00 A. Peak 2728 from cnoeabs.peaks (2.26, 4.12, 59.59 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 62 + HA GLU 62 OK 98 100 100 98 3.6-3.7 4.0=68, 1.8/2756=33...(21) HG3 GLU 62 + HA GLU 62 OK 98 100 100 98 2.8-3.9 4.0=68, 1.8/2756=33...(21) HG2 GLU 63 - HA GLU 62 far 11 73 15 - 4.9-5.2 Violated in 0 structures by 0.00 A. Peak 2729 from cnoeabs.peaks (2.26, 4.12, 59.59 ppm; 3.48 A): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 62 + HA GLU 62 OK 98 100 100 98 3.6-3.7 4.0=68, 1.8/2756=33...(21) * HG3 GLU 62 + HA GLU 62 OK 98 100 100 98 2.8-3.9 4.0=68, 1.8/2756=33...(21) HG2 GLU 63 - HA GLU 62 far 11 73 15 - 4.9-5.2 Violated in 0 structures by 0.00 A. Peak 2730 from cnoeabs.peaks (8.38, 4.12, 59.59 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 63 + HA GLU 62 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 62 + HA GLU 62 OK 91 91 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 2731 from cnoeabs.peaks (7.92, 4.12, 59.59 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HA GLU 62 OK 100 100 100 100 3.4-3.9 7044=100, 7057/7060=78...(10) H GLU 69 - HA GLU 62 far 0 94 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 2732 from cnoeabs.peaks (2.71, 4.12, 59.59 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HB2 ASP 65 + HA GLU 62 OK 100 100 100 100 2.8-4.1 1.8/2864=79, 2858=68...(11) HB3 ASP 61 + HA GLU 62 OK 47 94 55 92 4.2-5.7 ~7003=44, 7004/3.0=40...(9) HE2 LYS 82 - HA GLU 62 far 0 87 0 - 6.4-9.7 Violated in 0 structures by 0.00 A. Peak 2733 from cnoeabs.peaks (2.64, 4.12, 59.59 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 65 + HA GLU 62 OK 100 100 100 100 3.3-4.1 2864=100, 7067/7060=74...(11) Violated in 0 structures by 0.00 A. Peak 2734 from cnoeabs.peaks (8.40, 2.02, 28.48 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.1-3.1 4.0=100 H GLU 63 + HB2 GLU 62 OK 90 91 100 99 2.5-4.0 7015=87, 4.5/7006=50...(11) Violated in 0 structures by 0.00 A. Peak 2735 from cnoeabs.peaks (4.12, 2.02, 28.48 ppm; 4.18 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 47 - HB3 GLU 44 far 0 69 0 - 7.5-8.8 HA LYS 47 - HB2 GLU 44 far 0 69 0 - 7.6-9.1 HB2 SER 59 - HB2 GLU 62 far 0 63 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 2736 from cnoeabs.peaks (2.02, 2.02, 28.48 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 62 + HB2 GLU 62 OK 100 100 - 100 HB3 GLU 44 + HB3 GLU 44 OK 77 77 - 100 HB2 GLU 44 + HB2 GLU 44 OK 77 77 - 100 Peak 2737 from cnoeabs.peaks (2.09, 2.02, 28.48 ppm; 2.88 A): 1 out of 16 assignments used, quality = 1.00: * HB3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 43 - HB3 GLU 44 far 7 66 10 - 4.2-6.5 HB3 GLU 43 - HB2 GLU 44 far 0 66 0 - 4.6-5.8 HB2 LEU 64 - HB2 GLU 62 far 0 87 0 - 6.1-7.3 HG2 GLU 28 - HB3 GLU 44 far 0 65 0 - 7.7-11.8 HG2 GLU 28 - HB2 GLU 44 far 0 65 0 - 7.7-11.7 HG3 GLU 28 - HB3 GLU 44 far 0 65 0 - 8.1-11.6 HB3 GLU 37 - HB2 GLU 44 far 0 46 0 - 8.3-13.6 HB3 GLU 35 - HB2 GLU 62 far 0 99 0 - 8.7-12.5 HB2 MET 74 - HB3 GLU 44 far 0 64 0 - 8.7-11.7 HG2 GLU 69 - HB2 GLU 62 far 0 61 0 - 8.7-12.3 HB2 MET 74 - HB2 GLU 44 far 0 64 0 - 8.8-11.4 HG3 GLU 28 - HB2 GLU 44 far 0 65 0 - 8.9-11.4 HB3 LEU 38 - HB2 GLU 44 far 0 76 0 - 9.6-13.3 HB2 GLU 69 - HB2 GLU 62 far 0 61 0 - 9.6-11.9 HB3 GLU 37 - HB3 GLU 44 far 0 46 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 2738 from cnoeabs.peaks (2.26, 2.02, 28.48 ppm; 3.64 A): 3 out of 7 assignments used, quality = 1.00: * HG2 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 GLU 63 + HB2 GLU 62 OK 47 73 100 63 3.3-5.0 4.8/7015=33...(8) HB2 GLU 48 - HB3 GLU 44 far 0 50 0 - 6.6-10.0 HB2 GLU 48 - HB2 GLU 44 far 0 50 0 - 7.2-10.5 HB2 TYR 4 - HB2 GLU 44 far 0 61 0 - 7.3-9.6 HB2 TYR 4 - HB3 GLU 44 far 0 61 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 2739 from cnoeabs.peaks (2.26, 2.02, 28.48 ppm; 3.64 A): 3 out of 7 assignments used, quality = 1.00: HG2 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HG3 GLU 62 + HB2 GLU 62 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 GLU 63 + HB2 GLU 62 OK 47 73 100 63 3.3-5.0 4.8/7015=33...(8) HB2 GLU 48 - HB3 GLU 44 far 0 50 0 - 6.6-10.0 HB2 GLU 48 - HB2 GLU 44 far 0 50 0 - 7.2-10.5 HB2 TYR 4 - HB2 GLU 44 far 0 61 0 - 7.3-9.6 HB2 TYR 4 - HB3 GLU 44 far 0 61 0 - 8.0-10.0 Violated in 0 structures by 0.00 A. Peak 2740 from cnoeabs.peaks (8.38, 2.02, 28.48 ppm; 4.27 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + HB2 GLU 62 OK 100 100 100 100 2.5-4.0 7015=100, 4.5/7006=56...(12) H GLU 62 + HB2 GLU 62 OK 91 91 100 100 2.1-3.1 4.0=100 H TYR 4 - HB2 GLU 44 far 0 66 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2741 from cnoeabs.peaks (8.40, 2.09, 28.48 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 62 + HB3 GLU 62 OK 100 100 100 100 2.1-3.6 7007=100, 7006/1.8=94...(16) H GLU 63 + HB3 GLU 62 OK 88 91 100 97 2.8-4.1 7015/1.8=71, 4.6=64...(12) Violated in 0 structures by 0.00 A. Peak 2742 from cnoeabs.peaks (4.12, 2.09, 28.48 ppm; 4.04 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 62 + HB3 GLU 62 OK 100 100 100 100 2.2-2.9 3.0=100 HB2 SER 59 - HB3 GLU 62 far 0 63 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 2743 from cnoeabs.peaks (2.02, 2.09, 28.48 ppm; 2.88 A): 1 out of 2 assignments used, quality = 1.00: * HB2 GLU 62 + HB3 GLU 62 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 35 - HB3 GLU 62 far 0 99 0 - 8.5-11.3 Violated in 0 structures by 0.00 A. Peak 2744 from cnoeabs.peaks (2.09, 2.09, 28.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 62 + HB3 GLU 62 OK 100 100 - 100 Peak 2745 from cnoeabs.peaks (2.26, 2.09, 28.48 ppm; 3.50 A): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 62 + HB3 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HG2 GLU 62 + HB3 GLU 62 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 GLU 63 + HB3 GLU 62 OK 21 73 55 51 3.5-5.4 4.8/7016=17, 2738/1.8=13...(7) Violated in 0 structures by 0.00 A. Peak 2746 from cnoeabs.peaks (2.26, 2.09, 28.48 ppm; 3.50 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 62 + HB3 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 GLU 62 + HB3 GLU 62 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 GLU 63 + HB3 GLU 62 OK 21 73 55 51 3.5-5.4 4.8/7016=17, 2738/1.8=13...(7) Violated in 0 structures by 0.00 A. Peak 2747 from cnoeabs.peaks (8.38, 2.09, 28.48 ppm; 4.20 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 63 + HB3 GLU 62 OK 99 100 100 99 2.8-4.1 7015/1.8=87, 4.6=74...(12) H GLU 62 + HB3 GLU 62 OK 91 91 100 100 2.1-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 2748 from cnoeabs.peaks (8.40, 2.26, 36.63 ppm; 3.68 A): 4 out of 4 assignments used, quality = 1.00: * H GLU 62 + HG2 GLU 62 OK 99 100 100 99 1.9-4.0 7007/2.9=70, 7006/2.9=67...(17) H GLU 62 + HG3 GLU 62 OK 99 100 100 99 3.4-4.4 7007/2.9=70, 7006/2.9=67...(13) H GLU 63 + HG2 GLU 62 OK 84 91 100 93 1.9-2.8 7015/2.9=49, 7016/2.9=29...(16) H GLU 63 + HG3 GLU 62 OK 81 91 100 90 2.3-3.8 7015/2.9=49, 7016/2.9=29...(9) Violated in 0 structures by 0.00 A. Peak 2749 from cnoeabs.peaks (4.12, 2.26, 36.63 ppm; 3.22 A): 3 out of 8 assignments used, quality = 1.00: * HA GLU 62 + HG2 GLU 62 OK 95 100 100 95 3.6-3.7 4.0=54, 2729/1.8=31...(21) HA GLU 62 + HG3 GLU 62 OK 95 100 100 95 2.8-3.9 4.0=54, 2728/1.8=31...(21) HA GLU 23 + HG2 GLU 23 OK 41 41 100 99 2.3-3.6 1016=68, 1017/1.8=42...(14) HA GLU 104 - HG2 GLU 95 far 14 92 15 - 2.0-14.0 HA LYS 24 - HG2 GLU 23 far 2 46 5 - 3.2-6.5 HA GLU 99 - HG2 GLU 95 far 0 93 0 - 7.1-9.3 HB2 SER 59 - HG2 GLU 62 far 0 63 0 - 7.2-9.9 HB2 SER 59 - HG3 GLU 62 far 0 63 0 - 7.8-11.5 Violated in 0 structures by 0.00 A. Peak 2750 from cnoeabs.peaks (2.02, 2.26, 36.63 ppm; 3.06 A): 3 out of 16 assignments used, quality = 1.00: * HB2 GLU 62 + HG2 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 HB2 GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 GLU 37 + HG2 GLU 37 OK 37 37 100 100 2.3-3.0 3.0=100 HB3 LYS 94 - HG2 GLU 95 far 9 91 10 - 4.4-6.2 HB2 GLU 98 - HG2 GLU 95 far 0 68 0 - 5.3-7.1 HB2 GLU 99 - HG2 GLU 95 far 0 70 0 - 5.8-8.8 HB3 GLU 99 - HG2 GLU 95 far 0 78 0 - 5.8-8.4 HB2 GLU 35 - HG3 GLU 62 far 0 99 0 - 6.1-9.0 HG12 ILE 93 - HG2 GLU 95 far 0 78 0 - 6.2-10.8 HB2 GLU 35 - HG2 GLU 37 far 0 70 0 - 6.4-8.5 HB3 GLU 98 - HG2 GLU 95 far 0 70 0 - 6.8-8.7 HB2 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.8-10.6 HB2 MET 21 - HG2 GLU 23 far 0 30 0 - 7.3-8.8 HB2 MET 21 - HG2 GLU 95 far 0 57 0 - 8.0-11.8 HG12 ILE 93 - HG2 GLU 23 far 0 44 0 - 8.0-11.0 QE MET 74 - HG2 GLU 37 far 0 67 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2751 from cnoeabs.peaks (2.09, 2.26, 36.63 ppm; 2.54 A): 5 out of 28 assignments used, quality = 1.00: * HB3 GLU 62 + HG2 GLU 62 OK 82 100 100 82 2.4-3.0 2.9=66, 3.0/2729=14...(9) HB3 GLU 62 + HG3 GLU 62 OK 82 100 100 82 2.3-3.0 2.9=66, 3.0/2729=14...(9) HG3 GLU 37 + HG2 GLU 37 OK 60 60 100 100 1.8-1.8 1.8=100 HB2 GLU 23 + HG2 GLU 23 OK 51 55 100 92 2.4-2.9 2.9=68, 3.0/1016=28...(12) HB3 GLU 37 + HG2 GLU 37 OK 34 39 100 89 2.2-3.0 3.0=60, 3.0/1581=18...(13) HG3 GLU 104 - HG2 GLU 95 far 9 90 10 - 3.5-14.8 HG2 GLU 28 - HG2 GLU 23 far 4 41 10 - 2.9-8.3 HG3 GLU 28 - HG2 GLU 23 far 4 41 10 - 3.8-9.2 HB3 LEU 38 - HG2 GLU 37 far 0 65 0 - 4.2-8.2 HB3 GLU 35 - HG3 GLU 62 far 0 99 0 - 5.8-10.7 QE MET 21 - HG2 GLU 95 far 0 90 0 - 5.8-8.3 HB2 LEU 64 - HG2 GLU 62 far 0 87 0 - 5.9-7.1 QE MET 21 - HG2 GLU 23 far 0 53 0 - 6.4-8.1 HB3 GLU 35 - HG2 GLU 37 far 0 70 0 - 6.5-9.1 HB3 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.5-12.4 HB2 LEU 64 - HG3 GLU 62 far 0 87 0 - 6.6-7.4 HG2 GLU 69 - HG3 GLU 62 far 0 61 0 - 6.8-9.6 HB2 MET 21 - HG2 GLU 23 far 0 27 0 - 7.3-8.8 HB3 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.8-12.3 HB2 MET 21 - HG2 GLU 95 far 0 52 0 - 8.0-11.8 HB2 GLU 69 - HG3 GLU 62 far 0 61 0 - 8.0-10.9 HG2 GLU 69 - HG2 GLU 62 far 0 61 0 - 8.3-11.0 HB3 LEU 38 - HG2 GLU 62 far 0 96 0 - 8.9-12.4 HB3 LEU 38 - HG3 GLU 62 far 0 96 0 - 9.0-11.3 HB3 GLU 69 - HG2 GLU 62 far 0 61 0 - 9.1-13.2 HB3 GLU 88 - HG2 GLU 95 far 0 89 0 - 9.3-11.9 HB2 GLU 69 - HG2 GLU 62 far 0 61 0 - 9.4-12.0 HB3 GLU 37 - HG2 GLU 62 far 0 63 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 2752 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 95 + HG2 GLU 95 OK 91 91 - 100 HG2 GLU 37 + HG2 GLU 37 OK 72 72 - 100 HG2 GLU 23 + HG2 GLU 23 OK 54 54 - 100 Peak 2753 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 95 + HG2 GLU 95 OK 91 91 - 100 HG2 GLU 37 + HG2 GLU 37 OK 72 72 - 100 HG2 GLU 23 + HG2 GLU 23 OK 54 54 - 100 Reference assignment not found: HG3 GLU 62 - HG2 GLU 62 Peak 2754 from cnoeabs.peaks (8.38, 2.26, 36.63 ppm; 3.65 A): 5 out of 7 assignments used, quality = 1.00: * H GLU 63 + HG2 GLU 62 OK 95 100 100 95 1.9-2.8 7015/2.9=55, 7016/2.9=32...(17) H GLU 63 + HG3 GLU 62 OK 92 100 100 92 2.3-3.8 7015/2.9=55, 7016/2.9=32...(10) H GLU 62 + HG2 GLU 62 OK 89 91 100 98 1.9-4.0 7007/2.9=60, 7006/2.9=57...(18) H GLU 62 + HG3 GLU 62 OK 89 91 100 98 3.4-4.4 7007/2.9=60, 7006/2.9=57...(13) H GLU 95 + HG2 GLU 95 OK 75 76 100 100 1.9-3.8 7541=71, 7542/1.8=65...(16) H ILE 93 - HG2 GLU 95 poor 16 80 20 - 4.0-7.7 H TYR 4 - HG2 GLU 23 far 0 42 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2755 from cnoeabs.peaks (8.40, 2.26, 36.63 ppm; 3.68 A): 4 out of 4 assignments used, quality = 1.00: H GLU 62 + HG2 GLU 62 OK 99 100 100 99 1.9-4.0 7007/2.9=70, 7006/2.9=67...(17) * H GLU 62 + HG3 GLU 62 OK 99 100 100 99 3.4-4.4 7007/2.9=70, 7006/2.9=67...(13) H GLU 63 + HG2 GLU 62 OK 84 91 100 93 1.9-2.8 7015/2.9=49, 7016/2.9=29...(16) H GLU 63 + HG3 GLU 62 OK 81 91 100 90 2.3-3.8 7015/2.9=49, 7016/2.9=29...(9) Violated in 0 structures by 0.00 A. Peak 2756 from cnoeabs.peaks (4.12, 2.26, 36.63 ppm; 3.22 A): 3 out of 8 assignments used, quality = 1.00: HA GLU 62 + HG2 GLU 62 OK 95 100 100 95 3.6-3.7 4.0=54, 2729/1.8=31...(21) * HA GLU 62 + HG3 GLU 62 OK 95 100 100 95 2.8-3.9 4.0=54, 2728/1.8=31...(21) HA GLU 23 + HG2 GLU 23 OK 41 41 100 99 2.3-3.6 1016=68, 1017/1.8=42...(14) HA GLU 104 - HG2 GLU 95 far 14 92 15 - 2.0-14.0 HA LYS 24 - HG2 GLU 23 far 2 46 5 - 3.2-6.5 HA GLU 99 - HG2 GLU 95 far 0 93 0 - 7.1-9.3 HB2 SER 59 - HG2 GLU 62 far 0 63 0 - 7.2-9.9 HB2 SER 59 - HG3 GLU 62 far 0 63 0 - 7.8-11.5 Violated in 0 structures by 0.00 A. Peak 2757 from cnoeabs.peaks (2.02, 2.26, 36.63 ppm; 3.06 A): 3 out of 16 assignments used, quality = 1.00: HB2 GLU 62 + HG2 GLU 62 OK 100 100 100 100 2.3-3.0 2.9=100 * HB2 GLU 62 + HG3 GLU 62 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 GLU 37 + HG2 GLU 37 OK 37 37 100 100 2.3-3.0 3.0=100 HB3 LYS 94 - HG2 GLU 95 far 9 91 10 - 4.4-6.2 HB2 GLU 98 - HG2 GLU 95 far 0 68 0 - 5.3-7.1 HB2 GLU 99 - HG2 GLU 95 far 0 70 0 - 5.8-8.8 HB3 GLU 99 - HG2 GLU 95 far 0 78 0 - 5.8-8.4 HB2 GLU 35 - HG3 GLU 62 far 0 99 0 - 6.1-9.0 HG12 ILE 93 - HG2 GLU 95 far 0 78 0 - 6.2-10.8 HB2 GLU 35 - HG2 GLU 37 far 0 70 0 - 6.4-8.5 HB3 GLU 98 - HG2 GLU 95 far 0 70 0 - 6.8-8.7 HB2 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.8-10.6 HB2 MET 21 - HG2 GLU 23 far 0 30 0 - 7.3-8.8 HB2 MET 21 - HG2 GLU 95 far 0 57 0 - 8.0-11.8 HG12 ILE 93 - HG2 GLU 23 far 0 44 0 - 8.0-11.0 QE MET 74 - HG2 GLU 37 far 0 67 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 2758 from cnoeabs.peaks (2.09, 2.26, 36.63 ppm; 2.54 A): 5 out of 28 assignments used, quality = 1.00: HB3 GLU 62 + HG2 GLU 62 OK 82 100 100 82 2.4-3.0 2.9=66, 3.0/2729=14...(9) * HB3 GLU 62 + HG3 GLU 62 OK 82 100 100 82 2.3-3.0 2.9=66, 3.0/2729=14...(9) HG3 GLU 37 + HG2 GLU 37 OK 60 60 100 100 1.8-1.8 1.8=100 HB2 GLU 23 + HG2 GLU 23 OK 51 55 100 92 2.4-2.9 2.9=68, 3.0/1016=28...(12) HB3 GLU 37 + HG2 GLU 37 OK 34 39 100 89 2.2-3.0 3.0=60, 3.0/1581=18...(13) HG3 GLU 104 - HG2 GLU 95 far 9 90 10 - 3.5-14.8 HG2 GLU 28 - HG2 GLU 23 far 4 41 10 - 2.9-8.3 HG3 GLU 28 - HG2 GLU 23 far 4 41 10 - 3.8-9.2 HB3 LEU 38 - HG2 GLU 37 far 0 65 0 - 4.2-8.2 HB3 GLU 35 - HG3 GLU 62 far 0 99 0 - 5.8-10.7 QE MET 21 - HG2 GLU 95 far 0 90 0 - 5.8-8.3 HB2 LEU 64 - HG2 GLU 62 far 0 87 0 - 5.9-7.1 QE MET 21 - HG2 GLU 23 far 0 53 0 - 6.4-8.1 HB3 GLU 35 - HG2 GLU 37 far 0 70 0 - 6.5-9.1 HB3 GLU 35 - HG2 GLU 62 far 0 99 0 - 6.5-12.4 HB2 LEU 64 - HG3 GLU 62 far 0 87 0 - 6.6-7.4 HG2 GLU 69 - HG3 GLU 62 far 0 61 0 - 6.8-9.6 HB2 MET 21 - HG2 GLU 23 far 0 27 0 - 7.3-8.8 HB3 GLU 69 - HG3 GLU 62 far 0 61 0 - 7.8-12.3 HB2 MET 21 - HG2 GLU 95 far 0 52 0 - 8.0-11.8 HB2 GLU 69 - HG3 GLU 62 far 0 61 0 - 8.0-10.9 HG2 GLU 69 - HG2 GLU 62 far 0 61 0 - 8.3-11.0 HB3 LEU 38 - HG2 GLU 62 far 0 96 0 - 8.9-12.4 HB3 LEU 38 - HG3 GLU 62 far 0 96 0 - 9.0-11.3 HB3 GLU 69 - HG2 GLU 62 far 0 61 0 - 9.1-13.2 HB3 GLU 88 - HG2 GLU 95 far 0 89 0 - 9.3-11.9 HB2 GLU 69 - HG2 GLU 62 far 0 61 0 - 9.4-12.0 HB3 GLU 37 - HG2 GLU 62 far 0 63 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 2759 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 95 + HG2 GLU 95 OK 91 91 - 100 HG2 GLU 37 + HG2 GLU 37 OK 72 72 - 100 HG2 GLU 23 + HG2 GLU 23 OK 54 54 - 100 Reference assignment not found: HG2 GLU 62 - HG3 GLU 62 Peak 2760 from cnoeabs.peaks (2.26, 2.26, 36.63 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLU 62 + HG2 GLU 62 OK 100 100 - 100 * HG3 GLU 62 + HG3 GLU 62 OK 100 100 - 100 HG2 GLU 95 + HG2 GLU 95 OK 91 91 - 100 HG2 GLU 37 + HG2 GLU 37 OK 72 72 - 100 HG2 GLU 23 + HG2 GLU 23 OK 54 54 - 100 Peak 2761 from cnoeabs.peaks (8.38, 2.26, 36.63 ppm; 3.65 A): 5 out of 7 assignments used, quality = 1.00: H GLU 63 + HG2 GLU 62 OK 95 100 100 95 1.9-2.8 7015/2.9=55, 7016/2.9=32...(17) * H GLU 63 + HG3 GLU 62 OK 92 100 100 92 2.3-3.8 7015/2.9=55, 7016/2.9=32...(10) H GLU 62 + HG2 GLU 62 OK 89 91 100 98 1.9-4.0 7007/2.9=60, 7006/2.9=57...(18) H GLU 62 + HG3 GLU 62 OK 89 91 100 98 3.4-4.4 7007/2.9=60, 7006/2.9=57...(13) H GLU 95 + HG2 GLU 95 OK 75 76 100 100 1.9-3.8 7541=71, 7542/1.8=65...(16) H ILE 93 - HG2 GLU 95 poor 16 80 20 - 4.0-7.7 H TYR 4 - HG2 GLU 23 far 0 42 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2762 from cnoeabs.peaks (8.38, 3.91, 58.27 ppm; 3.75 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + HA GLU 63 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 62 + HA GLU 63 OK 39 91 50 86 5.2-5.3 10741=33, 10738/3.0=27...(12) H THR 80 - HA GLU 63 far 0 73 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 2763 from cnoeabs.peaks (3.91, 3.91, 58.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 63 + HA GLU 63 OK 100 100 - 100 Peak 2764 from cnoeabs.peaks (2.20, 3.91, 58.27 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 63 + HA GLU 63 OK 100 100 100 100 2.2-2.8 3.0=100 HG3 GLU 35 - HA GLU 63 far 0 100 0 - 6.2-9.9 HG2 GLU 35 - HA GLU 63 far 0 100 0 - 7.7-10.3 Violated in 0 structures by 0.00 A. Peak 2765 from cnoeabs.peaks (1.78, 3.91, 58.27 ppm; 3.39 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 63 + HA GLU 63 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 66 + HA GLU 63 OK 95 98 100 97 2.6-4.5 7069/7061=42...(21) HB ILE 56 - HA GLU 63 far 0 96 0 - 7.8-9.4 HB3 LYS 82 - HA GLU 63 far 0 97 0 - 9.4-10.6 HB2 LYS 39 - HA GLU 63 far 0 92 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2766 from cnoeabs.peaks (2.29, 3.91, 58.27 ppm; 3.60 A): 3 out of 4 assignments used, quality = 1.00: * HG2 GLU 63 + HA GLU 63 OK 100 100 100 100 3.0-3.5 3.8=82, 1.8/2767=68...(21) HG2 GLU 62 + HA GLU 63 OK 69 73 100 93 3.0-4.4 4.9/10741=22, ~7015=22...(29) HG3 GLU 62 + HA GLU 63 OK 67 73 100 91 3.3-3.7 4.9/10741=22, ~7015=22...(25) HG2 GLU 37 - HA GLU 63 far 0 63 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 2767 from cnoeabs.peaks (2.52, 3.91, 58.27 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + HA GLU 63 OK 100 100 100 100 2.8-4.2 3.8=96, 7023/2.9=63...(20) HB2 ASP 61 - HA GLU 63 far 0 100 0 - 7.7-8.8 Violated in 18 structures by 0.12 A. Peak 2768 from cnoeabs.peaks (7.72, 3.91, 58.27 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 64 + HA GLU 63 OK 100 100 100 100 3.5-3.6 3.6=100 H ASN 60 + HA GLU 63 OK 68 98 70 100 5.4-6.1 9413/3.0=71, 9414/3.0=65...(14) H GLU 37 - HA GLU 63 far 0 87 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 2769 from cnoeabs.peaks (7.80, 3.91, 58.27 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 66 + HA GLU 63 OK 100 100 100 100 3.1-3.8 7061=100, 3.0/10240=57...(20) H SER 9 - HA GLU 63 far 0 99 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 2770 from cnoeabs.peaks (1.77, 3.91, 58.27 ppm; 3.33 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + HA GLU 63 OK 98 98 100 100 2.2-3.0 3.0=100 * HB2 LYS 66 + HA GLU 63 OK 96 100 100 96 2.6-4.5 7069/7061=42...(21) HB ILE 56 - HA GLU 63 far 0 100 0 - 7.8-9.4 HB3 LYS 82 - HA GLU 63 far 0 100 0 - 9.4-10.6 HB2 LYS 39 - HA GLU 63 far 0 73 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2771 from cnoeabs.peaks (1.86, 3.91, 58.27 ppm; 3.70 A): 2 out of 4 assignments used, quality = 0.99: * HB3 LYS 66 + HA GLU 63 OK 99 100 100 99 2.0-3.6 7070/7061=54...(22) HB ILE 8 + HA GLU 63 OK 49 70 80 88 4.6-5.5 2.1/10745=36, ~10744=19...(19) HB3 LYS 68 - HA GLU 63 far 0 99 0 - 6.9-7.8 HB2 LYS 68 - HA GLU 63 far 0 88 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 2772 from cnoeabs.peaks (8.38, 2.20, 29.93 ppm; 3.51 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 63 + HB2 GLU 63 OK 100 100 100 100 3.2-3.6 7020=97, 7021/1.8=62...(17) H GLU 62 - HB2 GLU 63 far 0 91 0 - 5.8-6.3 H THR 80 - HB2 GLU 63 far 0 73 0 - 9.5-12.2 Violated in 17 structures by 0.05 A. Peak 2773 from cnoeabs.peaks (3.91, 2.20, 29.93 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 63 + HB2 GLU 63 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 SER 9 - HB2 GLU 63 far 0 98 0 - 6.2-8.8 HA GLU 35 - HB2 GLU 63 far 0 82 0 - 6.3-7.9 HA LEU 38 - HB2 GLU 63 far 0 57 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 2774 from cnoeabs.peaks (2.20, 2.20, 29.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 63 + HB2 GLU 63 OK 100 100 - 100 Peak 2775 from cnoeabs.peaks (1.78, 2.20, 29.93 ppm; 3.54 A): 1 out of 4 assignments used, quality = 1.00: * HB3 GLU 63 + HB2 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 66 - HB2 GLU 63 far 5 98 5 - 4.9-6.2 HB ILE 56 - HB2 GLU 63 far 0 96 0 - 7.1-8.7 HB3 LYS 82 - HB2 GLU 63 far 0 97 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 2776 from cnoeabs.peaks (2.29, 2.20, 29.93 ppm; 3.15 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 63 + HB2 GLU 63 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 GLU 62 + HB2 GLU 63 OK 28 73 65 59 3.9-5.2 2783/1.8=18, 2766/3.0=12...(14) HG3 GLU 62 - HB2 GLU 63 far 4 73 5 - 4.6-5.9 HG2 GLU 37 - HB2 GLU 63 far 0 63 0 - 7.8-11.8 Violated in 0 structures by 0.00 A. Peak 2777 from cnoeabs.peaks (2.52, 2.20, 29.93 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + HB2 GLU 63 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 ASP 61 - HB2 GLU 63 far 0 100 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 2778 from cnoeabs.peaks (7.72, 2.20, 29.93 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 64 + HB2 GLU 63 OK 100 100 100 100 3.4-4.3 7031=85, 7032/1.8=74...(13) H ASN 60 + HB2 GLU 63 OK 98 98 100 100 4.0-5.1 9413=96, 9414/1.8=75...(14) H GLU 37 - HB2 GLU 63 far 0 87 0 - 9.0-10.8 Violated in 0 structures by 0.00 A. Peak 2779 from cnoeabs.peaks (8.38, 1.78, 29.93 ppm; 4.31 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.7-3.3 4.0=100 H GLU 62 + HB3 GLU 63 OK 89 91 100 98 4.9-5.8 4.5/7021=49...(15) H THR 80 - HB3 GLU 63 far 0 73 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 2780 from cnoeabs.peaks (3.91, 1.78, 29.93 ppm; 3.95 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 SER 9 - HB3 GLU 63 far 0 98 0 - 6.0-8.6 HA GLU 35 - HB3 GLU 63 far 0 82 0 - 6.8-9.4 HA LEU 38 - HB3 GLU 63 far 0 57 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 2781 from cnoeabs.peaks (2.20, 1.78, 29.93 ppm; 3.34 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 63 + HB3 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 35 - HB3 GLU 63 far 0 100 0 - 9.0-12.7 HG2 GLU 35 - HB3 GLU 63 far 0 100 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 2782 from cnoeabs.peaks (1.78, 1.78, 29.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 63 + HB3 GLU 63 OK 100 100 - 100 Peak 2783 from cnoeabs.peaks (2.29, 1.78, 29.93 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: * HG2 GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 62 + HB3 GLU 63 OK 56 73 100 77 3.8-5.0 4.9/10738=22...(15) HG3 GLU 62 - HB3 GLU 63 far 11 73 15 - 4.7-6.0 HG2 GLU 37 - HB3 GLU 63 far 0 63 0 - 9.0-13.5 Violated in 0 structures by 0.00 A. Peak 2784 from cnoeabs.peaks (2.52, 1.78, 29.93 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + HB3 GLU 63 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 ASP 61 - HB3 GLU 63 far 0 100 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 2785 from cnoeabs.peaks (7.72, 1.78, 29.93 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 64 + HB3 GLU 63 OK 100 100 100 100 2.4-4.3 7032=94, 7031/1.8=69...(22) H ASN 60 + HB3 GLU 63 OK 98 98 100 100 2.6-4.9 9414=97, 9413/1.8=83...(20) H GLU 37 - HB3 GLU 63 far 0 87 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 2786 from cnoeabs.peaks (8.38, 2.29, 36.00 ppm; 3.98 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 63 + HG2 GLU 63 OK 100 100 100 100 1.5-1.8 7023/1.8=87, 2772/3.0=67...(20) H GLU 62 + HG2 GLU 63 OK 83 91 100 91 3.4-4.1 9453/10234=33...(14) H TYR 4 - HG2 GLU 23 far 0 43 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 2787 from cnoeabs.peaks (3.91, 2.29, 36.00 ppm; 3.91 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 63 + HG2 GLU 63 OK 100 100 100 100 3.0-3.5 3.8=100 HA GLU 43 + HG3 GLU 43 OK 26 26 100 100 2.4-3.5 3.7=100 HA TYR 41 - HG3 GLU 43 far 0 39 0 - 6.1-7.3 HA GLU 44 - HG3 GLU 43 far 0 33 0 - 6.4-6.5 HB3 SER 9 - HG2 GLU 63 far 0 98 0 - 6.9-9.3 HA GLU 35 - HG2 GLU 63 far 0 82 0 - 7.9-10.0 HB3 SER 9 - HG3 GLU 16 far 0 98 0 - 9.0-11.4 HB2 SER 97 - HG2 GLU 23 far 0 30 0 - 9.1-11.9 HA GLU 35 - HG3 GLU 43 far 0 29 0 - 9.7-10.6 HA LEU 38 - HG2 GLU 63 far 0 57 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 2788 from cnoeabs.peaks (2.20, 2.29, 36.00 ppm; 2.63 A): 3 out of 11 assignments used, quality = 0.98: * HB2 GLU 63 + HG2 GLU 63 OK 88 100 100 88 2.6-3.0 3.0=67, 9413/9412=16...(12) HB3 GLU 16 + HG3 GLU 16 OK 68 73 100 93 2.2-3.0 3.0=67, 1.8/701=24...(14) HG2 GLU 43 + HG3 GLU 43 OK 41 41 100 100 1.8-1.8 1.8=100 HG3 PRO 86 - HG3 GLU 16 far 0 100 0 - 7.9-11.6 HG2 GLU 35 - HG3 GLU 43 far 0 42 0 - 8.3-11.3 HG3 GLU 75 - HG3 GLU 43 far 0 33 0 - 8.4-10.6 HG3 GLU 35 - HG3 GLU 43 far 0 42 0 - 8.8-11.0 HB3 GLU 16 - HG2 GLU 23 far 0 35 0 - 9.0-12.0 HG2 GLU 75 - HG3 GLU 43 far 0 31 0 - 9.0-12.1 HG3 GLU 35 - HG2 GLU 63 far 0 100 0 - 9.0-12.8 HB3 GLU 75 - HG3 GLU 43 far 0 41 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2789 from cnoeabs.peaks (1.78, 2.29, 36.00 ppm; 3.77 A): 1 out of 14 assignments used, quality = 1.00: * HB3 GLU 63 + HG2 GLU 63 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 LEU 42 - HG3 GLU 43 poor 19 28 100 68 3.3-3.9 4.6/6696=29, 4.0/6668=19...(10) HB2 LYS 39 - HG3 GLU 43 poor 10 35 30 - 4.6-5.9 HG3 ARG 19 - HG2 GLU 23 far 7 49 15 - 3.7-7.2 HG3 ARG 46 - HG3 GLU 43 far 4 41 10 - 5.2-6.6 HB2 GLU 28 - HG2 GLU 23 far 2 30 5 - 5.1-10.3 HB2 LYS 66 - HG2 GLU 63 far 0 98 0 - 5.6-7.7 HG3 ARG 19 - HG3 GLU 16 far 0 94 0 - 6.0-8.9 HB2 LYS 90 - HG3 GLU 16 far 0 69 0 - 6.6-12.7 HB3 LYS 82 - HG2 GLU 63 far 0 97 0 - 8.1-9.5 HD2 LYS 90 - HG3 GLU 16 far 0 59 0 - 8.6-12.2 HB VAL 78 - HG3 GLU 43 far 0 42 0 - 9.1-11.1 HB ILE 93 - HG2 GLU 23 far 0 42 0 - 9.3-10.6 HB ILE 56 - HG2 GLU 63 far 0 96 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 2790 from cnoeabs.peaks (2.29, 2.29, 36.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 63 + HG2 GLU 63 OK 100 100 - 100 HG3 GLU 16 + HG3 GLU 16 OK 100 100 - 100 HG2 GLU 23 + HG2 GLU 23 OK 42 42 - 100 HG3 GLU 43 + HG3 GLU 43 OK 29 29 - 100 Peak 2791 from cnoeabs.peaks (2.52, 2.29, 36.00 ppm; 3.05 A): 2 out of 6 assignments used, quality = 1.00: * HG3 GLU 63 + HG2 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 23 + HG2 GLU 23 OK 42 42 100 100 1.8-1.8 1.8=100 HG2 MET 74 - HG3 GLU 43 far 2 40 5 - 2.9-6.5 HB2 ASP 61 - HG2 GLU 63 far 0 100 0 - 6.6-7.5 HB3 ASP 36 - HG3 GLU 43 far 0 41 0 - 8.0-11.2 HB2 ASP 36 - HG3 GLU 43 far 0 40 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 2792 from cnoeabs.peaks (7.72, 2.29, 36.00 ppm; 4.73 A): 3 out of 7 assignments used, quality = 1.00: * H LEU 64 + HG2 GLU 63 OK 100 100 100 100 2.6-4.0 7032/3.0=75, 7031/3.0=68...(17) H ASN 60 + HG2 GLU 63 OK 98 98 100 100 2.6-4.0 9412=95, 9411/1.8=83...(16) H ALA 25 + HG2 GLU 23 OK 46 55 90 92 4.7-6.9 6396/4.2=63...(5) H MET 21 - HG2 GLU 23 far 3 33 10 - 5.7-6.8 H MET 74 - HG3 GLU 43 far 3 28 10 - 5.9-7.3 H MET 21 - HG3 GLU 16 far 0 71 0 - 7.2-9.8 H GLU 37 - HG3 GLU 43 far 0 32 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 2793 from cnoeabs.peaks (8.38, 2.52, 36.00 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.2-3.3 7023=100, 2772/3.0=57...(16) H GLU 62 - HG3 GLU 63 far 14 91 15 - 3.9-5.5 Violated in 0 structures by 0.00 A. Peak 2794 from cnoeabs.peaks (3.91, 2.52, 36.00 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.8-4.2 3.8=100 HB3 SER 9 - HG3 GLU 63 far 5 98 5 - 5.4-7.7 HA GLU 35 - HG3 GLU 63 far 0 82 0 - 7.9-10.6 HA LEU 38 - HG3 GLU 63 far 0 57 0 - 9.6-11.9 Violated in 9 structures by 0.02 A. Peak 2795 from cnoeabs.peaks (2.20, 2.52, 36.00 ppm; 3.29 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 16 - HG3 GLU 23 far 0 35 0 - 8.3-10.3 HG3 GLU 35 - HG3 GLU 63 far 0 100 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 2796 from cnoeabs.peaks (1.78, 2.52, 36.00 ppm; 3.93 A): 1 out of 8 assignments used, quality = 1.00: * HB3 GLU 63 + HG3 GLU 63 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 ARG 19 - HG3 GLU 23 poor 12 49 25 - 2.9-6.2 HB2 LYS 66 - HG3 GLU 63 far 0 98 0 - 6.1-8.3 HB2 GLU 28 - HG3 GLU 23 far 0 30 0 - 6.6-9.8 HB3 LYS 82 - HG3 GLU 63 far 0 97 0 - 7.0-10.4 HB ILE 56 - HG3 GLU 63 far 0 96 0 - 8.5-10.6 HB ILE 93 - HG3 GLU 23 far 0 42 0 - 9.0-10.1 HB2 LYS 90 - HG3 GLU 23 far 0 32 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 2797 from cnoeabs.peaks (2.29, 2.52, 36.00 ppm; 2.79 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 63 + HG3 GLU 63 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 23 + HG3 GLU 23 OK 42 42 100 100 1.8-1.8 1.8=100 HG2 GLU 62 - HG3 GLU 63 poor 16 73 55 40 2.9-5.0 2783/3.0=11, 2776/3.0=8...(10) HG3 GLU 62 - HG3 GLU 63 far 7 73 10 - 4.2-6.4 HG2 GLU 37 - HG3 GLU 63 far 0 63 0 - 9.2-14.6 Violated in 0 structures by 0.00 A. Peak 2798 from cnoeabs.peaks (2.52, 2.52, 36.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 63 + HG3 GLU 63 OK 100 100 - 100 HG3 GLU 23 + HG3 GLU 23 OK 42 42 - 100 Peak 2799 from cnoeabs.peaks (7.72, 2.52, 36.00 ppm; 4.90 A): 3 out of 4 assignments used, quality = 1.00: * H LEU 64 + HG3 GLU 63 OK 100 100 100 100 2.7-4.9 7032/3.0=79, 3.6/2767=77...(13) H ASN 60 + HG3 GLU 63 OK 98 98 100 100 1.9-4.8 9411=94, 9412/1.8=85...(13) H MET 21 + HG3 GLU 23 OK 20 33 100 60 4.4-5.6 6339/6368=30...(8) H ALA 25 - HG3 GLU 23 poor 11 55 20 - 5.1-6.9 Violated in 0 structures by 0.00 A. Peak 2800 from cnoeabs.peaks (7.72, 3.75, 58.94 ppm; 3.64 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 100 100 2.7-2.9 3.0=100 H ASN 60 - HA LEU 64 far 0 98 0 - 5.4-6.1 Violated in 0 structures by 0.00 A. Peak 2801 from cnoeabs.peaks (3.75, 3.75, 58.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 Peak 2802 from cnoeabs.peaks (2.11, 3.75, 58.94 ppm; 3.61 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 GLU 104 - HA LEU 64 far 0 68 0 - 7.7-19.1 HG2 GLU 69 - HA LEU 64 far 0 97 0 - 7.7-10.7 HB3 GLU 62 - HA LEU 64 far 0 87 0 - 7.8-8.6 HB2 GLU 69 - HA LEU 64 far 0 97 0 - 8.0-9.3 HB3 GLU 69 - HA LEU 64 far 0 97 0 - 8.3-10.5 HG3 GLU 104 - HA LEU 64 far 0 96 0 - 8.6-19.9 HB3 GLU 35 - HA LEU 64 far 0 73 0 - 9.0-11.9 HB VAL 83 - HA LEU 64 far 0 100 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 2803 from cnoeabs.peaks (1.49, 3.75, 58.94 ppm; 3.25 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 100 100 2.2-2.3 3.0=100 HG LEU 64 + HA LEU 64 OK 98 99 100 100 3.1-3.4 2827=63, 2.1/2843=63...(28) HD2 LYS 82 - HA LEU 64 far 4 75 5 - 4.6-8.1 HG2 LYS 66 - HA LEU 64 far 0 100 0 - 5.0-8.0 HG LEU 38 - HA LEU 64 far 0 75 0 - 5.4-9.6 HG3 LYS 66 - HA LEU 64 far 0 100 0 - 6.2-8.1 HB2 LEU 38 - HA LEU 64 far 0 68 0 - 7.5-9.9 HG LEU 6 - HA LEU 64 far 0 68 0 - 9.1-10.4 HG LEU 57 - HA LEU 64 far 0 99 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 2804 from cnoeabs.peaks (1.48, 3.75, 58.94 ppm; 3.25 A): 2 out of 8 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 100 100 3.1-3.4 2827=64, 2.1/2843=63...(29) HB3 LEU 64 + HA LEU 64 OK 99 99 100 100 2.2-2.3 3.0=100 HD2 LYS 82 - HA LEU 64 far 5 91 5 - 4.6-8.1 HG2 LYS 66 - HA LEU 64 far 0 99 0 - 5.0-8.0 HG LEU 38 - HA LEU 64 far 0 91 0 - 5.4-9.6 HG3 LYS 66 - HA LEU 64 far 0 98 0 - 6.2-8.1 HB2 LEU 38 - HA LEU 64 far 0 85 0 - 7.5-9.9 HG LEU 57 - HA LEU 64 far 0 91 0 - 9.4-10.0 Violated in 0 structures by 0.00 A. Peak 2805 from cnoeabs.peaks (0.86, 3.75, 58.94 ppm; 3.97 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 64 + HA LEU 64 OK 100 100 100 100 3.9-4.1 4.0=98, 2.1/2843=85...(29) QD1 LEU 38 - HA LEU 64 far 10 100 10 - 4.8-7.6 HG13 ILE 8 - HA LEU 64 far 4 85 5 - 5.5-7.2 QG2 VAL 32 - HA LEU 64 far 0 75 0 - 6.4-8.1 QD1 LEU 57 - HA LEU 64 far 0 68 0 - 6.7-7.5 QD1 LEU 103 - HA LEU 64 far 0 100 0 - 7.8-19.2 QD2 LEU 103 - HA LEU 64 far 0 65 0 - 8.1-19.9 HG13 ILE 7 - HA LEU 64 far 0 75 0 - 8.7-10.9 Violated in 18 structures by 0.07 A. Peak 2806 from cnoeabs.peaks (0.74, 3.75, 58.94 ppm; 3.18 A): 3 out of 13 assignments used, quality = 1.00: * QD1 LEU 64 + HA LEU 64 OK 100 100 100 100 2.3-3.5 2843=88, 2.1/2827=49...(32) QG1 VAL 58 + HA LEU 64 OK 90 91 100 99 1.8-2.4 9385=56, 2.1/9388=51...(29) QD1 ILE 8 + HA LEU 64 OK 29 73 100 40 3.5-4.6 10681/2981=8, 7040/3.0=8...(10) QD1 ILE 56 - HA LEU 64 far 0 70 0 - 5.1-7.1 HG13 ILE 56 - HA LEU 64 far 0 82 0 - 5.4-7.6 QG2 VAL 78 - HA LEU 64 far 0 92 0 - 6.8-7.4 QD1 LEU 6 - HA LEU 64 far 0 79 0 - 7.2-9.6 QD2 LEU 42 - HA LEU 64 far 0 85 0 - 7.5-9.2 QG1 VAL 78 - HA LEU 64 far 0 100 0 - 8.7-9.6 QD2 LEU 14 - HA LEU 64 far 0 71 0 - 8.7-10.0 QG1 VAL 54 - HA LEU 64 far 0 92 0 - 8.8-10.1 HG3 ARG 81 - HA LEU 64 far 0 100 0 - 8.8-9.7 QG1 VAL 5 - HA LEU 64 far 0 96 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 2807 from cnoeabs.peaks (7.92, 3.75, 58.94 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HA LEU 64 OK 100 100 100 100 3.5-3.6 3.6=100 H GLU 69 - HA LEU 64 far 0 94 0 - 6.1-7.1 Violated in 0 structures by 0.00 A. Peak 2808 from cnoeabs.peaks (8.48, 3.75, 58.94 ppm; 4.68 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 67 + HA LEU 64 OK 100 100 100 100 3.7-4.3 7081=100, 2.9/2981=83...(17) H ILE 7 - HA LEU 64 far 0 90 0 - 8.6-10.4 H ARG 79 - HA LEU 64 far 0 93 0 - 8.7-9.5 H VAL 32 - HA LEU 64 far 0 100 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 2809 from cnoeabs.peaks (1.34, 3.75, 58.94 ppm; 3.72 A): 2 out of 6 assignments used, quality = 1.00: * QB ALA 67 + HA LEU 64 OK 100 100 100 100 3.2-3.7 2981=100, 2985/7099=50...(19) HB2 LYS 82 + HA LEU 64 OK 28 100 30 95 4.2-6.0 10252/2805=45...(20) HG3 LYS 68 - HA LEU 64 far 10 98 10 - 4.9-7.9 HG12 ILE 8 - HA LEU 64 far 0 84 0 - 5.3-7.4 HB2 LEU 70 - HA LEU 64 far 0 73 0 - 8.6-9.5 QB ALA 89 - HA LEU 64 far 0 100 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 2810 from cnoeabs.peaks (7.72, 2.11, 41.70 ppm; 3.63 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.0-2.3 3.9=78, 7047/7049=59...(27) H ASN 60 + HB2 LEU 64 OK 75 98 95 81 4.3-5.2 9415/1.8=42...(10) Violated in 0 structures by 0.00 A. Peak 2811 from cnoeabs.peaks (3.75, 2.11, 41.70 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.8-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 2812 from cnoeabs.peaks (2.11, 2.11, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 Peak 2813 from cnoeabs.peaks (1.49, 2.11, 41.70 ppm; 2.90 A): 3 out of 6 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 98 99 100 99 2.5-2.9 3.0=92, 2827/3.0=32...(16) HD2 LYS 82 + HB2 LEU 64 OK 40 75 70 75 2.3-5.6 10940/3.1=14, ~10942=13...(20) HG2 LYS 66 - HB2 LEU 64 far 0 100 0 - 6.0-9.0 HG3 LYS 66 - HB2 LEU 64 far 0 100 0 - 7.4-9.4 HG LEU 38 - HB2 LEU 64 far 0 75 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 2814 from cnoeabs.peaks (1.48, 2.11, 41.70 ppm; 2.90 A): 3 out of 6 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 99 100 100 99 2.5-2.9 3.0=92, 2827/3.0=33...(17) HB3 LEU 64 + HB2 LEU 64 OK 99 99 100 100 1.8-1.8 1.8=100 HD2 LYS 82 + HB2 LEU 64 OK 50 91 70 79 2.3-5.6 10940/3.1=18...(21) HG2 LYS 66 - HB2 LEU 64 far 0 99 0 - 6.0-9.0 HG3 LYS 66 - HB2 LEU 64 far 0 98 0 - 7.4-9.4 HG LEU 38 - HB2 LEU 64 far 0 91 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 2815 from cnoeabs.peaks (0.86, 2.11, 41.70 ppm; 3.67 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 100 100 1.9-2.2 3.1=100 QD1 LEU 57 - HB2 LEU 64 far 0 68 0 - 7.2-8.5 QD1 LEU 38 - HB2 LEU 64 far 0 100 0 - 7.3-9.9 HG13 ILE 8 - HB2 LEU 64 far 0 85 0 - 7.8-9.4 QD2 LEU 103 - HB2 LEU 64 far 0 65 0 - 8.5-21.2 QG2 VAL 32 - HB2 LEU 64 far 0 75 0 - 8.5-10.2 QD1 LEU 103 - HB2 LEU 64 far 0 100 0 - 8.6-20.3 HG13 ILE 7 - HB2 LEU 64 far 0 75 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 2816 from cnoeabs.peaks (0.74, 2.11, 41.70 ppm; 3.82 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 100 100 2.9-3.2 3.1=100 QG1 VAL 58 + HB2 LEU 64 OK 90 91 100 100 3.4-4.2 2.1/10219=60...(27) QD1 ILE 8 - HB2 LEU 64 far 0 73 0 - 5.4-6.5 QD1 ILE 56 - HB2 LEU 64 far 0 70 0 - 7.3-9.6 HG13 ILE 56 - HB2 LEU 64 far 0 82 0 - 7.9-10.5 QG2 VAL 78 - HB2 LEU 64 far 0 92 0 - 8.8-9.3 QD2 LEU 14 - HB2 LEU 64 far 0 71 0 - 8.9-10.8 HG3 ARG 81 - HB2 LEU 64 far 0 100 0 - 9.2-10.2 QD1 LEU 6 - HB2 LEU 64 far 0 79 0 - 9.6-11.7 QD2 LEU 42 - HB2 LEU 64 far 0 85 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 2817 from cnoeabs.peaks (7.92, 2.11, 41.70 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HB2 LEU 64 OK 100 100 100 100 2.5-3.2 7049=100, 2825/1.8=64...(30) H GLU 69 - HB2 LEU 64 far 0 94 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 2818 from cnoeabs.peaks (7.72, 1.49, 41.70 ppm; 3.59 A): 2 out of 3 assignments used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.7-3.3 3.9=76, 7036/1.8=45...(30) H ASN 60 + HB3 LEU 64 OK 59 98 65 93 4.4-5.6 9415=41, 2810/1.8=31...(17) H SER 85 - HB3 LEU 64 far 0 79 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 2819 from cnoeabs.peaks (3.75, 1.49, 41.70 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.2-2.3 3.0=100 Violated in 0 structures by 0.00 A. Peak 2820 from cnoeabs.peaks (2.11, 1.49, 41.70 ppm; 3.14 A): 1 out of 9 assignments used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 104 - HB3 LEU 64 far 0 68 0 - 7.3-18.2 HB3 GLU 62 - HB3 LEU 64 far 0 87 0 - 7.6-9.0 HG3 GLU 104 - HB3 LEU 64 far 0 96 0 - 8.1-19.7 HB VAL 83 - HB3 LEU 64 far 0 100 0 - 8.5-9.4 HG2 GLU 69 - HB3 LEU 64 far 0 97 0 - 8.9-12.3 HB2 GLU 69 - HB3 LEU 64 far 0 97 0 - 9.6-11.0 HB3 GLU 88 - HB3 LEU 64 far 0 68 0 - 9.9-10.8 HB3 GLU 69 - HB3 LEU 64 far 0 97 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 2821 from cnoeabs.peaks (1.49, 1.49, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 Peak 2822 from cnoeabs.peaks (1.48, 1.49, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: HB3 LEU 64 + HB3 LEU 64 OK 99 99 - 100 Reference assignment not found: HG LEU 64 - HB3 LEU 64 Peak 2823 from cnoeabs.peaks (0.86, 1.49, 41.70 ppm; 3.58 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 100 100 2.5-3.0 3.1=100 QD1 LEU 57 - HB3 LEU 64 far 0 68 0 - 5.9-7.0 QD1 LEU 38 - HB3 LEU 64 far 0 100 0 - 6.5-9.5 HG13 ILE 8 - HB3 LEU 64 far 0 85 0 - 7.0-8.9 QD2 LEU 103 - HB3 LEU 64 far 0 65 0 - 7.7-20.0 QG2 VAL 32 - HB3 LEU 64 far 0 75 0 - 7.8-9.6 QD1 LEU 103 - HB3 LEU 64 far 0 100 0 - 8.3-19.1 HG13 ILE 7 - HB3 LEU 64 far 0 75 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 2824 from cnoeabs.peaks (0.74, 1.49, 41.70 ppm; 3.62 A): 2 out of 13 assignments used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 100 100 1.9-2.3 3.1=100 QG1 VAL 58 + HB3 LEU 64 OK 90 91 100 99 2.6-3.4 9385/3.0=47, ~10219=38...(31) QD1 ILE 8 - HB3 LEU 64 far 4 73 5 - 4.9-6.2 QD1 ILE 56 - HB3 LEU 64 far 0 70 0 - 6.0-8.6 HG13 ILE 56 - HB3 LEU 64 far 0 82 0 - 6.5-9.2 QG2 VAL 78 - HB3 LEU 64 far 0 92 0 - 7.6-8.8 HG3 ARG 81 - HB3 LEU 64 far 0 100 0 - 7.8-8.8 QD1 LEU 6 - HB3 LEU 64 far 0 79 0 - 8.5-10.6 QD2 LEU 14 - HB3 LEU 64 far 0 71 0 - 8.6-9.7 QD2 LEU 42 - HB3 LEU 64 far 0 85 0 - 8.9-11.1 QG1 VAL 5 - HB3 LEU 64 far 0 96 0 - 9.0-11.0 QG1 VAL 54 - HB3 LEU 64 far 0 92 0 - 9.6-11.4 QG1 VAL 78 - HB3 LEU 64 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 2825 from cnoeabs.peaks (7.92, 1.49, 41.70 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 65 + HB3 LEU 64 OK 100 100 100 100 3.9-4.2 7049/1.8=95, 4.6=69...(30) H GLU 69 - HB3 LEU 64 far 0 94 0 - 7.9-8.7 Violated in 4 structures by 0.01 A. Peak 2826 from cnoeabs.peaks (7.72, 1.48, 27.00 ppm; 3.97 A): 2 out of 12 assignments used, quality = 1.00: * H LEU 64 + HG LEU 64 OK 100 100 100 100 3.8-4.3 3.0/2827=63, 2842/2.1=61...(20) H SER 49 + HG13 ILE 52 OK 25 63 40 97 2.7-7.7 9048/2.1=41, ~9055=28...(19) H GLU 37 - HG LEU 38 poor 19 64 35 86 3.8-7.2 6579/5.3=32...(18) HD22 ASN 51 - HG13 ILE 52 poor 8 41 20 - 4.0-9.7 H VAL 78 - HG13 ILE 52 far 0 34 0 - 6.3-10.9 H LEU 64 - HG LEU 38 far 0 81 0 - 6.8-10.2 H ASN 60 - HG LEU 64 far 0 98 0 - 7.1-7.6 H SER 85 - HG3 ARG 91 far 0 35 0 - 8.3-8.7 H MET 21 - HG3 ARG 91 far 0 31 0 - 8.8-10.6 H MET 74 - HG LEU 38 far 0 57 0 - 9.1-11.2 H ASN 60 - HG LEU 38 far 0 76 0 - 9.2-12.5 H VAL 78 - HG LEU 38 far 0 44 0 - 9.6-13.1 Violated in 13 structures by 0.06 A. Peak 2827 from cnoeabs.peaks (3.75, 1.48, 27.00 ppm; 3.78 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 100 100 3.1-3.4 2843/2.1=80, 4.3=69...(29) HA LEU 64 - HG LEU 38 far 0 81 0 - 5.4-9.6 HA ALA 18 - HG3 ARG 91 far 0 38 0 - 6.7-8.5 HA3 GLY 100 - HG13 ILE 52 far 0 37 0 - 8.5-12.9 Violated in 0 structures by 0.00 A. Peak 2828 from cnoeabs.peaks (2.11, 1.48, 27.00 ppm; 3.32 A): 2 out of 26 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 100 100 2.5-2.9 3.0=100 HB3 GLU 37 + HG LEU 38 OK 20 76 35 76 4.0-8.3 ~8837=25, 1600/5.3=20...(16) HB3 GLU 35 - HG LEU 38 poor 16 52 40 78 4.3-7.1 ~10168=12, 3.0/4014=8...(33) HG3 GLU 37 - HG LEU 38 far 0 80 0 - 5.0-8.6 HG2 GLU 104 - HG LEU 64 far 0 68 0 - 5.1-18.4 HG3 GLU 104 - HG3 ARG 91 far 0 47 0 - 5.1-20.9 HG2 GLU 88 - HG3 ARG 91 far 0 35 0 - 5.1-6.8 QE MET 21 - HG3 ARG 91 far 0 47 0 - 5.6-7.2 HB3 PRO 86 - HG3 ARG 91 far 0 50 0 - 5.8-6.3 HB3 GLU 88 - HG3 ARG 91 far 0 28 0 - 6.3-6.5 HG3 GLU 104 - HG LEU 64 far 0 96 0 - 6.4-18.7 HG2 GLU 104 - HG3 ARG 91 far 0 28 0 - 6.4-19.9 HG2 GLU 69 - HG LEU 64 far 0 97 0 - 6.7-10.4 HB2 GLU 69 - HG LEU 38 far 0 75 0 - 6.9-10.3 HB2 PRO 86 - HG3 ARG 91 far 0 51 0 - 7.3-7.9 HG2 GLU 69 - HG LEU 38 far 0 75 0 - 7.4-11.2 HB2 GLU 69 - HG LEU 64 far 0 97 0 - 7.6-9.1 HB VAL 83 - HG3 ARG 91 far 0 52 0 - 7.8-8.2 HB3 GLU 62 - HG LEU 64 far 0 87 0 - 7.9-8.9 HG2 GLU 44 - HG13 ILE 52 far 0 52 0 - 7.9-12.2 HB3 GLU 69 - HG LEU 38 far 0 75 0 - 8.1-11.8 HB2 LEU 64 - HG LEU 38 far 0 81 0 - 8.2-11.8 HB3 GLU 69 - HG LEU 64 far 0 97 0 - 8.2-9.9 HB2 GLU 75 - HG13 ILE 52 far 0 51 0 - 9.0-13.0 HB3 GLU 62 - HG LEU 38 far 0 64 0 - 9.8-13.6 HG2 GLU 44 - HG LEU 38 far 0 66 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 2829 from cnoeabs.peaks (1.49, 1.48, 27.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG LEU 64 + HG LEU 64 OK 99 99 - 100 HG LEU 38 + HG LEU 38 OK 54 54 - 100 HG13 ILE 52 + HG13 ILE 52 OK 39 39 - 100 HG3 ARG 91 + HG3 ARG 91 OK 25 25 - 100 Reference assignment not found: HB3 LEU 64 - HG LEU 64 Peak 2830 from cnoeabs.peaks (1.48, 1.48, 27.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 HG LEU 38 + HG LEU 38 OK 68 68 - 100 HG13 ILE 52 + HG13 ILE 52 OK 51 51 - 100 HG3 ARG 91 + HG3 ARG 91 OK 36 36 - 100 Peak 2831 from cnoeabs.peaks (0.86, 1.48, 27.00 ppm; 3.52 A): 5 out of 20 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 38 + HG LEU 38 OK 80 80 100 100 2.1-2.1 2.1=100 QD1 LEU 2 + HG13 ILE 52 OK 54 55 100 100 1.9-4.3 12039=81, 2.1/12040=49...(33) QG2 VAL 32 + HG LEU 38 OK 47 54 100 88 2.0-4.8 2.1/8944=30...(15) QG2 ILE 76 + HG13 ILE 52 OK 29 54 70 77 3.1-6.3 10877/2.1=24...(22) HG13 ILE 8 - HG LEU 38 poor 12 62 20 - 4.0-7.1 QD1 LEU 103 - HG LEU 64 far 0 100 0 - 6.5-18.9 QD2 LEU 103 - HG LEU 64 far 0 65 0 - 6.7-19.8 QD1 LEU 57 - HG3 ARG 91 far 0 28 0 - 6.8-8.5 QD1 LEU 38 - HG LEU 64 far 0 100 0 - 7.2-9.2 QD1 LEU 57 - HG LEU 64 far 0 68 0 - 7.5-8.7 QD1 LEU 103 - HG3 ARG 91 far 0 52 0 - 7.6-16.8 QD2 LEU 64 - HG LEU 38 far 0 81 0 - 8.2-11.7 QG2 ILE 76 - HG LEU 38 far 0 68 0 - 8.2-10.6 QD2 LEU 103 - HG3 ARG 91 far 0 27 0 - 8.7-17.2 QD2 LEU 103 - HG13 ILE 52 far 0 35 0 - 8.8-14.4 HG13 ILE 8 - HG LEU 64 far 0 85 0 - 8.8-10.4 QG2 VAL 32 - HG LEU 64 far 0 75 0 - 9.1-10.7 QD1 LEU 57 - HG LEU 38 far 0 47 0 - 9.1-13.0 QD1 LEU 38 - HG13 ILE 52 far 0 65 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 2832 from cnoeabs.peaks (0.74, 1.48, 27.00 ppm; 3.11 A): 3 out of 38 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 52 + HG13 ILE 52 OK 33 34 100 96 1.9-3.2 3.2=92, 2356/2.1=17...(14) QD1 ILE 8 + HG LEU 38 OK 23 52 65 68 2.9-5.1 8855/3.7=14, 12201=14...(18) QD2 LEU 42 - HG LEU 38 poor 17 62 35 78 3.9-6.6 ~12068=14, 2.1/12082=13...(19) QG1 VAL 58 - HG LEU 64 far 14 91 15 - 4.4-5.0 QG1 VAL 58 - HG LEU 38 far 7 68 10 - 4.4-7.4 QD1 ILE 56 - HG LEU 38 far 5 49 10 - 3.9-7.8 HG13 ILE 56 - HG LEU 38 far 3 60 5 - 3.9-8.8 QD1 LEU 6 - HG LEU 38 far 3 57 5 - 2.5-6.9 QG1 VAL 54 - HG13 ILE 52 far 3 55 5 - 4.5-8.0 QG1 VAL 78 - HG13 ILE 52 far 0 65 0 - 4.7-8.4 QG2 VAL 78 - HG LEU 38 far 0 69 0 - 5.4-8.5 QG1 VAL 54 - HG LEU 38 far 0 69 0 - 5.7-8.8 QG1 VAL 78 - HG LEU 38 far 0 80 0 - 5.8-8.7 QD2 LEU 42 - HG13 ILE 52 far 0 49 0 - 5.9-9.2 QD1 ILE 93 - HG3 ARG 91 far 0 36 0 - 6.2-6.7 QD1 ILE 8 - HG LEU 64 far 0 73 0 - 6.2-7.2 QD1 ILE 56 - HG LEU 64 far 0 70 0 - 6.2-9.2 QD2 LEU 27 - HG13 ILE 52 far 0 61 0 - 6.4-10.2 HG13 ILE 56 - HG LEU 64 far 0 82 0 - 7.0-9.7 QG2 VAL 78 - HG13 ILE 52 far 0 55 0 - 7.1-10.8 QG2 VAL 78 - HG LEU 64 far 0 92 0 - 7.1-8.1 QD1 LEU 64 - HG LEU 38 far 0 81 0 - 7.2-10.6 QD1 ILE 56 - HG13 ILE 52 far 0 38 0 - 7.4-12.5 QG2 ILE 93 - HG3 ARG 91 far 0 50 0 - 7.4-8.1 HG13 ILE 93 - HG3 ARG 91 far 0 52 0 - 7.7-9.5 QD1 LEU 27 - HG13 ILE 52 far 0 47 0 - 7.9-11.9 QD1 LEU 6 - HG13 ILE 52 far 0 44 0 - 8.1-10.9 HG3 ARG 81 - HG LEU 64 far 0 100 0 - 8.3-9.7 QG1 VAL 5 - HG LEU 38 far 0 74 0 - 8.4-11.7 QD2 LEU 14 - HG3 ARG 91 far 0 31 0 - 8.6-9.4 QD1 LEU 6 - HG LEU 64 far 0 79 0 - 8.9-11.7 QD2 LEU 42 - HG LEU 64 far 0 85 0 - 9.0-10.6 QG1 VAL 5 - HG3 ARG 91 far 0 47 0 - 9.0-9.7 QG1 VAL 5 - HG13 ILE 52 far 0 59 0 - 9.1-12.6 QG1 VAL 78 - HG LEU 64 far 0 100 0 - 9.5-10.6 QG2 ILE 93 - HG13 ILE 52 far 0 63 0 - 9.8-14.1 QD1 LEU 27 - HG3 ARG 91 far 0 37 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 2833 from cnoeabs.peaks (7.92, 1.48, 27.00 ppm; 4.40 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 65 + HG LEU 64 OK 100 100 100 100 2.7-3.2 7052/2.1=85, 7049/3.0=84...(28) H GLU 69 - HG LEU 64 far 14 94 15 - 5.7-6.8 H GLU 69 - HG LEU 38 far 0 71 0 - 6.1-9.5 H ASP 65 - HG LEU 38 far 0 81 0 - 7.1-11.0 H GLN 72 - HG LEU 38 far 0 76 0 - 7.5-10.2 H GLN 72 - HG LEU 64 far 0 98 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 2834 from cnoeabs.peaks (7.72, 0.86, 25.46 ppm; 4.48 A): 2 out of 7 assignments used, quality = 1.00: * H LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.0-4.1 4.5=97, 2842/2.1=76...(24) H ASN 60 + QD2 LEU 64 OK 91 98 100 93 5.2-5.9 9415/3.1=55...(11) H VAL 78 - QD1 LEU 103 far 5 31 15 - 5.1-14.7 HD22 ASN 51 - QD1 LEU 103 far 0 37 0 - 8.7-16.7 H SER 85 - QD1 LEU 103 far 0 40 0 - 9.1-19.9 H SER 85 - QD2 LEU 64 far 0 79 0 - 9.5-10.8 H LEU 64 - QD1 LEU 103 far 0 60 0 - 9.8-21.4 Violated in 0 structures by 0.00 A. Peak 2835 from cnoeabs.peaks (3.75, 0.86, 25.46 ppm; 4.50 A): 1 out of 4 assignments used, quality = 1.00: * HA LEU 64 + QD2 LEU 64 OK 100 100 100 100 3.9-4.1 4.0=100 HA3 GLY 100 - QD1 LEU 103 far 2 33 5 - 5.5-11.0 HA LEU 64 - QD1 LEU 103 far 0 60 0 - 7.8-19.2 HA ALA 18 - QD1 LEU 103 far 0 45 0 - 9.2-17.2 Violated in 0 structures by 0.00 A. Peak 2836 from cnoeabs.peaks (2.11, 0.86, 25.46 ppm; 3.47 A): 1 out of 21 assignments used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.2 3.1=100 HG2 GLU 104 - QD1 LEU 103 poor 10 33 30 - 3.5-7.2 HG3 GLU 104 - QD1 LEU 103 far 8 54 15 - 2.7-7.1 HG3 GLU 104 - QD2 LEU 64 far 5 96 5 - 5.0-15.5 HG2 GLU 104 - QD2 LEU 64 far 3 68 5 - 4.2-15.5 HB3 GLU 62 - QD2 LEU 64 far 0 87 0 - 6.0-7.8 HG2 GLU 69 - QD2 LEU 64 far 0 97 0 - 6.4-10.3 HB3 GLU 88 - QD1 LEU 103 far 0 33 0 - 6.5-17.1 HB VAL 83 - QD1 LEU 103 far 0 60 0 - 6.9-18.0 QE MET 21 - QD1 LEU 103 far 0 55 0 - 7.0-13.9 HG2 GLU 88 - QD1 LEU 103 far 0 40 0 - 7.3-17.2 HB2 GLU 69 - QD2 LEU 64 far 0 97 0 - 7.8-9.5 HB2 GLU 69 - QD1 LEU 103 far 0 55 0 - 8.0-22.4 HB VAL 83 - QD2 LEU 64 far 0 100 0 - 8.3-9.4 HB3 GLU 69 - QD2 LEU 64 far 0 97 0 - 8.4-10.2 HB2 LEU 64 - QD1 LEU 103 far 0 60 0 - 8.6-20.3 HB3 GLU 69 - QD1 LEU 103 far 0 55 0 - 8.8-22.3 HG2 GLU 69 - QD1 LEU 103 far 0 55 0 - 9.1-22.2 HB3 GLU 88 - QD2 LEU 64 far 0 68 0 - 9.1-10.4 HG2 GLU 88 - QD2 LEU 64 far 0 79 0 - 9.8-12.1 HB3 GLU 35 - QD2 LEU 64 far 0 73 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 2837 from cnoeabs.peaks (1.49, 0.86, 25.46 ppm; 3.15 A): 4 out of 22 assignments used, quality = 1.00: * HB3 LEU 64 + QD2 LEU 64 OK 100 100 100 100 2.5-3.0 3.1=100 HG LEU 64 + QD2 LEU 64 OK 99 99 100 100 2.1-2.1 2.1=100 HD2 LYS 82 + QD2 LEU 64 OK 71 75 100 94 2.1-4.6 3.5/10252=36...(21) HB3 LEU 103 + QD1 LEU 103 OK 36 36 100 100 2.0-3.2 3.1=100 HG LEU 57 - QD1 LEU 103 far 0 57 0 - 5.4-15.3 HB2 ARG 91 - QD1 LEU 103 far 0 59 0 - 5.6-14.9 HG2 LYS 66 - QD2 LEU 64 far 0 100 0 - 6.1-9.4 HG2 LYS 53 - QD1 LEU 103 far 0 42 0 - 6.5-11.8 HG LEU 64 - QD1 LEU 103 far 0 57 0 - 6.5-18.9 HG3 LYS 53 - QD1 LEU 103 far 0 48 0 - 6.5-10.8 HD2 LYS 53 - QD1 LEU 103 far 0 38 0 - 6.9-10.7 HG3 LYS 66 - QD2 LEU 64 far 0 100 0 - 7.5-9.5 HG3 ARG 91 - QD1 LEU 103 far 0 30 0 - 7.6-16.8 HG LEU 38 - QD2 LEU 64 far 0 75 0 - 8.2-11.7 HB3 LEU 64 - QD1 LEU 103 far 0 60 0 - 8.3-19.1 HB3 LEU 103 - QD2 LEU 64 far 0 71 0 - 8.5-17.4 HG LEU 6 - QD1 LEU 103 far 0 33 0 - 9.1-18.4 HD2 LYS 82 - QD1 LEU 103 far 0 38 0 - 9.2-20.0 HG LEU 57 - QD2 LEU 64 far 0 99 0 - 9.4-10.3 HB ILE 7 - QD1 LEU 103 far 0 37 0 - 9.5-19.3 HB2 LEU 38 - QD2 LEU 64 far 0 68 0 - 9.9-11.9 HB2 LEU 27 - QD1 LEU 103 far 0 36 0 - 10.0-15.4 Violated in 0 structures by 0.00 A. Peak 2838 from cnoeabs.peaks (1.48, 0.86, 25.46 ppm; 3.15 A): 3 out of 18 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 99 99 100 100 2.5-3.0 3.1=100 HD2 LYS 82 + QD2 LEU 64 OK 86 91 100 95 2.1-4.6 3.5/10252=36...(21) HG LEU 57 - QD1 LEU 103 far 0 49 0 - 5.4-15.3 HB2 ARG 91 - QD1 LEU 103 far 0 59 0 - 5.6-14.9 HG2 LYS 66 - QD2 LEU 64 far 0 99 0 - 6.1-9.4 HG2 LYS 53 - QD1 LEU 103 far 0 52 0 - 6.5-11.8 HG LEU 64 - QD1 LEU 103 far 0 60 0 - 6.5-18.9 HG3 LYS 53 - QD1 LEU 103 far 0 56 0 - 6.5-10.8 HD2 LYS 53 - QD1 LEU 103 far 0 49 0 - 6.9-10.7 HG3 LYS 66 - QD2 LEU 64 far 0 98 0 - 7.5-9.5 HG3 ARG 91 - QD1 LEU 103 far 0 41 0 - 7.6-16.8 HG LEU 38 - QD2 LEU 64 far 0 91 0 - 8.2-11.7 HB3 LEU 64 - QD1 LEU 103 far 0 57 0 - 8.3-19.1 HD2 LYS 82 - QD1 LEU 103 far 0 49 0 - 9.2-20.0 HG LEU 57 - QD2 LEU 64 far 0 91 0 - 9.4-10.3 HB2 LEU 38 - QD2 LEU 64 far 0 85 0 - 9.9-11.9 HB2 LEU 27 - QD1 LEU 103 far 0 47 0 - 10.0-15.4 Violated in 0 structures by 0.00 A. Peak 2839 from cnoeabs.peaks (0.86, 0.86, 25.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 QD1 LEU 103 + QD1 LEU 103 OK 60 60 - 100 Peak 2840 from cnoeabs.peaks (0.74, 0.86, 25.46 ppm; 2.74 A): 1 out of 31 assignments used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 100 100 1.9-2.0 2.1=100 QG2 VAL 78 - QD1 LEU 103 far 5 50 10 - 4.1-13.2 HG3 ARG 81 - QD1 LEU 103 lone 3 60 45 10 1.9-12.4 ~9747=2, ~9746=2...(6) QG1 VAL 58 - QD2 LEU 64 far 0 91 0 - 4.5-5.0 QD1 LEU 64 - QD1 LEU 103 far 0 60 0 - 4.9-14.4 QD1 ILE 56 - QD1 LEU 103 far 0 34 0 - 5.1-13.5 HG13 ILE 93 - QD1 LEU 103 far 0 60 0 - 5.1-14.2 QG1 VAL 5 - QD1 LEU 103 far 0 54 0 - 5.4-12.6 QG1 VAL 78 - QD1 LEU 103 far 0 59 0 - 5.7-13.5 QG2 ILE 93 - QD1 LEU 103 far 0 58 0 - 5.9-11.6 QD1 ILE 93 - QD1 LEU 103 far 0 41 0 - 5.9-13.2 QD1 ILE 8 - QD2 LEU 64 far 0 73 0 - 6.2-7.2 HG3 ARG 81 - QD2 LEU 64 far 0 100 0 - 6.5-8.2 QD1 LEU 27 - QD1 LEU 103 far 0 42 0 - 6.8-11.4 QD1 ILE 56 - QD2 LEU 64 far 0 70 0 - 6.8-8.9 QG1 VAL 58 - QD1 LEU 103 far 0 49 0 - 7.3-16.1 QD2 LEU 42 - QD1 LEU 103 far 0 45 0 - 7.4-16.2 QG1 VAL 54 - QD1 LEU 103 far 0 50 0 - 7.4-13.1 QD2 LEU 27 - QD1 LEU 103 far 0 56 0 - 7.5-12.3 QG2 VAL 78 - QD2 LEU 64 far 0 92 0 - 7.5-8.2 HG13 ILE 56 - QD1 LEU 103 far 0 42 0 - 7.6-16.9 HG13 ILE 56 - QD2 LEU 64 far 0 82 0 - 7.7-9.5 QD1 ILE 8 - QD1 LEU 103 far 0 37 0 - 8.4-17.0 QD1 LEU 6 - QD1 LEU 103 far 0 40 0 - 8.5-16.8 QD2 LEU 14 - QD1 LEU 103 far 0 36 0 - 8.8-17.4 QD2 LEU 14 - QD2 LEU 64 far 0 71 0 - 9.0-10.1 QD1 LEU 6 - QD2 LEU 64 far 0 79 0 - 9.0-11.2 QG2 ILE 52 - QD1 LEU 103 far 0 31 0 - 9.1-13.5 QD2 LEU 42 - QD2 LEU 64 far 0 85 0 - 9.1-10.4 QG1 VAL 78 - QD2 LEU 64 far 0 100 0 - 9.5-10.3 QG1 VAL 5 - QD2 LEU 64 far 0 96 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 2841 from cnoeabs.peaks (7.92, 0.86, 25.46 ppm; 4.03 A): 1 out of 6 assignments used, quality = 1.00: * H ASP 65 + QD2 LEU 64 OK 100 100 100 100 2.4-3.8 7052=100, 7049/3.1=73...(24) H GLU 69 - QD2 LEU 64 far 0 94 0 - 6.0-7.7 H GLU 69 - QD1 LEU 103 far 0 52 0 - 7.0-20.5 H GLN 72 - QD1 LEU 103 far 0 56 0 - 7.4-19.3 H ASP 65 - QD1 LEU 103 far 0 60 0 - 8.5-21.4 H GLN 72 - QD2 LEU 64 far 0 98 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 2842 from cnoeabs.peaks (7.72, 0.74, 24.36 ppm; 4.39 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 64 + QD1 LEU 64 OK 100 100 100 100 4.2-4.5 4.5=91, 3.0/2843=82...(30) H ASN 60 - QD1 LEU 64 far 15 98 15 - 5.6-6.6 H VAL 78 - QD1 LEU 64 far 0 63 0 - 9.2-9.8 H SER 85 - QD1 LEU 64 far 0 79 0 - 9.3-10.7 Violated in 9 structures by 0.02 A. Peak 2843 from cnoeabs.peaks (3.75, 0.74, 24.36 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.3-3.5 4.0=57, 2827/2.1=54...(32) Violated in 3 structures by 0.01 A. Peak 2844 from cnoeabs.peaks (2.11, 0.74, 24.36 ppm; 3.90 A): 1 out of 11 assignments used, quality = 1.00: * HB2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 2.9-3.2 3.1=100 HG3 GLU 104 - QD1 LEU 64 far 5 96 5 - 4.5-14.2 HG2 GLU 104 - QD1 LEU 64 far 3 68 5 - 3.9-13.5 HG2 GLU 69 - QD1 LEU 64 far 0 97 0 - 7.3-10.2 HB VAL 83 - QD1 LEU 64 far 0 100 0 - 7.6-8.7 HB2 GLU 69 - QD1 LEU 64 far 0 97 0 - 7.9-8.9 HB3 GLU 69 - QD1 LEU 64 far 0 97 0 - 8.4-9.5 HB3 GLU 62 - QD1 LEU 64 far 0 87 0 - 8.4-8.9 HB3 GLU 88 - QD1 LEU 64 far 0 68 0 - 8.6-9.6 HG2 GLU 88 - QD1 LEU 64 far 0 79 0 - 8.8-11.4 HB3 GLU 35 - QD1 LEU 64 far 0 73 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 2845 from cnoeabs.peaks (1.49, 0.74, 24.36 ppm; 2.99 A): 3 out of 11 assignments used, quality = 1.00: * HB3 LEU 64 + QD1 LEU 64 OK 99 100 100 99 1.9-2.3 3.1=87, 3.0/2843=42...(27) HG LEU 64 + QD1 LEU 64 OK 99 99 100 100 2.1-2.1 2.1=100 HD2 LYS 82 + QD1 LEU 64 OK 34 75 50 90 3.5-5.7 3.5/10254=25...(23) HB3 LEU 103 - QD1 LEU 64 far 0 71 0 - 6.7-15.4 HG2 LYS 66 - QD1 LEU 64 far 0 100 0 - 6.9-9.2 HG LEU 38 - QD1 LEU 64 far 0 75 0 - 7.2-10.6 HG LEU 57 - QD1 LEU 64 far 0 99 0 - 7.7-8.5 HB2 LEU 38 - QD1 LEU 64 far 0 68 0 - 8.2-10.7 HG3 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.2-9.1 HG LEU 6 - QD1 LEU 64 far 0 68 0 - 8.6-10.8 HB ILE 7 - QD1 LEU 64 far 0 73 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 2846 from cnoeabs.peaks (1.48, 0.74, 24.36 ppm; 2.99 A): 3 out of 8 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 98 99 100 99 1.9-2.3 3.1=87, 3.0/2843=42...(26) HD2 LYS 82 + QD1 LEU 64 OK 41 91 50 91 3.5-5.7 3.5/10254=25...(23) HG2 LYS 66 - QD1 LEU 64 far 0 99 0 - 6.9-9.2 HG LEU 38 - QD1 LEU 64 far 0 91 0 - 7.2-10.6 HG LEU 57 - QD1 LEU 64 far 0 91 0 - 7.7-8.5 HB2 LEU 38 - QD1 LEU 64 far 0 85 0 - 8.2-10.7 HG3 LYS 66 - QD1 LEU 64 far 0 98 0 - 8.2-9.1 Violated in 0 structures by 0.00 A. Peak 2847 from cnoeabs.peaks (0.86, 0.74, 24.36 ppm; 2.91 A): 1 out of 8 assignments used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 100 100 1.9-2.0 2.1=100 QD2 LEU 103 - QD1 LEU 64 far 0 65 0 - 4.5-15.1 QD1 LEU 57 - QD1 LEU 64 far 0 68 0 - 4.9-5.8 QD1 LEU 103 - QD1 LEU 64 far 0 100 0 - 4.9-14.4 QD1 LEU 38 - QD1 LEU 64 far 0 100 0 - 5.9-8.0 HG13 ILE 8 - QD1 LEU 64 far 0 85 0 - 7.0-9.2 QG2 VAL 32 - QD1 LEU 64 far 0 75 0 - 7.2-8.9 HG13 ILE 7 - QD1 LEU 64 far 0 75 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 2848 from cnoeabs.peaks (0.74, 0.74, 24.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 Peak 2849 from cnoeabs.peaks (7.92, 0.74, 24.36 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 65 + QD1 LEU 64 OK 100 100 100 100 4.1-4.4 4.9=100 H GLU 69 + QD1 LEU 64 OK 91 94 100 96 6.1-6.8 9534/10762=59...(16) H GLN 72 - QD1 LEU 64 far 0 98 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 2850 from cnoeabs.peaks (7.92, 4.31, 57.27 ppm; 3.40 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 65 + HA ASP 65 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 69 + HA ASP 65 OK 86 94 100 92 3.5-4.3 7118=41, 7122/7100=39...(18) H GLN 72 - HA ASP 65 far 0 98 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 2851 from cnoeabs.peaks (4.31, 4.31, 57.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 65 + HA ASP 65 OK 100 100 - 100 HA ASP 36 + HA ASP 36 OK 36 36 - 100 Peak 2852 from cnoeabs.peaks (2.71, 4.31, 57.27 ppm; 3.43 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 65 + HA ASP 65 OK 100 100 100 100 2.6-3.0 3.0=100 HE2 LYS 82 - HA ASP 65 far 0 87 0 - 6.5-10.6 HB3 ASP 61 - HA ASP 65 far 0 94 0 - 6.7-8.6 Violated in 0 structures by 0.00 A. Peak 2853 from cnoeabs.peaks (2.64, 4.31, 57.27 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ASP 65 + HA ASP 65 OK 100 100 100 100 2.6-3.0 3.0=100 HG3 MET 74 - HA ASP 36 far 0 41 0 - 8.2-11.9 HB3 TYR 41 - HA ASP 36 far 0 48 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 2854 from cnoeabs.peaks (7.80, 4.31, 57.27 ppm; 4.15 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 66 + HA ASP 65 OK 100 100 100 100 3.5-3.5 3.6=100 H TYR 41 - HA ASP 36 far 0 39 0 - 6.2-7.2 H LYS 73 - HA ASP 65 far 0 59 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 2855 from cnoeabs.peaks (8.19, 4.31, 57.27 ppm; 3.83 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 68 + HA ASP 65 OK 100 100 100 100 3.3-3.5 7100=93, 7122/7118=46...(22) H ASP 36 + HA ASP 36 OK 48 48 100 100 2.7-2.9 3.0=100 H HIS 106 - HA ASP 65 far 0 73 0 - 7.0-23.1 H GLU 43 - HA ASP 36 far 0 47 0 - 7.6-9.2 H GLU 104 - HA ASP 65 far 0 77 0 - 9.0-21.5 Violated in 0 structures by 0.00 A. Peak 2856 from cnoeabs.peaks (1.84, 4.31, 57.27 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 68 + HA ASP 65 OK 98 100 100 98 2.9-4.1 2997=49, 1.8/3009=46...(26) HB3 LYS 68 + HA ASP 65 OK 70 71 100 98 2.0-2.4 1.8/2997=42, 3009=36...(26) HB3 LYS 39 - HA ASP 36 poor 16 36 45 - 4.2-6.2 HB3 LYS 66 - HA ASP 65 far 0 88 0 - 5.5-6.1 HB2 LEU 42 - HA ASP 36 far 0 30 0 - 7.6-9.6 HB2 GLU 104 - HA ASP 65 far 0 79 0 - 7.8-21.3 HB3 LYS 66 - HA ASP 36 far 0 37 0 - 8.2-10.8 HB3 GLU 104 - HA ASP 65 far 0 73 0 - 8.9-20.2 Violated in 0 structures by 0.00 A. Peak 2857 from cnoeabs.peaks (1.87, 4.31, 57.27 ppm; 3.48 A): 2 out of 9 assignments used, quality = 1.00: * HB3 LYS 68 + HA ASP 65 OK 99 100 100 99 2.0-2.4 3009=57, 1.8/2997=42...(28) HB2 LYS 68 + HA ASP 65 OK 70 71 100 98 2.9-4.1 1.8/3009=46, 4.0/7100=36...(26) HB3 LYS 39 - HA ASP 36 poor 19 46 45 92 4.2-6.2 1.8/10560=42...(16) HB3 LYS 66 - HA ASP 65 far 0 99 0 - 5.5-6.1 HG LEU 42 - HA ASP 36 far 0 35 0 - 6.9-9.2 HB3 LYS 66 - HA ASP 36 far 0 46 0 - 8.2-10.8 HB2 GLU 43 - HA ASP 36 far 0 26 0 - 8.6-10.8 HB3 GLU 104 - HA ASP 65 far 0 100 0 - 8.9-20.2 HB ILE 8 - HA ASP 65 far 0 87 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 2858 from cnoeabs.peaks (4.12, 2.71, 40.20 ppm; 4.09 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 62 + HB2 ASP 65 OK 100 100 100 100 2.8-4.1 2864/1.8=79, 2732=68...(11) HA GLU 62 + HB3 ASP 61 OK 46 76 65 92 4.2-5.7 ~7003=44, 3.0/7004=39...(9) HB2 SER 59 - HB3 ASP 61 far 0 41 0 - 9.0-10.9 Violated in 0 structures by 0.00 A. Peak 2859 from cnoeabs.peaks (7.92, 2.71, 40.20 ppm; 3.46 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 65 + HB2 ASP 65 OK 100 100 100 100 2.1-2.9 7055=100, 7056/1.8=80...(20) H GLU 69 - HB2 ASP 65 far 5 94 5 - 4.8-6.5 H ASP 65 - HB3 ASP 61 far 4 76 5 - 4.9-6.4 H GLN 72 - HB2 ASP 65 far 0 98 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 2860 from cnoeabs.peaks (4.31, 2.71, 40.20 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 65 + HB2 ASP 65 OK 100 100 100 100 2.6-3.0 3.0=100 HA ASP 65 - HB3 ASP 61 far 0 76 0 - 6.7-8.6 Violated in 0 structures by 0.00 A. Peak 2861 from cnoeabs.peaks (2.71, 2.71, 40.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 65 + HB2 ASP 65 OK 100 100 - 100 HB3 ASP 61 + HB3 ASP 61 OK 67 67 - 100 Peak 2862 from cnoeabs.peaks (2.64, 2.71, 40.20 ppm; 2.42 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 65 + HB2 ASP 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 65 - HB3 ASP 61 far 0 76 0 - 4.6-7.7 Violated in 0 structures by 0.00 A. Peak 2863 from cnoeabs.peaks (7.80, 2.71, 40.20 ppm; 3.83 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 66 + HB2 ASP 65 OK 100 100 100 100 2.5-3.7 7066=100, 7067/1.8=83...(15) H LYS 66 - HB3 ASP 61 far 0 76 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 2864 from cnoeabs.peaks (4.12, 2.64, 40.20 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.99: * HA GLU 62 + HB3 ASP 65 OK 99 100 100 99 3.3-4.1 2733=68, 7060/7067=60...(11) HA GLN 72 - HB3 ASP 77 far 0 69 0 - 7.9-10.4 HA MET 1 - HB3 ASP 77 far 0 63 0 - 8.5-11.5 Violated in 2 structures by 0.02 A. Peak 2865 from cnoeabs.peaks (7.92, 2.64, 40.20 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * H ASP 65 + HB3 ASP 65 OK 100 100 100 100 2.3-3.2 7056=100, 7055/1.8=81...(18) H GLU 69 - HB3 ASP 65 far 14 94 15 - 4.7-6.5 H GLN 72 - HB3 ASP 65 far 0 98 0 - 9.5-11.2 H GLN 72 - HB3 ASP 77 far 0 96 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 2866 from cnoeabs.peaks (4.31, 2.64, 40.20 ppm; 3.36 A): 1 out of 2 assignments used, quality = 1.00: * HA ASP 65 + HB3 ASP 65 OK 100 100 100 100 2.6-3.0 3.0=100 HA LEU 103 - HB3 ASP 77 far 0 96 0 - 9.2-15.4 Violated in 0 structures by 0.00 A. Peak 2867 from cnoeabs.peaks (2.71, 2.64, 40.20 ppm; 2.47 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ASP 65 + HB3 ASP 65 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 61 - HB3 ASP 65 far 0 94 0 - 4.6-7.7 HE2 LYS 82 - HB3 ASP 65 far 0 87 0 - 7.0-11.0 HB3 ASN 51 - HB3 ASP 77 far 0 57 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 2868 from cnoeabs.peaks (2.64, 2.64, 40.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 65 + HB3 ASP 65 OK 100 100 - 100 HB3 ASP 77 + HB3 ASP 77 OK 99 99 - 100 Peak 2869 from cnoeabs.peaks (7.80, 2.64, 40.20 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 66 + HB3 ASP 65 OK 100 100 100 100 2.6-3.7 7067=100, 7066/1.8=81...(18) Violated in 2 structures by 0.00 A. Peak 2870 from cnoeabs.peaks (7.80, 4.08, 58.43 ppm; 3.36 A): 3 out of 7 assignments used, quality = 1.00: * H LYS 66 + HA LYS 66 OK 100 100 100 100 2.8-2.8 3.0=100 H LYS 20 + HA GLU 17 OK 46 56 100 83 3.6-4.0 6296/3.6=27, 6295=25...(15) H ASN 26 + HA LYS 24 OK 22 34 95 68 3.5-5.3 6409/3.6=29, 8606/3.0=20...(8) H LYS 20 - HA LYS 24 far 0 65 0 - 7.9-8.7 H LYS 73 - HA LYS 66 far 0 59 0 - 8.5-9.5 H GLU 28 - HA LYS 24 far 0 67 0 - 9.3-10.0 H LYS 73 - HA ARG 46 far 0 45 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 2871 from cnoeabs.peaks (4.08, 4.08, 58.43 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA LYS 66 + HA LYS 66 OK 100 100 - 100 HA ARG 46 + HA ARG 46 OK 86 86 - 100 HA LYS 24 + HA LYS 24 OK 53 53 - 100 HA GLU 17 + HA GLU 17 OK 44 44 - 100 Peak 2872 from cnoeabs.peaks (1.77, 4.08, 58.43 ppm; 3.22 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.4-2.7 3.0=100 HG3 ARG 46 + HA ARG 46 OK 73 73 100 99 2.4-3.5 4.1=50, 3.0/2105=33...(30) HD2 LYS 90 - HA GLU 17 far 2 42 5 - 3.6-6.8 HG3 ARG 19 - HA GLU 17 far 0 58 0 - 6.3-8.1 HB3 GLU 63 - HA LYS 66 far 0 98 0 - 7.1-8.1 HB2 LYS 39 - HA LYS 66 far 0 73 0 - 7.6-11.2 HB ILE 15 - HA GLU 17 far 0 30 0 - 7.7-7.9 HB ILE 93 - HA GLU 17 far 0 30 0 - 8.0-9.6 HB VAL 78 - HA ARG 46 far 0 81 0 - 8.6-10.8 HB ILE 56 - HA LYS 66 far 0 100 0 - 9.1-10.1 HG3 ARG 19 - HA LYS 24 far 0 67 0 - 9.2-12.1 HB ILE 93 - HA LYS 24 far 0 36 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 2873 from cnoeabs.peaks (1.86, 4.08, 58.43 ppm; 3.18 A): 2 out of 19 assignments used, quality = 1.00: * HB3 LYS 66 + HA LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 ARG 46 + HA ARG 46 OK 50 50 100 99 2.2-3.8 4.1=48, 1.8/2096=39...(31) HB3 LYS 90 - HA GLU 17 poor 10 42 25 - 4.1-6.5 HB2 LYS 20 - HA GLU 17 poor 8 41 20 - 3.6-5.0 HB2 ARG 19 - HA GLU 17 far 0 37 0 - 5.1-6.8 HB3 LYS 68 - HA LYS 66 far 0 99 0 - 5.1-5.6 HB2 LYS 68 - HA LYS 66 far 0 88 0 - 6.1-7.1 HB2 LYS 20 - HA LYS 24 far 0 47 0 - 6.9-7.8 HB VAL 54 - HA ARG 46 far 0 69 0 - 7.2-9.4 HB3 LYS 39 - HA LYS 66 far 0 100 0 - 8.2-11.6 HG LEU 42 - HA ARG 46 far 0 52 0 - 8.2-9.3 HB2 LYS 53 - HA ARG 46 far 0 75 0 - 8.9-12.0 HB2 LYS 12 - HA GLU 17 far 0 59 0 - 8.9-10.6 HB ILE 8 - HA LYS 66 far 0 70 0 - 9.0-10.2 HB2 ARG 19 - HA LYS 24 far 0 44 0 - 9.0-11.4 HB3 LYS 12 - HA GLU 17 far 0 58 0 - 9.4-11.3 HB3 LYS 39 - HA ARG 46 far 0 87 0 - 9.5-11.1 HB3 LYS 90 - HA LYS 24 far 0 49 0 - 9.5-11.1 HG LEU 42 - HA LYS 66 far 0 68 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 2874 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.26 A): 4 out of 26 assignments used, quality = 1.00: * HG2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.7-3.6 3.7=67, 2.9/2942=47...(34) HG3 LYS 66 + HA LYS 66 OK 100 100 100 100 2.8-3.8 3.7=67, 2.9/2942=47...(32) HG3 LYS 24 + HA LYS 24 OK 59 60 100 99 2.7-3.9 3.7=70, ~6385=25...(40) HG2 LYS 20 + HA GLU 17 OK 26 34 100 77 2.4-4.1 1.8/894=19, 10434/2.9=13...(26) HG13 ILE 52 - HA ARG 46 far 8 54 15 - 2.9-7.8 HG LEU 38 - HA LYS 66 far 0 73 0 - 5.1-9.6 HG2 LYS 47 - HA ARG 46 far 0 87 0 - 5.3-7.2 HB2 LEU 38 - HA LYS 66 far 0 65 0 - 6.0-8.0 HG LEU 64 - HA LYS 66 far 0 99 0 - 6.9-7.4 HB2 LEU 27 - HA LYS 24 far 0 40 0 - 7.2-8.5 HG2 LYS 73 - HA LYS 66 far 0 100 0 - 7.4-9.6 HB2 LEU 14 - HA GLU 17 far 0 37 0 - 7.4-8.0 HG2 LYS 53 - HA ARG 46 far 0 64 0 - 8.0-12.7 HG2 LYS 20 - HA LYS 24 far 0 40 0 - 8.0-9.0 HG LEU 2 - HA ARG 46 far 0 69 0 - 8.1-11.0 HG3 LYS 13 - HA GLU 17 far 0 58 0 - 8.2-10.0 HG3 ARG 91 - HA GLU 17 far 0 28 0 - 8.3-10.6 HB3 LEU 64 - HA LYS 66 far 0 100 0 - 8.3-8.6 HG12 ILE 56 - HA LYS 66 far 0 57 0 - 8.6-11.2 HD2 LYS 53 - HA ARG 46 far 0 57 0 - 9.1-11.7 HB ILE 7 - HA GLU 17 far 0 37 0 - 9.2-10.0 HG3 LYS 24 - HA GLU 17 far 0 52 0 - 9.2-11.3 HG3 LYS 53 - HA ARG 46 far 0 71 0 - 9.5-13.0 HG LEU 57 - HA GLU 17 far 0 56 0 - 9.6-11.3 HD2 LYS 82 - HA LYS 66 far 0 73 0 - 9.8-13.2 HB2 ARG 91 - HA GLU 17 far 0 58 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2875 from cnoeabs.peaks (1.49, 4.08, 58.43 ppm; 3.26 A): 4 out of 25 assignments used, quality = 1.00: HG2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.7-3.6 3.7=67, 2.9/2942=47...(34) * HG3 LYS 66 + HA LYS 66 OK 100 100 100 100 2.8-3.8 3.7=67, 2.9/2942=47...(32) HG3 LYS 24 + HA LYS 24 OK 61 61 100 99 2.7-3.9 3.7=70, ~6385=25...(40) HG2 LYS 20 + HA GLU 17 OK 24 32 100 76 2.4-4.1 1.8/894=19, 10434/2.9=13...(26) HG13 ILE 52 - HA ARG 46 far 8 50 15 - 2.9-7.8 HG LEU 38 - HA LYS 66 far 0 70 0 - 5.1-9.6 HG2 LYS 47 - HA ARG 46 far 0 87 0 - 5.3-7.2 HB2 LEU 38 - HA LYS 66 far 0 61 0 - 6.0-8.0 HG LEU 64 - HA LYS 66 far 0 98 0 - 6.9-7.4 HB2 LEU 27 - HA LYS 24 far 0 37 0 - 7.2-8.5 HG2 LYS 73 - HA LYS 66 far 0 100 0 - 7.4-9.6 HB2 LEU 14 - HA GLU 17 far 0 40 0 - 7.4-8.0 HG2 LYS 53 - HA ARG 46 far 0 60 0 - 8.0-12.7 HG2 LYS 20 - HA LYS 24 far 0 37 0 - 8.0-9.0 HG LEU 2 - HA ARG 46 far 0 72 0 - 8.1-11.0 HG3 LYS 13 - HA GLU 17 far 0 58 0 - 8.2-10.0 HB3 LEU 64 - HA LYS 66 far 0 100 0 - 8.3-8.6 HG12 ILE 56 - HA LYS 66 far 0 61 0 - 8.6-11.2 HD2 LYS 53 - HA ARG 46 far 0 54 0 - 9.1-11.7 HB ILE 7 - HA GLU 17 far 0 40 0 - 9.2-10.0 HG3 LYS 24 - HA GLU 17 far 0 53 0 - 9.2-11.3 HG3 LYS 53 - HA ARG 46 far 0 68 0 - 9.5-13.0 HG LEU 57 - HA GLU 17 far 0 57 0 - 9.6-11.3 HD2 LYS 82 - HA LYS 66 far 0 70 0 - 9.8-13.2 HB2 ARG 91 - HA GLU 17 far 0 58 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 2876 from cnoeabs.peaks (1.60, 4.08, 58.43 ppm; 3.80 A): 3 out of 16 assignments used, quality = 1.00: * HD2 LYS 66 + HA LYS 66 OK 100 100 100 100 3.2-3.8 1.8/2942=81, 2931=55...(50) HG2 LYS 24 + HA LYS 24 OK 61 61 100 100 2.4-4.1 3.7=100 HG3 LYS 90 + HA GLU 17 OK 29 52 70 80 3.7-6.1 12027/2.9=33...(16) HG2 ARG 19 - HA GLU 17 far 5 52 10 - 4.6-8.2 HG3 LYS 47 - HA ARG 46 far 0 73 0 - 5.4-6.8 HG LEU 27 - HA LYS 24 far 0 67 0 - 6.5-7.5 HD3 LYS 94 - HA LYS 24 far 0 67 0 - 7.6-11.8 HG3 LYS 73 - HA LYS 66 far 0 100 0 - 7.7-10.6 HD2 LYS 94 - HA LYS 24 far 0 53 0 - 7.8-10.8 HB3 LEU 29 - HA GLU 17 far 0 58 0 - 8.3-9.6 HG3 LYS 12 - HA GLU 17 far 0 58 0 - 8.5-12.2 HD2 LYS 94 - HA GLU 17 far 0 46 0 - 8.5-12.5 HD3 LYS 94 - HA GLU 17 far 0 59 0 - 8.7-12.2 HG2 LYS 24 - HA GLU 17 far 0 53 0 - 8.8-11.4 HB3 LEU 29 - HA LYS 24 far 0 67 0 - 9.1-10.2 HG2 ARG 19 - HA LYS 24 far 0 60 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 2877 from cnoeabs.peaks (1.70, 4.08, 58.43 ppm; 3.27 A): 7 out of 29 assignments used, quality = 1.00: * HD3 LYS 66 + HA LYS 66 OK 100 100 100 100 1.9-2.3 2942=79, 2943/3.0=46...(49) HG LEU 70 + HA LYS 66 OK 81 100 100 81 3.3-4.5 3150/7139=25...(18) HD2 LYS 24 + HA LYS 24 OK 66 67 100 99 3.3-4.7 3.0/1096=40, 4.9=29...(72) HD3 LYS 24 + HA LYS 24 OK 53 67 80 99 2.1-4.9 3.0/1096=40, 4.9=29...(72) HD2 LYS 20 + HA GLU 17 OK 35 45 100 78 1.8-3.6 2.8/894=16, 2.8/883=13...(30) HD3 LYS 20 + HA GLU 17 OK 33 42 100 78 1.8-4.4 2.8/894=16, 2.8/883=13...(29) HG3 LYS 20 + HA GLU 17 OK 31 42 95 79 2.1-4.8 894=17, 1.8/883=16...(27) HD3 LYS 90 - HA GLU 17 far 9 58 15 - 4.1-7.3 HB ILE 52 - HA ARG 46 far 3 59 5 - 4.0-7.7 HD2 LYS 90 - HA GLU 17 far 1 29 5 - 3.6-6.8 HB3 LEU 70 - HA LYS 66 far 0 97 0 - 6.2-7.5 HG2 PRO 86 - HA GLU 17 far 0 57 0 - 6.5-8.5 HD3 LYS 47 - HA ARG 46 far 0 75 0 - 6.8-8.2 HD2 LYS 73 - HA LYS 66 far 0 70 0 - 7.0-9.6 HG3 LYS 20 - HA LYS 24 far 0 49 0 - 7.0-9.2 HD3 LYS 13 - HA GLU 17 far 0 59 0 - 7.2-11.0 HD2 LYS 47 - HA ARG 46 far 0 73 0 - 7.2-8.6 HD2 LYS 13 - HA GLU 17 far 0 59 0 - 7.3-10.7 HD3 LYS 73 - HA LYS 66 far 0 65 0 - 7.3-10.6 HB2 LEU 2 - HA ARG 46 far 0 87 0 - 7.4-11.9 HB ILE 15 - HA GLU 17 far 0 41 0 - 7.7-7.9 HD3 LYS 24 - HA GLU 17 far 0 58 0 - 8.0-12.2 HD3 LYS 12 - HA GLU 17 far 0 59 0 - 8.4-12.9 HD2 LYS 12 - HA GLU 17 far 0 59 0 - 8.4-11.3 HD3 LYS 20 - HA LYS 24 far 0 49 0 - 8.7-10.6 HG12 ILE 15 - HA GLU 17 far 0 57 0 - 8.8-9.0 HB3 LYS 53 - HA ARG 46 far 0 79 0 - 8.9-12.0 HD2 LYS 20 - HA LYS 24 far 0 52 0 - 9.0-10.6 HD2 LYS 24 - HA GLU 17 far 0 58 0 - 9.2-12.8 Violated in 0 structures by 0.00 A. Peak 2878 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 4.13 A): 4 out of 15 assignments used, quality = 1.00: * HE2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.6-4.3 2.9/2942=72, 2.9/2931=42...(55) HE3 LYS 66 + HA LYS 66 OK 100 100 100 100 1.9-4.1 2.9/2942=72, 2.9/2931=42...(55) HE2 LYS 20 + HA GLU 17 OK 41 52 100 81 2.9-5.1 3.6/894=21, 3.6/883=16...(22) HE3 LYS 20 + HA GLU 17 OK 41 51 100 81 2.0-4.9 3.6/894=21, 3.6/883=16...(24) HE2 LYS 94 - HA LYS 24 far 0 51 0 - 6.1-12.9 HE3 LYS 68 - HA LYS 66 far 0 98 0 - 6.4-9.7 HE2 LYS 68 - HA LYS 66 far 0 96 0 - 6.6-10.3 HE3 LYS 20 - HA LYS 24 far 0 59 0 - 7.4-10.7 HE2 LYS 20 - HA LYS 24 far 0 60 0 - 7.4-9.6 HE3 LYS 94 - HA LYS 24 far 0 60 0 - 7.7-13.7 HE2 LYS 39 - HA LYS 66 far 0 87 0 - 8.6-12.7 HE3 LYS 94 - HA GLU 17 far 0 52 0 - 8.9-12.7 HE2 LYS 94 - HA GLU 17 far 0 44 0 - 9.2-12.2 HB2 ASN 60 - HA LYS 66 far 0 100 0 - 9.3-10.2 HE3 LYS 39 - HA LYS 66 far 0 94 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 2879 from cnoeabs.peaks (2.90, 4.08, 58.43 ppm; 3.89 A): 4 out of 18 assignments used, quality = 1.00: * HE3 LYS 66 + HA LYS 66 OK 100 100 100 100 1.9-4.1 2.9/2942=65, 2.9/2931=38...(55) HE2 LYS 66 + HA LYS 66 OK 100 100 100 100 2.6-4.3 2.9/2942=65, 2.9/2931=38...(54) HE3 LYS 20 + HA GLU 17 OK 43 55 100 78 2.0-4.9 3.6/894=19, 3.6/883=15...(24) HE2 LYS 20 + HA GLU 17 OK 43 56 100 77 2.9-5.1 3.6/894=19, 3.6/883=15...(22) HE3 LYS 90 - HA GLU 17 poor 16 33 50 - 4.1-6.8 HG2 MET 21 - HA GLU 17 far 3 28 10 - 5.3-7.9 HE2 LYS 94 - HA LYS 24 far 0 58 0 - 6.1-12.9 HE3 LYS 68 - HA LYS 66 far 0 100 0 - 6.4-9.7 HE2 LYS 68 - HA LYS 66 far 0 99 0 - 6.6-10.3 HE3 LYS 20 - HA LYS 24 far 0 64 0 - 7.4-10.7 HE2 LYS 20 - HA LYS 24 far 0 64 0 - 7.4-9.6 HG2 MET 21 - HA LYS 24 far 0 33 0 - 7.6-9.7 HE3 LYS 94 - HA LYS 24 far 0 65 0 - 7.7-13.7 HE2 LYS 39 - HA LYS 66 far 0 77 0 - 8.6-12.7 HE3 LYS 94 - HA GLU 17 far 0 56 0 - 8.9-12.7 HE2 LYS 94 - HA GLU 17 far 0 50 0 - 9.2-12.2 HB2 ASN 60 - HA LYS 66 far 0 99 0 - 9.3-10.2 HE3 LYS 39 - HA LYS 66 far 0 87 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 2880 from cnoeabs.peaks (8.48, 4.08, 58.43 ppm; 4.16 A): 1 out of 5 assignments used, quality = 1.00: * H ALA 67 + HA LYS 66 OK 100 100 100 100 3.6-3.6 3.6=100 H LYS 53 - HA ARG 46 far 0 82 0 - 6.7-9.5 H VAL 54 - HA ARG 46 far 0 84 0 - 7.8-10.5 H LEU 2 - HA ARG 46 far 0 62 0 - 8.5-12.4 H LEU 29 - HA LYS 24 far 0 46 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 2881 from cnoeabs.peaks (7.90, 4.08, 58.43 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 69 + HA LYS 66 OK 100 100 100 100 3.5-4.1 7119=100, 7137/7139=41...(21) H ASP 65 + HA LYS 66 OK 75 94 85 94 5.0-5.4 7057/3.0=61, 7058/3.6=37...(13) H GLN 72 - HA LYS 66 far 0 100 0 - 7.6-8.7 H GLN 72 - HA ARG 46 far 0 86 0 - 9.9-12.7 Violated in 5 structures by 0.02 A. Peak 2882 from cnoeabs.peaks (2.13, 4.08, 58.43 ppm; 3.21 A): 4 out of 16 assignments used, quality = 0.98: * HB2 GLU 69 + HA LYS 66 OK 84 100 100 84 3.0-4.3 3102=41, 4.0/7119=31...(16) HG2 GLU 69 + HA LYS 66 OK 69 100 85 82 2.5-5.5 3110/7119=37...(19) HB3 GLU 23 + HA LYS 24 OK 37 49 95 80 4.3-5.6 1034/3.0=23, 3102=18...(15) HB3 GLU 16 + HA GLU 17 OK 22 28 95 84 4.2-5.1 ~6250=27, ~702=26...(14) HB3 GLU 69 - HA LYS 66 far 10 100 10 - 2.8-5.8 HB3 PRO 86 - HA GLU 17 far 0 47 0 - 4.7-6.6 HB2 GLU 75 - HA ARG 46 far 0 84 0 - 4.9-8.4 HB2 PRO 86 - HA GLU 17 far 0 58 0 - 5.2-6.9 QE MET 21 - HA LYS 24 far 0 47 0 - 5.6-6.5 HB3 GLU 62 - HA LYS 66 far 0 61 0 - 6.3-7.9 QE MET 21 - HA GLU 17 far 0 41 0 - 6.5-7.9 HG2 GLU 44 - HA ARG 46 far 0 85 0 - 7.3-9.6 HB2 LEU 64 - HA LYS 66 far 0 97 0 - 7.4-8.1 HB3 GLU 23 - HA GLU 17 far 0 42 0 - 7.7-10.2 HB3 GLU 37 - HA LYS 66 far 0 100 0 - 9.8-13.1 HB2 GLN 72 - HA LYS 66 far 0 63 0 - 10.0-11.0 Violated in 1 structures by 0.01 A. Peak 2883 from cnoeabs.peaks (2.13, 4.08, 58.43 ppm; 3.21 A): 4 out of 16 assignments used, quality = 0.98: HB2 GLU 69 + HA LYS 66 OK 84 100 100 84 3.0-4.3 3102=41, 4.0/7119=31...(16) HG2 GLU 69 + HA LYS 66 OK 69 100 85 82 2.5-5.5 3110/7119=37...(19) HB3 GLU 23 + HA LYS 24 OK 37 49 95 80 4.3-5.6 1034/3.0=23, 3102=18...(15) HB3 GLU 16 + HA GLU 17 OK 22 28 95 84 4.2-5.1 ~6250=27, ~702=26...(14) ! HB3 GLU 69 - HA LYS 66 far 10 100 10 - 2.8-5.8 HB3 PRO 86 - HA GLU 17 far 0 47 0 - 4.7-6.6 HB2 GLU 75 - HA ARG 46 far 0 84 0 - 4.9-8.4 HB2 PRO 86 - HA GLU 17 far 0 58 0 - 5.2-6.9 QE MET 21 - HA LYS 24 far 0 47 0 - 5.6-6.5 HB3 GLU 62 - HA LYS 66 far 0 61 0 - 6.3-7.9 QE MET 21 - HA GLU 17 far 0 41 0 - 6.5-7.9 HG2 GLU 44 - HA ARG 46 far 0 85 0 - 7.3-9.6 HB2 LEU 64 - HA LYS 66 far 0 97 0 - 7.4-8.1 HB3 GLU 23 - HA GLU 17 far 0 42 0 - 7.7-10.2 HB3 GLU 37 - HA LYS 66 far 0 100 0 - 9.8-13.1 HB2 GLN 72 - HA LYS 66 far 0 63 0 - 10.0-11.0 Violated in 1 structures by 0.01 A. Peak 2884 from cnoeabs.peaks (3.91, 1.77, 31.73 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HA GLU 63 + HB2 LYS 66 OK 100 100 100 100 2.6-4.5 7061/7069=62...(22) HA GLU 35 + HB2 LYS 66 OK 60 82 95 77 3.0-5.7 2896/1.8=23...(22) HA LEU 38 - HB2 LYS 66 far 0 57 0 - 6.7-9.9 Violated in 0 structures by 0.00 A. Peak 2885 from cnoeabs.peaks (7.80, 1.77, 31.73 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.1-3.6 7069=100, 7070/1.8=84...(24) H LYS 73 - HB2 LYS 66 far 0 59 0 - 9.8-11.2 H TYR 41 - HB2 LYS 66 far 0 91 0 - 10.0-12.9 Violated in 17 structures by 0.06 A. Peak 2886 from cnoeabs.peaks (4.08, 1.77, 31.73 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-2.7 3.0=100 Violated in 0 structures by 0.00 A. Peak 2887 from cnoeabs.peaks (1.77, 1.77, 31.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 66 + HB2 LYS 66 OK 100 100 - 100 Peak 2888 from cnoeabs.peaks (1.86, 1.77, 31.73 ppm; 2.69 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 68 - HB2 LYS 66 far 0 99 0 - 6.3-7.1 HB2 LYS 68 - HB2 LYS 66 far 0 88 0 - 7.4-8.3 HB ILE 8 - HB2 LYS 66 far 0 70 0 - 7.4-8.6 HB3 LYS 39 - HB2 LYS 66 far 0 100 0 - 7.9-11.0 HG LEU 42 - HB2 LYS 66 far 0 68 0 - 8.4-11.6 Violated in 0 structures by 0.00 A. Peak 2889 from cnoeabs.peaks (1.49, 1.77, 31.73 ppm; 3.25 A): 2 out of 9 assignments used, quality = 1.00: * HG2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 38 - HB2 LYS 66 poor 20 73 45 60 3.5-7.9 ~9517=14, 2.1/9514=9...(21) HB2 LEU 38 - HB2 LYS 66 poor 13 65 20 - 4.3-7.9 HG LEU 64 - HB2 LYS 66 far 0 99 0 - 7.2-8.3 HB3 LEU 64 - HB2 LYS 66 far 0 100 0 - 7.2-8.8 HG12 ILE 56 - HB2 LYS 66 far 0 57 0 - 8.6-10.7 HD2 LYS 82 - HB2 LYS 66 far 0 73 0 - 8.7-13.4 HG2 LYS 73 - HB2 LYS 66 far 0 100 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2890 from cnoeabs.peaks (1.49, 1.77, 31.73 ppm; 3.25 A): 2 out of 9 assignments used, quality = 1.00: * HG3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HG LEU 38 - HB2 LYS 66 poor 19 70 45 60 3.5-7.9 ~9517=14, 2.1/9514=9...(21) HB2 LEU 38 - HB2 LYS 66 poor 12 61 20 - 4.3-7.9 HG LEU 64 - HB2 LYS 66 far 0 98 0 - 7.2-8.3 HB3 LEU 64 - HB2 LYS 66 far 0 100 0 - 7.2-8.8 HG12 ILE 56 - HB2 LYS 66 far 0 61 0 - 8.6-10.7 HD2 LYS 82 - HB2 LYS 66 far 0 70 0 - 8.7-13.4 HG2 LYS 73 - HB2 LYS 66 far 0 100 0 - 9.0-11.8 Violated in 0 structures by 0.00 A. Peak 2891 from cnoeabs.peaks (1.60, 1.77, 31.73 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * HD2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 3.2-3.8 3.6=100 HG3 LYS 73 - HB2 LYS 66 far 0 100 0 - 9.0-12.0 HD3 LYS 82 - HB2 LYS 66 far 0 68 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 2892 from cnoeabs.peaks (1.70, 1.77, 31.73 ppm; 3.47 A): 2 out of 5 assignments used, quality = 1.00: * HD3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.4-3.1 2943=94, 2942/3.0=52...(47) HG LEU 70 + HB2 LYS 66 OK 58 100 85 68 3.5-5.3 3831/3.0=15...(15) HB3 LEU 70 - HB2 LYS 66 far 0 97 0 - 6.3-8.2 HD2 LYS 73 - HB2 LYS 66 far 0 70 0 - 8.4-10.8 HD3 LYS 73 - HB2 LYS 66 far 0 65 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 2893 from cnoeabs.peaks (2.90, 1.77, 31.73 ppm; 4.41 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.1-4.6 4.7=81, 2.9/2943=79...(55) HE3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.0-4.4 4.7=81, 2.9/2943=79...(55) HB2 ASN 60 - HB2 LYS 66 far 0 100 0 - 6.9-9.6 HE2 LYS 39 - HB2 LYS 66 far 0 87 0 - 8.0-13.1 HE3 LYS 68 - HB2 LYS 66 far 0 98 0 - 8.4-11.2 HE2 LYS 68 - HB2 LYS 66 far 0 96 0 - 8.5-11.9 HE3 LYS 39 - HB2 LYS 66 far 0 94 0 - 8.9-12.8 Violated in 0 structures by 0.00 A. Peak 2894 from cnoeabs.peaks (2.90, 1.77, 31.73 ppm; 4.38 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.0-4.4 4.7=79, 2.9/2943=78...(55) HE2 LYS 66 + HB2 LYS 66 OK 100 100 100 100 2.1-4.6 4.7=79, 2.9/2943=78...(55) HB2 ASN 60 - HB2 LYS 66 far 0 99 0 - 6.9-9.6 HE2 LYS 39 - HB2 LYS 66 far 0 77 0 - 8.0-13.1 HE3 LYS 68 - HB2 LYS 66 far 0 100 0 - 8.4-11.2 HE2 LYS 68 - HB2 LYS 66 far 0 99 0 - 8.5-11.9 HE3 LYS 39 - HB2 LYS 66 far 0 87 0 - 8.9-12.8 Violated in 0 structures by 0.00 A. Peak 2895 from cnoeabs.peaks (8.48, 1.77, 31.73 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 67 + HB2 LYS 66 OK 100 100 100 100 2.9-3.5 7086=86, 2907/1.8=74...(24) H VAL 32 - HB2 LYS 66 far 0 100 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 2896 from cnoeabs.peaks (3.91, 1.86, 31.73 ppm; 4.04 A): 3 out of 6 assignments used, quality = 1.00: * HA GLU 63 + HB3 LYS 66 OK 100 100 100 100 2.0-3.6 2771=67, 7061/7070=63...(23) HA GLU 35 + HB3 LYS 66 OK 52 82 85 75 3.8-6.1 2884/1.8=28...(19) HA ARG 91 + HB3 LYS 90 OK 23 25 95 95 4.2-5.6 ~7435=28, 3.0/7434=25...(20) HA ALA 89 - HB3 LYS 90 far 0 33 0 - 6.1-6.6 HA LEU 38 - HB3 LYS 66 far 0 57 0 - 6.3-9.8 HB2 SER 85 - HB3 LYS 90 far 0 34 0 - 8.7-11.1 Violated in 0 structures by 0.00 A. Peak 2897 from cnoeabs.peaks (7.80, 1.86, 31.73 ppm; 3.35 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.2-3.0 7070=100, 7069/1.8=77...(23) H LYS 20 - HB3 LYS 90 far 0 34 0 - 5.4-7.7 H SER 9 - HB3 LYS 66 far 0 99 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 2898 from cnoeabs.peaks (4.08, 1.86, 31.73 ppm; 3.49 A): 1 out of 6 assignments used, quality = 1.00: * HA LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 17 - HB3 LYS 90 poor 12 26 45 - 4.1-6.5 HA PRO 86 - HB3 LYS 90 far 0 33 0 - 5.3-6.9 HA LYS 20 - HB3 LYS 90 far 0 25 0 - 7.1-8.9 HA GLU 16 - HB3 LYS 90 far 0 20 0 - 7.6-10.1 HA LYS 24 - HB3 LYS 90 far 0 27 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 2899 from cnoeabs.peaks (1.77, 1.86, 31.73 ppm; 2.68 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 LYS 90 + HB3 LYS 90 OK 23 25 100 95 2.0-4.2 3.6=41, 3970/1.8=17...(46) HB3 GLU 63 - HB3 LYS 66 far 0 98 0 - 4.3-5.7 HB2 LYS 39 - HB3 LYS 66 far 0 73 0 - 7.2-11.4 HB ILE 56 - HB3 LYS 66 far 0 100 0 - 7.6-8.8 HG3 ARG 19 - HB3 LYS 90 far 0 35 0 - 8.2-11.1 Violated in 0 structures by 0.00 A. Peak 2900 from cnoeabs.peaks (1.86, 1.86, 31.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 66 + HB3 LYS 66 OK 100 100 - 100 HB3 LYS 90 + HB3 LYS 90 OK 25 25 - 100 Peak 2901 from cnoeabs.peaks (1.49, 1.86, 31.73 ppm; 3.18 A): 2 out of 15 assignments used, quality = 1.00: * HG2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.6 3.0=100 HG3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.3-2.5 3.0=100 HG LEU 38 - HB3 LYS 66 poor 15 73 40 52 2.9-8.5 ~9517=13, 2.1/9516=7...(17) HB2 LEU 38 - HB3 LYS 66 far 7 65 10 - 4.5-7.3 HB2 ARG 91 - HB3 LYS 90 far 0 35 0 - 5.7-6.7 HG LEU 64 - HB3 LYS 66 far 0 99 0 - 6.5-7.5 HB3 LEU 64 - HB3 LYS 66 far 0 100 0 - 6.8-7.7 HB2 LEU 14 - HB3 LYS 90 far 0 22 0 - 6.9-9.2 HG3 LYS 24 - HB3 LYS 90 far 0 31 0 - 7.1-10.2 HG12 ILE 56 - HB3 LYS 66 far 0 57 0 - 7.2-10.3 HG LEU 57 - HB3 LYS 90 far 0 34 0 - 7.3-8.5 HD2 LYS 82 - HB3 LYS 66 far 0 73 0 - 8.4-11.7 HB ILE 7 - HB3 LYS 90 far 0 22 0 - 8.6-10.6 HG2 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.5-12.1 HG3 LYS 33 - HB3 LYS 66 far 0 98 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 2902 from cnoeabs.peaks (1.49, 1.86, 31.73 ppm; 3.18 A): 2 out of 15 assignments used, quality = 1.00: * HG3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.3-2.5 3.0=100 HG2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 2.4-2.6 3.0=100 HG LEU 38 - HB3 LYS 66 poor 14 70 40 52 2.9-8.5 ~9517=13, 2.1/9516=7...(17) HB2 LEU 38 - HB3 LYS 66 far 6 61 10 - 4.5-7.3 HB2 ARG 91 - HB3 LYS 90 far 0 35 0 - 5.7-6.7 HG LEU 64 - HB3 LYS 66 far 0 98 0 - 6.5-7.5 HB3 LEU 64 - HB3 LYS 66 far 0 100 0 - 6.8-7.7 HB2 LEU 14 - HB3 LYS 90 far 0 23 0 - 6.9-9.2 HG3 LYS 24 - HB3 LYS 90 far 0 32 0 - 7.1-10.2 HG12 ILE 56 - HB3 LYS 66 far 0 61 0 - 7.2-10.3 HG LEU 57 - HB3 LYS 90 far 0 34 0 - 7.3-8.5 HD2 LYS 82 - HB3 LYS 66 far 0 70 0 - 8.4-11.7 HB ILE 7 - HB3 LYS 90 far 0 23 0 - 8.6-10.6 HG2 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.5-12.1 HG3 LYS 33 - HB3 LYS 66 far 0 99 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 2903 from cnoeabs.peaks (1.60, 1.86, 31.73 ppm; 4.19 A): 2 out of 10 assignments used, quality = 1.00: * HD2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 4.1-4.2 3.6=100 HG3 LYS 90 + HB3 LYS 90 OK 31 31 100 100 2.2-2.8 2.8=100 HD2 LYS 94 - HB3 LYS 90 poor 18 27 65 - 3.8-8.8 HD3 LYS 94 - HB3 LYS 90 poor 10 35 75 36 3.2-7.6 3916/3.0=14, 7436/4.1=13...(5) HG2 LYS 24 - HB3 LYS 90 far 0 32 0 - 6.5-10.6 HB3 LEU 29 - HB3 LYS 90 far 0 35 0 - 7.7-10.1 HG2 ARG 19 - HB3 LYS 90 far 0 31 0 - 7.8-11.2 HD3 LYS 82 - HB3 LYS 66 far 0 68 0 - 9.2-10.8 HG LEU 27 - HB3 LYS 90 far 0 35 0 - 9.3-11.6 HG3 LYS 73 - HB3 LYS 66 far 0 100 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 2904 from cnoeabs.peaks (1.70, 1.86, 31.73 ppm; 3.48 A): 2 out of 17 assignments used, quality = 1.00: * HD3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.5-3.7 3.6=89, 2943/1.8=70...(43) HD3 LYS 90 + HB3 LYS 90 OK 35 35 100 100 2.9-3.9 3.6=89, 3981/1.8=42...(47) HG LEU 70 - HB3 LYS 66 poor 20 100 20 - 4.2-5.6 HG3 LYS 20 - HB3 LYS 90 far 4 25 15 - 4.3-8.7 HD2 LYS 20 - HB3 LYS 90 far 0 27 0 - 5.3-8.5 HD3 LYS 20 - HB3 LYS 90 far 0 25 0 - 5.7-8.9 HB3 ARG 91 - HB3 LYS 90 far 0 30 0 - 6.2-7.3 HB3 LEU 70 - HB3 LYS 66 far 0 97 0 - 6.6-8.4 HD3 LYS 24 - HB3 LYS 90 far 0 35 0 - 7.1-11.6 HG2 PRO 86 - HB3 LYS 90 far 0 34 0 - 7.2-8.6 HD3 LYS 13 - HB3 LYS 90 far 0 36 0 - 8.3-14.1 HD2 LYS 24 - HB3 LYS 90 far 0 35 0 - 8.3-11.8 HD2 LYS 13 - HB3 LYS 90 far 0 36 0 - 8.8-13.5 HD2 LYS 73 - HB3 LYS 66 far 0 70 0 - 9.0-12.2 HG12 ILE 15 - HB3 LYS 90 far 0 34 0 - 9.1-11.3 HB ILE 15 - HB3 LYS 90 far 0 24 0 - 9.3-11.8 HD3 LYS 73 - HB3 LYS 66 far 0 65 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 2905 from cnoeabs.peaks (2.90, 1.86, 31.73 ppm; 4.16 A): 2 out of 10 assignments used, quality = 1.00: * HE2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.3-5.1 4.7=68, 2.9/2904=54...(48) HE3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.4-4.6 4.7=68, 2.9/2904=54...(48) HE3 LYS 94 - HB3 LYS 90 poor 8 31 25 - 4.9-8.0 HE2 LYS 94 - HB3 LYS 90 poor 8 26 30 - 4.7-8.2 HE2 LYS 20 - HB3 LYS 90 far 0 31 0 - 6.1-10.1 HE3 LYS 20 - HB3 LYS 90 far 0 30 0 - 6.8-9.1 HB2 ASN 60 - HB3 LYS 66 far 0 100 0 - 7.0-8.6 HE3 LYS 68 - HB3 LYS 66 far 0 98 0 - 7.6-10.4 HE2 LYS 68 - HB3 LYS 66 far 0 96 0 - 7.7-11.0 HE2 LYS 39 - HB3 LYS 66 far 0 87 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 2906 from cnoeabs.peaks (2.90, 1.86, 31.73 ppm; 4.05 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.4-4.6 4.7=63, 2.9/2904=52...(47) HE2 LYS 66 + HB3 LYS 66 OK 100 100 100 100 3.3-5.1 4.7=63, 2.9/2904=52...(47) HE2 LYS 94 - HB3 LYS 90 poor 9 30 30 - 4.7-8.2 HE3 LYS 94 - HB3 LYS 90 poor 8 34 25 - 4.9-8.0 HE2 LYS 20 - HB3 LYS 90 far 0 34 0 - 6.1-10.1 HE3 LYS 20 - HB3 LYS 90 far 0 33 0 - 6.8-9.1 HB2 ASN 60 - HB3 LYS 66 far 0 99 0 - 7.0-8.6 HE3 LYS 68 - HB3 LYS 66 far 0 100 0 - 7.6-10.4 HE2 LYS 68 - HB3 LYS 66 far 0 99 0 - 7.7-11.0 HE2 LYS 39 - HB3 LYS 66 far 0 77 0 - 9.2-13.2 Violated in 0 structures by 0.00 A. Peak 2907 from cnoeabs.peaks (8.48, 1.86, 31.73 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 67 + HB3 LYS 66 OK 100 100 100 100 2.1-2.6 2895/1.8=75...(22) H VAL 32 - HB3 LYS 66 far 0 100 0 - 9.0-10.9 H LEU 29 - HB3 LYS 90 far 0 23 0 - 9.8-11.6 H ILE 7 - HB3 LYS 66 far 0 90 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 2908 from cnoeabs.peaks (7.80, 1.49, 24.58 ppm; 3.61 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 66 + HG2 LYS 66 OK 100 100 100 100 1.9-4.5 7070/3.0=66, 7069/3.0=63...(31) H LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.4-4.6 7070/3.0=66, 7069/3.0=63...(27) H SER 9 - HG3 LYS 33 far 0 71 0 - 7.2-8.7 HE ARG 30 - HG3 LYS 33 far 0 68 0 - 8.1-11.9 H TYR 41 - HG3 LYS 33 far 0 61 0 - 8.2-9.4 H LYS 73 - HG3 LYS 66 far 0 59 0 - 9.2-12.8 H TYR 41 - HG3 LYS 66 far 0 91 0 - 9.8-13.9 Violated in 3 structures by 0.06 A. Peak 2909 from cnoeabs.peaks (4.08, 1.49, 24.58 ppm; 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.7-3.6 3.7=81, 2942/2.9=53...(35) HA LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.8-3.8 3.7=81, 2942/2.9=53...(33) Violated in 0 structures by 0.00 A. Peak 2910 from cnoeabs.peaks (1.77, 1.49, 24.58 ppm; 3.12 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 63 - HG2 LYS 66 far 0 98 0 - 4.6-7.3 HB3 GLU 63 - HG3 LYS 66 far 0 98 0 - 5.4-8.1 HB2 LYS 39 - HG3 LYS 66 far 0 73 0 - 5.6-12.7 HB2 LYS 39 - HG2 LYS 66 far 0 73 0 - 7.0-13.1 HB ILE 56 - HG2 LYS 66 far 0 100 0 - 9.3-11.1 HB3 GLU 63 - HG3 LYS 33 far 0 69 0 - 9.5-11.9 HB2 LYS 39 - HG3 LYS 33 far 0 46 0 - 9.9-12.4 HB ILE 56 - HG3 LYS 66 far 0 100 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 2911 from cnoeabs.peaks (1.86, 1.49, 24.58 ppm; 3.13 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 LYS 68 - HG2 LYS 66 far 0 99 0 - 6.4-8.5 HB ILE 8 - HG2 LYS 66 far 0 70 0 - 6.9-9.5 HB3 LYS 39 - HG3 LYS 66 far 0 100 0 - 6.9-13.5 HB ILE 8 - HG3 LYS 66 far 0 69 0 - 7.0-9.4 HB3 LYS 68 - HG3 LYS 66 far 0 99 0 - 7.4-8.3 HB2 LYS 68 - HG2 LYS 66 far 0 88 0 - 7.6-9.9 HB ILE 8 - HG3 LYS 33 far 0 43 0 - 8.2-9.3 HB3 LYS 39 - HG2 LYS 66 far 0 100 0 - 8.4-13.8 HB2 LYS 68 - HG3 LYS 66 far 0 88 0 - 8.5-9.9 HG LEU 42 - HG3 LYS 66 far 0 67 0 - 8.7-12.8 HB3 LYS 66 - HG3 LYS 33 far 0 73 0 - 10.0-11.6 HG LEU 42 - HG2 LYS 66 far 0 68 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 2912 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 68 68 - 100 Peak 2913 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 70 70 - 100 Reference assignment not found: HG3 LYS 66 - HG2 LYS 66 Peak 2914 from cnoeabs.peaks (1.60, 1.49, 24.58 ppm; 2.56 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 66 + HG3 LYS 66 OK 93 100 100 93 2.2-2.9 2.9=66, 2932/3.0=18...(35) * HD2 LYS 66 + HG2 LYS 66 OK 93 100 100 93 2.2-2.7 2.9=66, 2932/3.0=18...(34) HB2 ARG 30 - HG3 LYS 33 far 0 73 0 - 7.3-10.0 HG3 LYS 73 - HG3 LYS 66 far 0 100 0 - 8.3-14.2 HD3 LYS 82 - HG2 LYS 66 far 0 68 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 2915 from cnoeabs.peaks (1.70, 1.49, 24.58 ppm; 2.68 A): 4 out of 17 assignments used, quality = 1.00: HD3 LYS 66 + HG3 LYS 66 OK 97 100 100 97 2.7-3.0 2.9=76, 2943/3.0=30...(37) * HD3 LYS 66 + HG2 LYS 66 OK 97 100 100 97 2.4-2.9 2.9=76, 2943/3.0=30...(38) HD3 LYS 33 + HG3 LYS 33 OK 57 58 100 98 2.2-2.6 3.0=74, 1483/1.8=19...(49) HD2 LYS 33 + HG3 LYS 33 OK 57 58 100 98 2.7-3.0 3.0=74, 1483/1.8=19...(49) HG LEU 70 - HG3 LYS 66 far 15 100 15 - 2.8-7.1 HG LEU 70 - HG2 LYS 66 far 0 100 0 - 4.5-7.0 HB3 LEU 70 - HG3 LYS 66 far 0 97 0 - 5.5-9.9 HB3 LEU 70 - HG2 LYS 66 far 0 97 0 - 7.2-9.9 HD2 LYS 73 - HG3 LYS 66 far 0 69 0 - 7.3-12.3 HB3 LYS 40 - HG3 LYS 33 far 0 64 0 - 7.6-9.1 HD2 LYS 73 - HG2 LYS 66 far 0 70 0 - 8.9-12.0 HD3 LYS 73 - HG3 LYS 66 far 0 65 0 - 8.9-13.7 HG12 ILE 15 - HG3 LYS 33 far 0 71 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 73 0 - 9.7-13.2 HD3 LYS 33 - HG3 LYS 66 far 0 88 0 - 9.8-12.6 HD3 LYS 73 - HG2 LYS 66 far 0 65 0 - 9.9-13.7 HD3 LYS 12 - HG3 LYS 33 far 0 73 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 2916 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.65 A): 4 out of 14 assignments used, quality = 1.00: * HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-4.2 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-4.2 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.3-4.2 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HB2 ASN 60 - HG2 LYS 66 far 0 100 0 - 6.7-8.8 HB2 ASN 60 - HG3 LYS 66 far 0 100 0 - 6.8-10.1 HE3 LYS 68 - HG2 LYS 66 far 0 98 0 - 7.7-12.5 HE2 LYS 68 - HG2 LYS 66 far 0 96 0 - 7.8-13.1 HE2 LYS 39 - HG3 LYS 66 far 0 87 0 - 8.7-13.3 HE3 LYS 39 - HG3 LYS 66 far 0 94 0 - 9.1-13.5 HE3 LYS 68 - HG3 LYS 66 far 0 97 0 - 9.2-12.5 HE2 LYS 68 - HG3 LYS 66 far 0 96 0 - 9.3-12.7 HE2 LYS 39 - HG2 LYS 66 far 0 87 0 - 9.6-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 45 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 2917 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.67 A): 4 out of 14 assignments used, quality = 1.00: * HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.3-4.2 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-4.2 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-4.2 3.6=100 HB2 ASN 60 - HG2 LYS 66 far 0 99 0 - 6.7-8.8 HB2 ASN 60 - HG3 LYS 66 far 0 99 0 - 6.8-10.1 HE3 LYS 68 - HG2 LYS 66 far 0 100 0 - 7.7-12.5 HE2 LYS 68 - HG2 LYS 66 far 0 99 0 - 7.8-13.1 HE2 LYS 39 - HG3 LYS 66 far 0 77 0 - 8.7-13.3 HE3 LYS 39 - HG3 LYS 66 far 0 87 0 - 9.1-13.5 HE3 LYS 68 - HG3 LYS 66 far 0 100 0 - 9.2-12.5 HE2 LYS 68 - HG3 LYS 66 far 0 99 0 - 9.3-12.7 HE2 LYS 39 - HG2 LYS 66 far 0 77 0 - 9.6-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 53 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 2918 from cnoeabs.peaks (8.48, 1.49, 24.58 ppm; 4.56 A): 3 out of 6 assignments used, quality = 1.00: * H ALA 67 + HG2 LYS 66 OK 100 100 100 100 3.9-4.7 2895/3.0=77, 2907/3.0=76...(20) H ALA 67 + HG3 LYS 66 OK 100 100 100 100 4.0-4.9 2895/3.0=77, 2907/3.0=76...(18) H VAL 32 + HG3 LYS 33 OK 71 73 100 97 4.6-5.6 3.0/10145=63...(9) H THR 31 - HG3 LYS 33 far 3 66 5 - 5.9-7.5 H ILE 7 - HG3 LYS 33 far 0 60 0 - 7.6-9.8 H VAL 32 - HG3 LYS 66 far 0 100 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2919 from cnoeabs.peaks (7.80, 1.49, 24.58 ppm; 3.69 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 66 + HG3 LYS 66 OK 100 100 100 100 3.4-4.6 7070/3.0=69, 7069/3.0=66...(28) H LYS 66 + HG2 LYS 66 OK 100 100 100 100 1.9-4.5 7070/3.0=69, 7069/3.0=66...(31) H SER 9 - HG3 LYS 33 far 0 73 0 - 7.2-8.7 HE ARG 30 - HG3 LYS 33 far 0 71 0 - 8.1-11.9 H TYR 41 - HG3 LYS 33 far 0 63 0 - 8.2-9.4 H LYS 73 - HG3 LYS 66 far 0 59 0 - 9.2-12.8 H TYR 41 - HG3 LYS 66 far 0 91 0 - 9.8-13.9 Violated in 3 structures by 0.05 A. Peak 2920 from cnoeabs.peaks (4.08, 1.49, 24.58 ppm; 3.46 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.8-3.8 3.7=80, 2942/2.9=53...(33) HA LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.7-3.6 3.7=80, 2942/2.9=53...(35) Violated in 0 structures by 0.00 A. Peak 2921 from cnoeabs.peaks (1.77, 1.49, 24.58 ppm; 3.18 A): 2 out of 10 assignments used, quality = 1.00: * HB2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLU 63 - HG2 LYS 66 far 5 98 5 - 4.6-7.3 HB3 GLU 63 - HG3 LYS 66 far 0 98 0 - 5.4-8.1 HB2 LYS 39 - HG3 LYS 66 far 0 73 0 - 5.6-12.7 HB2 LYS 39 - HG2 LYS 66 far 0 73 0 - 7.0-13.1 HB ILE 56 - HG2 LYS 66 far 0 100 0 - 9.3-11.1 HB3 GLU 63 - HG3 LYS 33 far 0 71 0 - 9.5-11.9 HB2 LYS 39 - HG3 LYS 33 far 0 48 0 - 9.9-12.4 HB ILE 56 - HG3 LYS 66 far 0 100 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 2922 from cnoeabs.peaks (1.86, 1.49, 24.58 ppm; 3.17 A): 2 out of 14 assignments used, quality = 1.00: * HB3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.3-2.5 3.0=100 HB3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 LYS 68 - HG2 LYS 66 far 0 99 0 - 6.4-8.5 HB ILE 8 - HG2 LYS 66 far 0 69 0 - 6.9-9.5 HB3 LYS 39 - HG3 LYS 66 far 0 100 0 - 6.9-13.5 HB ILE 8 - HG3 LYS 66 far 0 70 0 - 7.0-9.4 HB3 LYS 68 - HG3 LYS 66 far 0 99 0 - 7.4-8.3 HB2 LYS 68 - HG2 LYS 66 far 0 88 0 - 7.6-9.9 HB ILE 8 - HG3 LYS 33 far 0 45 0 - 8.2-9.3 HB3 LYS 39 - HG2 LYS 66 far 0 100 0 - 8.4-13.8 HB2 LYS 68 - HG3 LYS 66 far 0 88 0 - 8.5-9.9 HG LEU 42 - HG3 LYS 66 far 0 68 0 - 8.7-12.8 HB3 LYS 66 - HG3 LYS 33 far 0 76 0 - 10.0-11.6 HG LEU 42 - HG2 LYS 66 far 0 67 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 2923 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 71 71 - 100 Reference assignment not found: HG2 LYS 66 - HG3 LYS 66 Peak 2924 from cnoeabs.peaks (1.49, 1.49, 24.58 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 66 + HG3 LYS 66 OK 100 100 - 100 HG2 LYS 66 + HG2 LYS 66 OK 100 100 - 100 HG3 LYS 33 + HG3 LYS 33 OK 72 72 - 100 Peak 2925 from cnoeabs.peaks (1.60, 1.49, 24.58 ppm; 2.40 A): 2 out of 5 assignments used, quality = 0.98: * HD2 LYS 66 + HG3 LYS 66 OK 88 100 100 88 2.2-2.9 2.9=54, 2932/3.0=15...(25) HD2 LYS 66 + HG2 LYS 66 OK 87 100 100 87 2.2-2.7 2.9=54, 2932/3.0=15...(26) HB2 ARG 30 - HG3 LYS 33 far 0 76 0 - 7.3-10.0 HG3 LYS 73 - HG3 LYS 66 far 0 100 0 - 8.3-14.2 HD3 LYS 82 - HG2 LYS 66 far 0 67 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 2926 from cnoeabs.peaks (1.70, 1.49, 24.58 ppm; 2.61 A): 4 out of 17 assignments used, quality = 1.00: * HD3 LYS 66 + HG3 LYS 66 OK 96 100 100 96 2.7-3.0 2.9=70, 2943/3.0=28...(34) HD3 LYS 66 + HG2 LYS 66 OK 96 100 100 96 2.4-2.9 2.9=70, 2943/3.0=28...(34) HD3 LYS 33 + HG3 LYS 33 OK 58 61 100 96 2.2-2.6 3.0=68, 1472/1.8=18...(47) HD2 LYS 33 + HG3 LYS 33 OK 58 61 100 96 2.7-3.0 3.0=68, 1472/1.8=18...(47) HG LEU 70 - HG3 LYS 66 far 15 100 15 - 2.8-7.1 HG LEU 70 - HG2 LYS 66 far 0 100 0 - 4.5-7.0 HB3 LEU 70 - HG3 LYS 66 far 0 97 0 - 5.5-9.9 HB3 LEU 70 - HG2 LYS 66 far 0 97 0 - 7.2-9.9 HD2 LYS 73 - HG3 LYS 66 far 0 70 0 - 7.3-12.3 HB3 LYS 40 - HG3 LYS 33 far 0 66 0 - 7.6-9.1 HD2 LYS 73 - HG2 LYS 66 far 0 69 0 - 8.9-12.0 HD3 LYS 73 - HG3 LYS 66 far 0 65 0 - 8.9-13.7 HG12 ILE 15 - HG3 LYS 33 far 0 74 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 76 0 - 9.7-13.2 HD3 LYS 33 - HG3 LYS 66 far 0 88 0 - 9.8-12.6 HD3 LYS 73 - HG2 LYS 66 far 0 65 0 - 9.9-13.7 HD3 LYS 12 - HG3 LYS 33 far 0 76 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 2927 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.75 A): 4 out of 14 assignments used, quality = 1.00: * HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-4.2 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-4.2 3.6=100 HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.3-4.2 3.6=100 HB2 ASN 60 - HG2 LYS 66 far 0 100 0 - 6.7-8.8 HB2 ASN 60 - HG3 LYS 66 far 0 100 0 - 6.8-10.1 HE3 LYS 68 - HG2 LYS 66 far 0 97 0 - 7.7-12.5 HE2 LYS 68 - HG2 LYS 66 far 0 96 0 - 7.8-13.1 HE2 LYS 39 - HG3 LYS 66 far 0 87 0 - 8.7-13.3 HE3 LYS 39 - HG3 LYS 66 far 0 94 0 - 9.1-13.5 HE3 LYS 68 - HG3 LYS 66 far 0 98 0 - 9.2-12.5 HE2 LYS 68 - HG3 LYS 66 far 0 96 0 - 9.3-12.7 HE2 LYS 39 - HG2 LYS 66 far 0 87 0 - 9.6-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 47 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 2928 from cnoeabs.peaks (2.90, 1.49, 24.58 ppm; 3.75 A): 4 out of 14 assignments used, quality = 1.00: * HE3 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=100 HE3 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.3-4.2 3.6=100 HE2 LYS 66 + HG3 LYS 66 OK 100 100 100 100 2.0-4.2 3.6=100 HE2 LYS 66 + HG2 LYS 66 OK 100 100 100 100 2.1-4.2 3.6=100 HB2 ASN 60 - HG2 LYS 66 far 0 99 0 - 6.7-8.8 HB2 ASN 60 - HG3 LYS 66 far 0 99 0 - 6.8-10.1 HE3 LYS 68 - HG2 LYS 66 far 0 100 0 - 7.7-12.5 HE2 LYS 68 - HG2 LYS 66 far 0 99 0 - 7.8-13.1 HE2 LYS 39 - HG3 LYS 66 far 0 77 0 - 8.7-13.3 HE3 LYS 39 - HG3 LYS 66 far 0 87 0 - 9.1-13.5 HE3 LYS 68 - HG3 LYS 66 far 0 100 0 - 9.2-12.5 HE2 LYS 68 - HG3 LYS 66 far 0 99 0 - 9.3-12.7 HE2 LYS 39 - HG2 LYS 66 far 0 77 0 - 9.6-14.2 HB2 ASN 10 - HG3 LYS 33 far 0 55 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 2929 from cnoeabs.peaks (8.48, 1.49, 24.58 ppm; 4.62 A): 3 out of 6 assignments used, quality = 1.00: * H ALA 67 + HG3 LYS 66 OK 100 100 100 100 4.0-4.9 2895/3.0=78, 2907/3.0=78...(18) H ALA 67 + HG2 LYS 66 OK 100 100 100 100 3.9-4.7 2895/3.0=78, 2907/3.0=78...(20) H VAL 32 + HG3 LYS 33 OK 74 76 100 98 4.6-5.6 3.0/10145=66...(9) H THR 31 - HG3 LYS 33 far 3 68 5 - 5.9-7.5 H ILE 7 - HG3 LYS 33 far 0 62 0 - 7.6-9.8 H VAL 32 - HG3 LYS 66 far 0 100 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 2930 from cnoeabs.peaks (7.80, 1.60, 27.82 ppm; 4.93 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 66 + HD2 LYS 66 OK 100 100 100 100 3.6-5.2 7073=100, 7074/1.8=97...(35) H LYS 20 + HG2 ARG 19 OK 84 84 100 100 2.1-5.0 4.9=100 HE ARG 30 - HG2 ARG 19 poor 16 82 20 - 4.6-12.6 H GLU 28 - HG2 ARG 19 far 0 86 0 - 7.4-11.2 H SER 9 - HG2 ARG 19 far 0 84 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 2931 from cnoeabs.peaks (4.08, 1.60, 27.82 ppm; 4.09 A): 2 out of 6 assignments used, quality = 1.00: * HA LYS 66 + HD2 LYS 66 OK 100 100 100 100 3.2-3.8 2942/1.8=88, 2876=53...(51) HA GLU 16 + HG2 ARG 19 OK 47 56 100 84 2.3-5.3 733/3.0=25, 734/3.0=19...(17) HA LYS 20 - HG2 ARG 19 poor 13 67 20 - 3.5-6.4 HA GLU 17 - HG2 ARG 19 far 7 68 10 - 4.6-8.2 HA LYS 24 - HG2 ARG 19 far 0 71 0 - 9.7-11.4 HA PRO 86 - HG2 ARG 19 far 0 82 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 2932 from cnoeabs.peaks (1.77, 1.60, 27.82 ppm; 3.04 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 3.2-3.8 3.6=59, 2943/1.8=54...(52) HG3 ARG 19 + HG2 ARG 19 OK 86 86 100 100 1.8-1.8 1.8=100 HB ILE 15 - HG2 ARG 19 far 0 49 0 - 5.0-7.9 HB3 GLU 63 - HD2 LYS 66 far 0 98 0 - 6.5-8.9 HB2 LYS 39 - HD2 LYS 66 far 0 73 0 - 7.9-13.0 HB2 GLU 28 - HG2 ARG 19 far 0 70 0 - 7.9-12.2 HB ILE 93 - HG2 ARG 19 far 0 49 0 - 8.7-10.3 HD2 LYS 90 - HG2 ARG 19 far 0 65 0 - 8.7-13.1 Violated in 0 structures by 0.00 A. Peak 2933 from cnoeabs.peaks (1.86, 1.60, 27.82 ppm; 3.79 A): 2 out of 12 assignments used, quality = 1.00: * HB3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 4.1-4.2 3.6=100 HB2 ARG 19 + HG2 ARG 19 OK 59 59 100 100 2.4-3.0 3.0=100 HB2 LYS 20 - HG2 ARG 19 far 6 64 10 - 4.0-7.5 HB VAL 5 - HG2 ARG 19 far 0 87 0 - 5.9-8.8 HB2 LYS 12 - HG2 ARG 19 far 0 87 0 - 7.3-10.4 HB3 LYS 90 - HG2 ARG 19 far 0 65 0 - 7.8-11.2 HB3 LYS 68 - HD2 LYS 66 far 0 99 0 - 7.9-8.9 HB3 LEU 57 - HG2 ARG 19 far 0 49 0 - 8.1-10.6 HB3 LYS 12 - HG2 ARG 19 far 0 86 0 - 8.7-11.9 HB ILE 8 - HD2 LYS 66 far 0 70 0 - 8.9-11.5 HB2 LYS 68 - HD2 LYS 66 far 0 88 0 - 8.9-10.5 HB3 LYS 39 - HD2 LYS 66 far 0 100 0 - 9.2-13.8 Violated in 0 structures by 0.00 A. Peak 2934 from cnoeabs.peaks (1.49, 1.60, 27.82 ppm; 2.96 A): 2 out of 14 assignments used, quality = 1.00: * HG2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.2-2.7 2.9=100 HG3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 20 - HG2 ARG 19 far 5 54 10 - 1.9-6.7 HG3 ARG 30 - HG2 ARG 19 far 0 45 0 - 4.8-10.0 HB ILE 7 - HG2 ARG 19 far 0 59 0 - 5.1-8.0 HB2 LEU 38 - HD2 LYS 66 far 0 65 0 - 6.5-9.9 HG LEU 38 - HD2 LYS 66 far 0 73 0 - 6.7-11.0 HB2 LEU 27 - HG2 ARG 19 far 0 54 0 - 7.5-10.5 HG LEU 64 - HD2 LYS 66 far 0 99 0 - 7.9-10.2 HG LEU 6 - HG2 ARG 19 far 0 54 0 - 8.5-13.6 HG LEU 57 - HG2 ARG 19 far 0 84 0 - 8.7-11.4 HB3 LEU 64 - HD2 LYS 66 far 0 100 0 - 8.8-10.9 HB2 LEU 14 - HG2 ARG 19 far 0 59 0 - 9.4-12.0 HG2 LYS 73 - HD2 LYS 66 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 2935 from cnoeabs.peaks (1.49, 1.60, 27.82 ppm; 2.96 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.2-2.9 2.9=100 HG2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.2-2.7 2.9=100 HG2 LYS 20 - HG2 ARG 19 far 5 50 10 - 1.9-6.7 HG3 ARG 30 - HG2 ARG 19 far 0 49 0 - 4.8-10.0 HB ILE 7 - HG2 ARG 19 far 0 62 0 - 5.1-8.0 HB2 LEU 38 - HD2 LYS 66 far 0 61 0 - 6.5-9.9 HG LEU 38 - HD2 LYS 66 far 0 70 0 - 6.7-11.0 HB2 LEU 27 - HG2 ARG 19 far 0 50 0 - 7.5-10.5 HG LEU 64 - HD2 LYS 66 far 0 98 0 - 7.9-10.2 HG LEU 6 - HG2 ARG 19 far 0 57 0 - 8.5-13.6 HG LEU 57 - HG2 ARG 19 far 0 85 0 - 8.7-11.4 HB3 LEU 64 - HD2 LYS 66 far 0 100 0 - 8.8-10.9 HB2 LEU 14 - HG2 ARG 19 far 0 62 0 - 9.4-12.0 HG2 LYS 73 - HD2 LYS 66 far 0 100 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 2936 from cnoeabs.peaks (1.60, 1.60, 27.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 66 + HD2 LYS 66 OK 100 100 - 100 HG2 ARG 19 + HG2 ARG 19 OK 79 79 - 100 Peak 2937 from cnoeabs.peaks (1.70, 1.60, 27.82 ppm; 2.53 A): 1 out of 15 assignments used, quality = 1.00: * HD3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 20 - HG2 ARG 19 far 7 65 10 - 3.3-8.3 HD3 LYS 20 - HG2 ARG 19 far 3 65 5 - 3.9-9.2 HD2 LYS 20 - HG2 ARG 19 far 0 70 0 - 4.1-8.9 HB ILE 15 - HG2 ARG 19 far 0 64 0 - 5.0-7.9 HG LEU 70 - HD2 LYS 66 far 0 100 0 - 5.0-8.0 HG12 ILE 15 - HG2 ARG 19 far 0 85 0 - 6.4-8.7 HD2 LYS 12 - HG2 ARG 19 far 0 87 0 - 7.6-10.5 HB3 LEU 70 - HD2 LYS 66 far 0 97 0 - 7.7-10.7 HD2 LYS 73 - HD2 LYS 66 far 0 70 0 - 8.2-12.0 HD3 LYS 90 - HG2 ARG 19 far 0 86 0 - 8.4-13.6 HD2 LYS 90 - HG2 ARG 19 far 0 47 0 - 8.7-13.1 HD3 LYS 12 - HG2 ARG 19 far 0 87 0 - 8.9-11.9 HD3 LYS 73 - HD2 LYS 66 far 0 65 0 - 9.1-13.7 HD3 LYS 13 - HG2 ARG 19 far 0 87 0 - 10.0-14.5 Violated in 0 structures by 0.00 A. Peak 2938 from cnoeabs.peaks (2.90, 1.60, 27.82 ppm; 3.58 A): 2 out of 9 assignments used, quality = 1.00: * HE2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.4-3.0 2.9=100 HE3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.5-3.0 2.9=100 HE3 LYS 20 - HG2 ARG 19 far 12 77 15 - 3.9-9.2 HE2 LYS 20 - HG2 ARG 19 far 0 78 0 - 5.5-9.9 HB2 ASN 60 - HD2 LYS 66 far 0 100 0 - 7.6-9.9 HE2 LYS 39 - HD2 LYS 66 far 0 87 0 - 8.9-14.1 HE3 LYS 39 - HD2 LYS 66 far 0 94 0 - 9.1-13.6 HE3 LYS 68 - HD2 LYS 66 far 0 98 0 - 9.5-12.9 HE2 LYS 68 - HD2 LYS 66 far 0 96 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2939 from cnoeabs.peaks (2.90, 1.60, 27.82 ppm; 3.69 A): 2 out of 11 assignments used, quality = 1.00: * HE3 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.5-3.0 2.9=100 HE2 LYS 66 + HD2 LYS 66 OK 100 100 100 100 2.4-3.0 2.9=100 HE3 LYS 20 - HG2 ARG 19 poor 10 82 30 39 3.9-9.2 6313/4.9=13, 6.3/8503=5...(14) HE2 LYS 20 - HG2 ARG 19 far 0 83 0 - 5.5-9.9 HB2 ASN 60 - HD2 LYS 66 far 0 99 0 - 7.6-9.9 HG2 MET 21 - HG2 ARG 19 far 0 45 0 - 7.6-10.1 HE3 LYS 90 - HG2 ARG 19 far 0 52 0 - 8.4-14.0 HE2 LYS 39 - HD2 LYS 66 far 0 77 0 - 8.9-14.1 HE3 LYS 39 - HD2 LYS 66 far 0 87 0 - 9.1-13.6 HE3 LYS 68 - HD2 LYS 66 far 0 100 0 - 9.5-12.9 HE2 LYS 68 - HD2 LYS 66 far 0 99 0 - 9.5-13.5 Violated in 0 structures by 0.00 A. Peak 2940 from cnoeabs.peaks (8.48, 1.60, 27.82 ppm; 6.22 A): 4 out of 5 assignments used, quality = 1.00: * H ALA 67 + HD2 LYS 66 OK 100 100 100 100 5.9-6.2 7090=100, 2895/3.6=96...(21) H LEU 29 + HG2 ARG 19 OK 60 62 100 97 3.8-7.7 4.0/1274=41, 4.8/1298=38...(11) H THR 31 + HG2 ARG 19 OK 43 79 85 65 5.6-9.6 12050/1298=34...(6) H ILE 7 + HG2 ARG 19 OK 23 72 65 50 6.6-10.2 8238/6478=14...(6) H VAL 32 - HG2 ARG 19 far 0 87 0 - 8.6-11.5 Violated in 0 structures by 0.00 A. Peak 2941 from cnoeabs.peaks (7.80, 1.70, 27.82 ppm; 5.25 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.8-4.5 7074=100, 3.0/2942=94...(31) H LYS 73 - HD3 LYS 66 far 0 59 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 2942 from cnoeabs.peaks (4.08, 1.70, 27.82 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 66 + HD3 LYS 66 OK 100 100 100 100 1.9-2.3 3.0/2943=54, 3.0/7074=49...(49) Violated in 0 structures by 0.00 A. Peak 2943 from cnoeabs.peaks (1.77, 1.70, 27.82 ppm; 3.54 A): 1 out of 3 assignments used, quality = 1.00: * HB2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.4-3.1 3.6=94, 1.8/2904=55...(49) HB3 GLU 63 - HD3 LYS 66 far 0 98 0 - 7.1-8.8 HB2 LYS 39 - HD3 LYS 66 far 0 73 0 - 7.1-11.7 Violated in 0 structures by 0.00 A. Peak 2944 from cnoeabs.peaks (1.86, 1.70, 27.82 ppm; 3.92 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 3.5-3.7 3.6=100 HB3 LYS 68 - HD3 LYS 66 far 0 99 0 - 6.6-7.6 HB2 LYS 68 - HD3 LYS 66 far 0 88 0 - 7.5-9.2 HB3 LYS 39 - HD3 LYS 66 far 0 100 0 - 8.3-12.4 HB ILE 8 - HD3 LYS 66 far 0 70 0 - 9.3-11.0 HG LEU 42 - HD3 LYS 66 far 0 68 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 2945 from cnoeabs.peaks (1.49, 1.70, 27.82 ppm; 2.95 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.4-2.9 2.9=100 HG3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.7-3.0 2.9=100 HB2 LEU 38 - HD3 LYS 66 far 0 65 0 - 5.6-8.9 HG LEU 38 - HD3 LYS 66 far 0 73 0 - 5.7-9.9 HG LEU 64 - HD3 LYS 66 far 0 99 0 - 7.2-9.2 HG2 LYS 73 - HD3 LYS 66 far 0 100 0 - 8.1-10.9 HB3 LEU 64 - HD3 LYS 66 far 0 100 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 2946 from cnoeabs.peaks (1.49, 1.70, 27.82 ppm; 2.95 A): 2 out of 7 assignments used, quality = 1.00: * HG3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.7-3.0 2.9=100 HG2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.4-2.9 2.9=100 HB2 LEU 38 - HD3 LYS 66 far 0 61 0 - 5.6-8.9 HG LEU 38 - HD3 LYS 66 far 0 70 0 - 5.7-9.9 HG LEU 64 - HD3 LYS 66 far 0 98 0 - 7.2-9.2 HG2 LYS 73 - HD3 LYS 66 far 0 100 0 - 8.1-10.9 HB3 LEU 64 - HD3 LYS 66 far 0 100 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 2947 from cnoeabs.peaks (1.60, 1.70, 27.82 ppm; 2.49 A): 1 out of 2 assignments used, quality = 1.00: * HD2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 73 - HD3 LYS 66 far 0 100 0 - 8.2-12.3 Violated in 0 structures by 0.00 A. Peak 2948 from cnoeabs.peaks (1.70, 1.70, 27.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 66 + HD3 LYS 66 OK 100 100 - 100 Peak 2949 from cnoeabs.peaks (2.90, 1.70, 27.82 ppm; 3.56 A): 2 out of 7 assignments used, quality = 1.00: * HE2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.2-3.0 2.9=100 HE3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 39 - HD3 LYS 66 far 0 87 0 - 7.9-13.2 HE3 LYS 68 - HD3 LYS 66 far 0 98 0 - 8.0-11.5 HE2 LYS 68 - HD3 LYS 66 far 0 96 0 - 8.2-11.8 HE3 LYS 39 - HD3 LYS 66 far 0 94 0 - 8.3-12.6 HB2 ASN 60 - HD3 LYS 66 far 0 100 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 2950 from cnoeabs.peaks (2.90, 1.70, 27.82 ppm; 3.54 A): 2 out of 7 assignments used, quality = 1.00: * HE3 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 66 + HD3 LYS 66 OK 100 100 100 100 2.2-3.0 2.9=100 HE2 LYS 39 - HD3 LYS 66 far 0 77 0 - 7.9-13.2 HE3 LYS 68 - HD3 LYS 66 far 0 100 0 - 8.0-11.5 HE2 LYS 68 - HD3 LYS 66 far 0 99 0 - 8.2-11.8 HE3 LYS 39 - HD3 LYS 66 far 0 87 0 - 8.3-12.6 HB2 ASN 60 - HD3 LYS 66 far 0 99 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 2951 from cnoeabs.peaks (8.48, 1.70, 27.82 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 67 + HD3 LYS 66 OK 100 100 100 100 4.8-5.3 7077/7074=94...(19) Violated in 0 structures by 0.00 A. Peak 2952 from cnoeabs.peaks (7.80, 2.90, 41.80 ppm; 4.54 A): 4 out of 21 assignments used, quality = 1.00: H LYS 66 + HE3 LYS 66 OK 99 99 100 100 3.0-5.9 7074/2.9=76, 7070/4.7=60...(33) * H LYS 66 + HE2 LYS 66 OK 95 100 95 100 3.8-6.1 7074/2.9=76, 7070/4.7=60...(32) H LYS 20 + HE2 LYS 20 OK 86 86 100 100 1.9-5.2 893/3.6=65, 882/3.6=62...(28) H LYS 20 + HE3 LYS 20 OK 84 84 100 100 1.8-4.9 893/3.6=65, 882/3.6=62...(31) H LYS 66 - HE3 LYS 68 far 5 95 5 - 5.5-8.8 H LYS 66 - HE2 LYS 68 far 5 92 5 - 5.6-9.3 H LYS 73 - HE2 LYS 39 far 2 36 5 - 5.7-10.9 H TYR 41 - HE3 LYS 39 far 0 74 0 - 6.1-9.3 H LYS 73 - HE3 LYS 39 far 0 45 0 - 6.2-10.8 H TYR 41 - HE2 LYS 39 far 0 61 0 - 6.2-9.3 H ASN 26 - HE2 LYS 94 far 0 36 0 - 6.4-12.8 H ASN 26 - HE3 LYS 94 far 0 50 0 - 8.0-13.6 H LYS 73 - HE3 LYS 66 far 0 58 0 - 8.2-11.6 H LYS 73 - HE2 LYS 66 far 0 59 0 - 8.2-13.1 H LYS 73 - HE3 LYS 68 far 0 52 0 - 8.2-11.4 H LYS 73 - HE2 LYS 68 far 0 49 0 - 8.5-11.4 H GLU 99 - HE2 LYS 94 far 0 69 0 - 9.2-11.4 H GLU 99 - HE3 LYS 94 far 0 89 0 - 9.2-11.9 HE ARG 30 - HE3 LYS 20 far 0 82 0 - 9.5-17.8 H LYS 20 - HE2 LYS 94 far 0 68 0 - 9.7-12.7 H LYS 20 - HE3 LYS 94 far 0 87 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 2953 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 3.94 A): 8 out of 23 assignments used, quality = 1.00: * HA LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.6-4.3 2942/2.9=67, 2931/2.9=39...(54) HA LYS 66 + HE3 LYS 66 OK 99 99 100 100 1.9-4.1 2942/2.9=67, 2931/2.9=39...(54) HA LYS 20 + HE2 LYS 20 OK 65 69 95 100 3.0-5.6 848/3.6=34, 6.3=24...(97) HA LYS 20 + HE3 LYS 20 OK 63 67 95 100 3.2-5.6 848/3.6=34, 6.3=24...(97) HA GLU 17 + HE2 LYS 20 OK 54 70 100 77 2.9-5.1 894/3.6=17, 2879=15...(21) HA GLU 17 + HE3 LYS 20 OK 53 68 100 77 2.0-4.9 894/3.6=17, 2879=15...(23) HA GLU 16 + HE2 LYS 20 OK 21 57 55 66 4.0-7.9 848/3.6=13, 850/3.0=10...(18) HA GLU 16 + HE3 LYS 20 OK 20 56 55 66 2.8-7.5 848/3.6=13, 850/3.0=10...(17) HA LYS 24 - HE2 LYS 94 far 0 56 0 - 6.1-12.9 HA LYS 66 - HE3 LYS 68 far 0 95 0 - 6.4-9.7 HA LYS 66 - HE2 LYS 68 far 0 92 0 - 6.6-10.3 HA LYS 24 - HE3 LYS 20 far 0 71 0 - 7.4-10.7 HA LYS 24 - HE2 LYS 20 far 0 73 0 - 7.4-9.6 HA LYS 24 - HE3 LYS 94 far 0 75 0 - 7.7-13.7 HA PRO 86 - HE3 LYS 20 far 0 83 0 - 8.0-12.0 HA LYS 66 - HE2 LYS 39 far 0 73 0 - 8.6-12.7 HA GLU 17 - HE3 LYS 94 far 0 72 0 - 8.9-12.7 HA LYS 20 - HE2 LYS 94 far 0 53 0 - 9.0-13.0 HA PRO 86 - HE2 LYS 20 far 0 84 0 - 9.2-12.2 HA GLU 17 - HE2 LYS 94 far 0 54 0 - 9.2-12.2 HA LYS 66 - HE3 LYS 39 far 0 87 0 - 9.4-12.5 HA LYS 20 - HE3 LYS 94 far 0 70 0 - 9.6-13.3 HA PRO 86 - HE2 LYS 94 far 0 67 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2954 from cnoeabs.peaks (1.77, 2.90, 41.80 ppm; 4.07 A): 4 out of 34 assignments used, quality = 1.00: * HB2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.1-4.6 2943/2.9=70, 4.7=64...(47) HB2 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.0-4.4 2943/2.9=70, 4.7=64...(47) HB2 LYS 39 + HE3 LYS 39 OK 57 57 100 100 1.9-4.6 4.9=56, 1686/3.0=24...(62) HB2 LYS 39 + HE2 LYS 39 OK 46 46 100 100 3.4-4.6 4.9=56, 1686/3.0=24...(64) HG3 ARG 19 - HE3 LYS 20 poor 11 86 45 29 4.8-9.2 6303/6313=18, 782/2995=5 HD2 LYS 90 - HE2 LYS 94 poor 10 51 20 - 4.5-10.9 HD2 LYS 90 - HE3 LYS 94 far 7 69 10 - 5.4-10.9 HG3 ARG 19 - HE2 LYS 20 far 4 88 5 - 5.2-10.0 HD2 LYS 90 - HE3 LYS 20 far 0 65 0 - 5.6-11.0 HB2 LYS 39 - HE3 LYS 66 far 0 71 0 - 5.6-11.5 HB ILE 93 - HE2 LYS 94 far 0 38 0 - 5.9-7.2 HB ILE 93 - HE3 LYS 94 far 0 52 0 - 5.9-7.4 HB2 LYS 39 - HE2 LYS 66 far 0 73 0 - 6.3-12.6 HD2 LYS 90 - HE2 LYS 20 far 0 67 0 - 6.6-11.4 HB3 GLU 63 - HE2 LYS 66 far 0 98 0 - 7.2-10.4 HB ILE 15 - HE3 LYS 20 far 0 49 0 - 7.2-11.5 HB ILE 56 - HE2 LYS 68 far 0 92 0 - 7.2-10.2 HB ILE 56 - HE3 LYS 68 far 0 94 0 - 7.3-9.7 HB3 GLU 63 - HE3 LYS 66 far 0 97 0 - 7.8-9.8 HB VAL 78 - HE3 LYS 68 far 0 89 0 - 7.9-11.2 HB2 LYS 66 - HE2 LYS 39 far 0 73 0 - 8.0-13.1 HB3 LYS 82 - HE2 LYS 68 far 0 92 0 - 8.2-12.1 HB ILE 15 - HE2 LYS 20 far 0 50 0 - 8.3-11.7 HB2 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.4-11.2 HB2 LYS 66 - HE2 LYS 68 far 0 92 0 - 8.5-11.9 HB2 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.9-12.8 HB VAL 78 - HE2 LYS 68 far 0 86 0 - 8.9-11.1 HB3 LYS 82 - HE3 LYS 68 far 0 94 0 - 8.9-11.9 HG3 ARG 46 - HE2 LYS 39 far 0 61 0 - 9.0-13.6 HG3 ARG 46 - HE3 LYS 39 far 0 74 0 - 9.1-13.4 HB3 GLU 63 - HE2 LYS 68 far 0 88 0 - 9.2-13.1 HB3 GLU 63 - HE3 LYS 68 far 0 91 0 - 9.3-12.4 HB ILE 93 - HE2 LYS 20 far 0 50 0 - 9.6-11.6 HB ILE 93 - HE3 LYS 20 far 0 49 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 2955 from cnoeabs.peaks (1.86, 2.90, 41.80 ppm; 3.48 A): 10 out of 44 assignments used, quality = 1.00: HB3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 3.4-4.6 2904/2.9=40, 4.7=40...(43) HB3 LYS 68 + HE3 LYS 68 OK 90 92 100 98 2.8-4.4 5.0=34, 3018/1.8=13...(68) HB3 LYS 68 + HE2 LYS 68 OK 83 89 95 98 2.9-5.0 5.0=34, 3018/1.8=13...(67) HB3 LYS 39 + HE3 LYS 39 OK 81 87 95 99 3.1-5.0 4.9=35, 1.8/1689=22...(41) HB2 LYS 68 + HE3 LYS 68 OK 78 79 100 99 2.6-4.3 5.0=34, 1.8/3019=13...(71) HB2 LYS 68 + HE2 LYS 68 OK 75 76 100 99 3.1-4.5 5.0=34, 1.8/3019=13...(71) HB3 LYS 39 + HE2 LYS 39 OK 72 73 100 99 3.2-4.7 4.9=35, 1.8/1689=21...(41) * HB3 LYS 66 + HE2 LYS 66 OK 70 100 70 100 3.3-5.1 2904/2.9=40, 4.7=40...(43) HB2 LYS 20 + HE2 LYS 20 OK 64 65 100 98 1.9-3.5 4.7=40, 4.0/6313=13...(89) HB2 LYS 20 + HE3 LYS 20 OK 62 64 100 98 1.9-3.6 4.7=40, 4.0/6313=13...(89) HB2 ARG 19 - HE3 LYS 20 poor 10 59 50 34 2.6-8.0 4.1/6313=13, 788/6.3=4...(9) HB2 ARG 19 - HE2 LYS 20 poor 10 61 50 33 3.6-7.8 4.1/6313=13, 788/6.3=4...(8) HB3 LYS 90 - HE2 LYS 94 far 5 51 10 - 4.7-8.2 HB3 LYS 90 - HE3 LYS 94 far 3 69 5 - 4.9-8.0 HB3 GLU 104 - HE3 LYS 68 far 0 92 0 - 5.3-18.3 HB3 GLU 104 - HE2 LYS 68 far 0 90 0 - 5.9-17.0 HB3 LYS 90 - HE2 LYS 20 far 0 67 0 - 6.1-10.1 HB3 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.2-9.1 HB3 LYS 39 - HE3 LYS 66 far 0 99 0 - 6.5-12.1 HB3 LYS 90 - HE3 LYS 20 far 0 65 0 - 6.8-9.1 HG LEU 42 - HE2 LYS 39 far 0 42 0 - 7.0-10.1 HG LEU 42 - HE3 LYS 39 far 0 52 0 - 7.0-9.9 HB3 GLU 104 - HE3 LYS 94 far 0 88 0 - 7.0-21.0 HB2 LYS 68 - HE3 LYS 66 far 0 86 0 - 7.2-10.6 HB3 LYS 68 - HE2 LYS 66 far 0 99 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 95 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 100 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.7-11.0 HB2 LYS 12 - HE3 LYS 20 far 0 87 0 - 8.1-12.2 HG2 ARG 46 - HE2 LYS 39 far 0 41 0 - 8.1-12.7 HG2 ARG 46 - HE3 LYS 39 far 0 50 0 - 8.1-12.3 HB2 LYS 68 - HE2 LYS 66 far 0 88 0 - 8.3-10.7 HB3 GLU 104 - HE2 LYS 94 far 0 68 0 - 8.7-20.8 HB ILE 8 - HE2 LYS 66 far 0 70 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 68 0 - 8.8-11.5 HB3 LYS 12 - HE3 LYS 20 far 0 86 0 - 9.1-13.0 HB3 LYS 66 - HE2 LYS 39 far 0 73 0 - 9.2-13.2 HG LEU 42 - HE3 LYS 66 far 0 66 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 68 0 - 9.4-14.1 HB2 LYS 12 - HE2 LYS 20 far 0 88 0 - 9.7-13.0 HB2 LYS 20 - HE3 LYS 94 far 0 67 0 - 9.7-13.6 HB VAL 54 - HE3 LYS 68 far 0 78 0 - 9.7-13.5 HB VAL 5 - HE3 LYS 20 far 0 87 0 - 9.7-12.9 HB2 LYS 20 - HE2 LYS 94 far 0 50 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2956 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.41 A): 7 out of 68 assignments used, quality = 1.00: * HG2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.1-4.2 3.6=84, 2925/2.9=36...(52) HG3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.0-4.2 3.6=84, 2925/2.9=36...(53) HG2 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.3-4.2 3.6=84, 2925/2.9=36...(52) HG3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(53) HG2 LYS 20 + HE2 LYS 20 OK 55 55 100 99 2.5-4.1 3.6=88, 4.9/6313=10...(95) HG2 LYS 20 + HE3 LYS 20 OK 54 54 100 99 2.5-3.8 3.6=88, 4.9/6313=10...(94) HG LEU 64 + HE3 LYS 68 OK 30 91 40 83 3.2-6.5 2.1/9484=20, ~10242=17...(19) HG LEU 64 - HE2 LYS 68 poor 18 88 25 83 3.4-6.7 2.1/9484=20, ~10242=17...(19) HG3 ARG 91 - HE2 LYS 94 poor 17 35 50 - 4.0-9.7 HB2 ARG 91 - HE3 LYS 94 poor 11 90 35 35 4.3-9.5 ~4242=4, 3.0/12237=4...(13) HB2 ARG 91 - HE2 LYS 94 poor 10 70 45 33 2.8-10.0 ~4242=4, 3.0/12237=4...(11) HG3 ARG 91 - HE3 LYS 94 poor 10 48 20 - 4.6-9.3 HG3 LYS 24 - HE2 LYS 94 far 6 63 10 - 3.6-11.3 HG2 LYS 73 - HE2 LYS 39 far 4 73 5 - 4.5-11.1 HD3 LYS 40 - HE3 LYS 39 far 3 67 5 - 4.7-10.0 HD3 LYS 40 - HE2 LYS 39 far 3 55 5 - 4.3-10.5 HB2 LEU 38 - HE3 LYS 39 far 3 50 5 - 4.5-9.8 HG LEU 38 - HE3 LYS 66 far 0 71 0 - 5.1-11.4 HG3 LYS 24 - HE3 LYS 94 far 0 82 0 - 5.1-11.2 HD2 LYS 40 - HE2 LYS 39 far 0 53 0 - 5.1-11.3 HD2 LYS 40 - HE3 LYS 39 far 0 65 0 - 5.2-10.5 HB2 LEU 38 - HE3 LYS 66 far 0 64 0 - 5.3-9.6 HB3 LEU 103 - HE3 LYS 68 far 0 65 0 - 5.3-18.6 HG LEU 38 - HE2 LYS 66 far 0 73 0 - 5.4-12.2 HB2 LEU 38 - HE2 LYS 39 far 0 41 0 - 5.5-9.5 HB3 LEU 103 - HE2 LYS 68 far 0 62 0 - 5.6-17.7 HB2 LEU 38 - HE2 LYS 66 far 0 65 0 - 5.6-10.4 HB3 LEU 64 - HE3 LYS 68 far 0 94 0 - 6.0-8.8 HG2 LYS 73 - HE3 LYS 39 far 0 87 0 - 6.1-10.6 HB3 LEU 64 - HE2 LYS 68 far 0 92 0 - 6.4-9.2 HG2 LYS 73 - HE3 LYS 66 far 0 99 0 - 6.8-11.5 HG LEU 38 - HE3 LYS 39 far 0 57 0 - 6.8-10.4 HG2 LYS 73 - HE2 LYS 66 far 0 100 0 - 6.9-12.3 HG LEU 64 - HE3 LYS 66 far 0 97 0 - 7.2-11.0 HG3 LYS 24 - HE3 LYS 20 far 0 78 0 - 7.4-10.9 HG3 LYS 24 - HE2 LYS 20 far 0 80 0 - 7.4-10.7 HG LEU 38 - HE2 LYS 39 far 0 46 0 - 7.5-10.6 HD2 LYS 82 - HE2 LYS 68 far 0 62 0 - 7.5-12.8 HG12 ILE 56 - HE3 LYS 68 far 0 50 0 - 7.6-10.5 HG12 ILE 56 - HE2 LYS 68 far 0 48 0 - 7.6-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 95 0 - 7.7-12.5 HD2 LYS 82 - HE3 LYS 68 far 0 65 0 - 7.8-12.7 HG2 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.8-13.1 HG LEU 64 - HE2 LYS 66 far 0 99 0 - 8.1-10.8 HG2 LYS 20 - HE3 LYS 94 far 0 57 0 - 8.2-13.6 HB2 LEU 27 - HE2 LYS 94 far 0 42 0 - 8.5-12.8 HB3 LEU 103 - HE2 LYS 94 far 0 45 0 - 8.6-21.1 HG3 LYS 66 - HE2 LYS 39 far 0 73 0 - 8.7-13.3 HB3 LEU 64 - HE3 LYS 66 far 0 99 0 - 8.7-11.5 HG2 LYS 20 - HE2 LYS 94 far 0 42 0 - 8.9-13.4 HG3 LYS 13 - HE3 LYS 20 far 0 86 0 - 8.9-13.6 HB2 LEU 14 - HE3 LYS 20 far 0 59 0 - 9.0-12.4 HG3 LYS 66 - HE3 LYS 39 far 0 87 0 - 9.1-13.5 HG2 LYS 73 - HE3 LYS 68 far 0 94 0 - 9.2-12.7 HG3 LYS 66 - HE3 LYS 68 far 0 94 0 - 9.2-12.5 HB ILE 7 - HE3 LYS 20 far 0 59 0 - 9.2-12.9 HG3 LYS 66 - HE2 LYS 68 far 0 92 0 - 9.3-12.7 HG2 LYS 73 - HE2 LYS 68 far 0 92 0 - 9.3-12.9 HB3 LEU 64 - HE2 LYS 66 far 0 100 0 - 9.5-11.8 HG2 LYS 66 - HE2 LYS 39 far 0 73 0 - 9.6-14.2 HG LEU 57 - HE2 LYS 94 far 0 68 0 - 9.7-12.4 HG3 ARG 30 - HE3 LYS 20 far 0 45 0 - 9.9-14.7 HD2 LYS 82 - HE3 LYS 66 far 0 71 0 - 9.9-15.5 HB ILE 7 - HE2 LYS 20 far 0 61 0 - 9.9-13.1 HB2 LEU 27 - HE3 LYS 20 far 0 54 0 - 9.9-12.7 HB3 LEU 103 - HE3 LYS 94 far 0 60 0 - 9.9-21.6 HG12 ILE 56 - HE3 LYS 66 far 0 56 0 - 9.9-12.9 HB2 LEU 27 - HE3 LYS 94 far 0 57 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2957 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.41 A): 7 out of 66 assignments used, quality = 1.00: * HG3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.0-4.2 3.6=84, 2925/2.9=36...(53) HG2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.1-4.2 3.6=84, 2925/2.9=36...(52) HG3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(53) HG2 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.3-4.2 3.6=84, 2925/2.9=36...(52) HG2 LYS 20 + HE2 LYS 20 OK 52 52 100 99 2.5-4.1 3.6=88, 4.9/6313=10...(95) HG2 LYS 20 + HE3 LYS 20 OK 50 50 100 99 2.5-3.8 3.6=88, 4.9/6313=10...(94) HG LEU 64 + HE3 LYS 68 OK 30 90 40 83 3.2-6.5 2.1/9484=20, ~10242=17...(19) HG LEU 64 - HE2 LYS 68 poor 18 87 25 83 3.4-6.7 2.1/9484=20, ~10242=17...(19) HB2 ARG 91 - HE3 LYS 94 poor 11 89 35 34 4.3-9.5 ~4242=4, 3.0/12237=4...(12) HB2 ARG 91 - HE2 LYS 94 poor 10 69 45 32 2.8-10.0 ~4242=4, 3.0/12237=4...(10) HG3 LYS 24 - HE2 LYS 94 far 6 64 10 - 3.6-11.3 HG2 LYS 73 - HE2 LYS 39 far 4 73 5 - 4.5-11.1 HD3 LYS 40 - HE3 LYS 39 far 3 64 5 - 4.7-10.0 HD3 LYS 40 - HE2 LYS 39 far 3 52 5 - 4.3-10.5 HB2 LEU 38 - HE3 LYS 39 far 2 47 5 - 4.5-9.8 HG LEU 38 - HE3 LYS 66 far 0 68 0 - 5.1-11.4 HG3 LYS 24 - HE3 LYS 94 far 0 84 0 - 5.1-11.2 HD2 LYS 40 - HE2 LYS 39 far 0 51 0 - 5.1-11.3 HD2 LYS 40 - HE3 LYS 39 far 0 62 0 - 5.2-10.5 HB2 LEU 38 - HE3 LYS 66 far 0 60 0 - 5.3-9.6 HB3 LEU 103 - HE3 LYS 68 far 0 68 0 - 5.3-18.6 HG LEU 38 - HE2 LYS 66 far 0 70 0 - 5.4-12.2 HB2 LEU 38 - HE2 LYS 39 far 0 38 0 - 5.5-9.5 HB3 LEU 103 - HE2 LYS 68 far 0 65 0 - 5.6-17.7 HB2 LEU 38 - HE2 LYS 66 far 0 61 0 - 5.6-10.4 HB3 LEU 64 - HE3 LYS 68 far 0 94 0 - 6.0-8.8 HG2 LYS 73 - HE3 LYS 39 far 0 87 0 - 6.1-10.6 HB3 LEU 64 - HE2 LYS 68 far 0 92 0 - 6.4-9.2 HG2 LYS 73 - HE3 LYS 66 far 0 99 0 - 6.8-11.5 HG LEU 38 - HE3 LYS 39 far 0 54 0 - 6.8-10.4 HG2 LYS 73 - HE2 LYS 66 far 0 100 0 - 6.9-12.3 HG LEU 64 - HE3 LYS 66 far 0 96 0 - 7.2-11.0 HG3 LYS 24 - HE3 LYS 20 far 0 80 0 - 7.4-10.9 HG3 LYS 24 - HE2 LYS 20 far 0 82 0 - 7.4-10.7 HG LEU 38 - HE2 LYS 39 far 0 44 0 - 7.5-10.6 HD2 LYS 82 - HE2 LYS 68 far 0 58 0 - 7.5-12.8 HG12 ILE 56 - HE3 LYS 68 far 0 54 0 - 7.6-10.5 HG12 ILE 56 - HE2 LYS 68 far 0 51 0 - 7.6-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 94 0 - 7.7-12.5 HD2 LYS 82 - HE3 LYS 68 far 0 61 0 - 7.8-12.7 HG2 LYS 66 - HE2 LYS 68 far 0 92 0 - 7.8-13.1 HG LEU 64 - HE2 LYS 66 far 0 98 0 - 8.1-10.8 HG2 LYS 20 - HE3 LYS 94 far 0 53 0 - 8.2-13.6 HB2 LEU 27 - HE2 LYS 94 far 0 39 0 - 8.5-12.8 HB3 LEU 103 - HE2 LYS 94 far 0 47 0 - 8.6-21.1 HG3 LYS 66 - HE2 LYS 39 far 0 73 0 - 8.7-13.3 HB3 LEU 64 - HE3 LYS 66 far 0 99 0 - 8.7-11.5 HG2 LYS 20 - HE2 LYS 94 far 0 39 0 - 8.9-13.4 HG3 LYS 13 - HE3 LYS 20 far 0 86 0 - 8.9-13.6 HB2 LEU 14 - HE3 LYS 20 far 0 62 0 - 9.0-12.4 HG3 LYS 66 - HE3 LYS 39 far 0 87 0 - 9.1-13.5 HG2 LYS 73 - HE3 LYS 68 far 0 94 0 - 9.2-12.7 HG3 LYS 66 - HE3 LYS 68 far 0 95 0 - 9.2-12.5 HB ILE 7 - HE3 LYS 20 far 0 62 0 - 9.2-12.9 HG3 LYS 66 - HE2 LYS 68 far 0 92 0 - 9.3-12.7 HG2 LYS 73 - HE2 LYS 68 far 0 92 0 - 9.3-12.9 HB3 LEU 64 - HE2 LYS 66 far 0 100 0 - 9.5-11.8 HG2 LYS 66 - HE2 LYS 39 far 0 73 0 - 9.6-14.2 HG LEU 57 - HE2 LYS 94 far 0 69 0 - 9.7-12.4 HG3 ARG 30 - HE3 LYS 20 far 0 49 0 - 9.9-14.7 HD2 LYS 82 - HE3 LYS 66 far 0 68 0 - 9.9-15.5 HB ILE 7 - HE2 LYS 20 far 0 64 0 - 9.9-13.1 HB2 LEU 27 - HE3 LYS 20 far 0 50 0 - 9.9-12.7 HB3 LEU 103 - HE3 LYS 94 far 0 64 0 - 9.9-21.6 HG12 ILE 56 - HE3 LYS 66 far 0 60 0 - 9.9-12.9 HB2 LEU 27 - HE3 LYS 94 far 0 53 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2958 from cnoeabs.peaks (1.60, 2.90, 41.80 ppm; 3.07 A): 6 out of 44 assignments used, quality = 1.00: * HD2 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.4-3.0 2.9=100 HD2 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.5-3.0 2.9=100 HD3 LYS 94 + HE3 LYS 94 OK 90 90 100 100 2.4-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 75 75 100 100 2.2-3.0 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 71 71 100 100 2.2-3.0 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 56 56 100 100 2.2-3.0 3.0=100 HG2 LYS 24 - HE2 LYS 94 far 10 64 15 - 3.1-11.5 HG2 LYS 24 - HE3 LYS 94 far 4 84 5 - 4.4-11.1 HG3 LYS 90 - HE3 LYS 94 far 4 82 5 - 4.2-9.3 HG2 ARG 19 - HE3 LYS 20 far 4 79 5 - 3.9-9.2 HG LEU 103 - HE2 LYS 68 far 0 81 0 - 4.7-19.2 HB2 ARG 79 - HE3 LYS 68 far 0 94 0 - 4.8-11.3 HG LEU 103 - HE3 LYS 68 far 0 84 0 - 4.9-21.0 HG3 LYS 90 - HE2 LYS 20 far 0 80 0 - 5.1-10.0 HG3 LYS 90 - HE2 LYS 94 far 0 63 0 - 5.3-8.9 HG3 LYS 73 - HE3 LYS 39 far 0 87 0 - 5.3-11.4 HG2 ARG 19 - HE2 LYS 20 far 0 81 0 - 5.5-9.9 HG3 LYS 73 - HE2 LYS 39 far 0 73 0 - 5.6-10.8 HB2 ARG 79 - HE2 LYS 68 far 0 92 0 - 6.0-11.8 HB2 LEU 103 - HE3 LYS 68 far 0 87 0 - 6.5-19.0 HB3 LEU 29 - HE3 LYS 20 far 0 86 0 - 6.6-10.9 HG2 LYS 24 - HE3 LYS 20 far 0 80 0 - 6.6-11.6 HG2 LYS 24 - HE2 LYS 20 far 0 82 0 - 6.6-10.5 HG3 LYS 90 - HE3 LYS 20 far 0 78 0 - 6.7-10.5 HB2 LEU 103 - HE2 LYS 68 far 0 84 0 - 6.7-17.6 HG3 LYS 73 - HE3 LYS 66 far 0 99 0 - 7.0-12.3 HG LEU 27 - HE2 LYS 94 far 0 71 0 - 7.1-12.1 HG3 LYS 73 - HE2 LYS 66 far 0 100 0 - 7.3-13.9 HB3 LEU 29 - HE2 LYS 20 far 0 88 0 - 7.9-11.5 HG LEU 27 - HE3 LYS 94 far 0 90 0 - 8.4-12.5 HD2 LYS 66 - HE2 LYS 39 far 0 73 0 - 8.9-14.1 HD2 LYS 66 - HE3 LYS 39 far 0 87 0 - 9.1-13.6 HD3 LYS 82 - HE2 LYS 68 far 0 57 0 - 9.2-13.1 HG3 LYS 12 - HE3 LYS 20 far 0 85 0 - 9.2-14.9 HG3 LYS 73 - HE2 LYS 68 far 0 92 0 - 9.2-13.2 HD3 LYS 82 - HE3 LYS 68 far 0 59 0 - 9.3-13.0 HD3 LYS 94 - HE2 LYS 20 far 0 88 0 - 9.4-13.1 HD2 LYS 66 - HE3 LYS 68 far 0 95 0 - 9.5-12.9 HG3 LYS 73 - HE3 LYS 68 far 0 94 0 - 9.5-13.1 HD2 LYS 66 - HE2 LYS 68 far 0 92 0 - 9.5-13.5 HD2 LYS 94 - HE2 LYS 20 far 0 73 0 - 9.6-13.2 HG3 LYS 47 - HE2 LYS 39 far 0 61 0 - 9.7-15.9 HG3 LYS 12 - HE2 LYS 20 far 0 87 0 - 9.9-15.3 HB2 LEU 103 - HE2 LYS 94 far 0 63 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 2959 from cnoeabs.peaks (1.70, 2.90, 41.80 ppm; 2.98 A): 8 out of 69 assignments used, quality = 1.00: * HD3 LYS 66 + HE2 LYS 66 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 66 + HE3 LYS 66 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 20 + HE2 LYS 20 OK 71 71 100 100 2.2-3.0 3.0=99, 2.8/930=6...(41) HD2 LYS 20 + HE3 LYS 20 OK 69 70 100 100 2.2-3.0 3.0=99, 2.8/930=6...(41) HD3 LYS 20 + HE2 LYS 20 OK 67 67 100 100 2.3-3.0 3.0=99, 2.8/930=6...(41) HD3 LYS 20 + HE3 LYS 20 OK 65 65 100 100 2.4-3.0 3.0=99, 2.8/930=6...(41) HG3 LYS 20 + HE2 LYS 20 OK 64 67 100 95 2.4-3.8 3.6=59, 1.8/930=8...(75) HG3 LYS 20 + HE3 LYS 20 OK 62 65 100 95 2.5-4.1 3.6=59, 1.8/930=8...(75) HG LEU 70 - HE3 LYS 66 poor 15 99 25 61 2.4-6.2 2.1/10821=12, 12323=9...(19) HG LEU 70 - HE2 LYS 66 poor 15 100 25 61 2.8-7.6 2.1/10821=11...(17) HB3 ARG 91 - HE3 LYS 94 poor 10 80 45 28 2.9-8.3 1820/3.9=3, ~4242=3...(13) HB3 ARG 91 - HE2 LYS 94 poor 8 61 50 28 2.8-9.1 1820/3.9=3, ~4242=3...(14) HB3 LEU 70 - HE2 LYS 39 far 7 68 10 - 3.2-7.4 HD2 LYS 73 - HE2 LYS 39 far 7 44 15 - 3.0-10.0 HD2 LYS 73 - HE3 LYS 39 far 5 54 10 - 4.0-9.0 HD3 LYS 73 - HE2 LYS 39 far 4 41 10 - 3.7-10.2 HB3 LEU 70 - HE3 LYS 39 far 4 81 5 - 4.0-7.0 HD3 LYS 24 - HE2 LYS 94 far 4 70 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 4 70 5 - 4.1-10.1 HD2 LYS 24 - HE2 LYS 94 far 3 70 5 - 4.0-12.2 HD3 LYS 73 - HE3 LYS 39 far 3 50 5 - 4.0-9.3 HD2 LYS 90 - HE2 LYS 94 far 2 36 5 - 4.5-10.9 HD3 LYS 24 - HE2 LYS 20 far 0 88 0 - 4.6-10.4 HB3 LEU 70 - HE3 LYS 66 far 0 96 0 - 4.8-8.9 HD3 LYS 90 - HE3 LYS 94 far 0 90 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 90 0 - 5.0-13.8 HB3 LYS 40 - HE2 LYS 39 far 0 64 0 - 5.1-9.7 HB3 LEU 70 - HE2 LYS 66 far 0 97 0 - 5.3-9.9 HD3 LYS 24 - HE3 LYS 20 far 0 86 0 - 5.4-11.7 HD2 LYS 90 - HE3 LYS 94 far 0 50 0 - 5.4-10.9 HD2 LYS 24 - HE3 LYS 94 far 0 89 0 - 5.5-13.1 HG LEU 70 - HE2 LYS 39 far 0 73 0 - 5.6-9.0 HD2 LYS 90 - HE3 LYS 20 far 0 47 0 - 5.6-11.0 HD2 LYS 73 - HE3 LYS 66 far 0 68 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 70 0 - 5.6-11.5 HB3 LYS 40 - HE3 LYS 39 far 0 77 0 - 5.7-9.2 HD2 ARG 81 - HE2 LYS 68 far 0 75 0 - 5.8-10.7 HD2 LYS 24 - HE2 LYS 20 far 0 88 0 - 6.0-11.5 HG LEU 70 - HE3 LYS 39 far 0 87 0 - 6.3-8.9 HD3 LYS 90 - HE2 LYS 20 far 0 88 0 - 6.4-11.9 HD2 LYS 90 - HE2 LYS 20 far 0 48 0 - 6.6-11.4 HD2 LYS 24 - HE3 LYS 20 far 0 86 0 - 6.7-12.9 HD2 ARG 81 - HE3 LYS 68 far 0 78 0 - 6.8-11.3 HD3 LYS 90 - HE3 LYS 20 far 0 86 0 - 7.2-11.1 HB ILE 15 - HE3 LYS 20 far 0 64 0 - 7.2-11.5 HD3 LYS 73 - HE2 LYS 66 far 0 65 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 64 0 - 7.2-11.5 HD3 LYS 12 - HE3 LYS 20 far 0 87 0 - 7.5-15.2 HG3 LYS 20 - HE3 LYS 94 far 0 69 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 51 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 87 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 84 0 - 7.8-12.5 HD3 LYS 66 - HE2 LYS 39 far 0 73 0 - 7.9-13.2 HD3 LYS 66 - HE3 LYS 68 far 0 95 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 89 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 89 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 92 0 - 8.2-11.8 HB ILE 15 - HE2 LYS 20 far 0 65 0 - 8.3-11.7 HD3 LYS 66 - HE3 LYS 39 far 0 87 0 - 8.3-12.6 HG LEU 70 - HE3 LYS 68 far 0 94 0 - 8.3-11.1 HG LEU 70 - HE2 LYS 68 far 0 92 0 - 8.5-11.3 HG12 ILE 15 - HE3 LYS 20 far 0 85 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 55 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 51 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 86 0 - 9.5-13.1 HD3 LYS 13 - HE3 LYS 20 far 0 87 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 69 0 - 9.7-14.2 HD2 LYS 47 - HE2 LYS 39 far 0 61 0 - 9.8-17.6 HG12 ILE 15 - HE2 LYS 20 far 0 87 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2960 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 66 + HE2 LYS 66 OK 100 100 - 100 HE3 LYS 66 + HE3 LYS 66 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 90 90 - 100 HE2 LYS 68 + HE2 LYS 68 OK 85 85 - 100 HE3 LYS 94 + HE3 LYS 94 OK 83 83 - 100 HE2 LYS 20 + HE2 LYS 20 OK 80 80 - 100 HE3 LYS 20 + HE3 LYS 20 OK 77 77 - 100 HE3 LYS 39 + HE3 LYS 39 OK 77 77 - 100 HE2 LYS 39 + HE2 LYS 39 OK 57 57 - 100 HE2 LYS 94 + HE2 LYS 94 OK 54 54 - 100 Peak 2961 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 66 + HE2 LYS 66 OK 100 100 - 100 HE3 LYS 66 + HE3 LYS 66 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 93 93 - 100 HE2 LYS 68 + HE2 LYS 68 OK 90 90 - 100 HE3 LYS 94 + HE3 LYS 94 OK 87 87 - 100 HE2 LYS 20 + HE2 LYS 20 OK 85 85 - 100 HE3 LYS 20 + HE3 LYS 20 OK 83 83 - 100 HE3 LYS 39 + HE3 LYS 39 OK 70 70 - 100 HE2 LYS 94 + HE2 LYS 94 OK 61 61 - 100 HE2 LYS 39 + HE2 LYS 39 OK 49 49 - 100 Reference assignment not found: HE3 LYS 66 - HE2 LYS 66 Peak 2963 from cnoeabs.peaks (7.80, 2.90, 41.80 ppm; 4.54 A): 4 out of 21 assignments used, quality = 1.00: * H LYS 66 + HE3 LYS 66 OK 100 100 100 100 3.0-5.9 7074/2.9=76, 7070/4.7=60...(33) H LYS 66 + HE2 LYS 66 OK 94 99 95 100 3.8-6.1 7074/2.9=76, 7070/4.7=60...(32) H LYS 20 + HE2 LYS 20 OK 94 94 100 100 1.9-5.2 893/3.6=65, 882/3.6=62...(28) H LYS 20 + HE3 LYS 20 OK 93 93 100 100 1.8-4.9 893/3.6=65, 882/3.6=62...(31) H LYS 66 - HE3 LYS 68 far 5 99 5 - 5.5-8.8 H LYS 66 - HE2 LYS 68 far 5 98 5 - 5.6-9.3 H LYS 73 - HE2 LYS 39 far 1 27 5 - 5.7-10.9 H TYR 41 - HE3 LYS 39 far 0 61 0 - 6.1-9.3 H LYS 73 - HE3 LYS 39 far 0 36 0 - 6.2-10.8 H TYR 41 - HE2 LYS 39 far 0 47 0 - 6.2-9.3 H ASN 26 - HE2 LYS 94 far 0 46 0 - 6.4-12.8 H ASN 26 - HE3 LYS 94 far 0 57 0 - 8.0-13.6 H LYS 73 - HE3 LYS 66 far 0 59 0 - 8.2-11.6 H LYS 73 - HE2 LYS 66 far 0 58 0 - 8.2-13.1 H LYS 73 - HE3 LYS 68 far 0 57 0 - 8.2-11.4 H LYS 73 - HE2 LYS 68 far 0 56 0 - 8.5-11.4 H GLU 99 - HE2 LYS 94 far 0 83 0 - 9.2-11.4 H GLU 99 - HE3 LYS 94 far 0 96 0 - 9.2-11.9 HE ARG 30 - HE3 LYS 20 far 0 91 0 - 9.5-17.8 H LYS 20 - HE2 LYS 94 far 0 82 0 - 9.7-12.7 H LYS 20 - HE3 LYS 94 far 0 95 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 2964 from cnoeabs.peaks (4.08, 2.90, 41.80 ppm; 3.94 A): 8 out of 23 assignments used, quality = 1.00: * HA LYS 66 + HE3 LYS 66 OK 100 100 100 100 1.9-4.1 2942/2.9=67, 2931/2.9=39...(54) HA LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.6-4.3 2942/2.9=67, 2931/2.9=39...(54) HA LYS 20 + HE2 LYS 20 OK 73 77 95 100 3.0-5.6 848/3.6=34, 6.3=24...(97) HA LYS 20 + HE3 LYS 20 OK 72 76 95 100 3.2-5.6 848/3.6=34, 6.3=24...(97) HA GLU 17 + HE2 LYS 20 OK 61 79 100 77 2.9-5.1 894/3.6=17, 2879=15...(21) HA GLU 17 + HE3 LYS 20 OK 60 78 100 78 2.0-4.9 894/3.6=17, 2879=15...(23) HA GLU 16 + HE2 LYS 20 OK 24 65 55 67 4.0-7.9 848/3.6=13, 850/3.0=10...(18) HA GLU 16 + HE3 LYS 20 OK 24 64 55 68 2.8-7.5 848/3.6=13, 850/3.0=10...(19) HA LYS 24 - HE2 LYS 94 far 0 69 0 - 6.1-12.9 HA LYS 66 - HE3 LYS 68 far 0 99 0 - 6.4-9.7 HA LYS 66 - HE2 LYS 68 far 0 98 0 - 6.6-10.3 HA LYS 24 - HE3 LYS 20 far 0 81 0 - 7.4-10.7 HA LYS 24 - HE2 LYS 20 far 0 82 0 - 7.4-9.6 HA LYS 24 - HE3 LYS 94 far 0 83 0 - 7.7-13.7 HA PRO 86 - HE3 LYS 20 far 0 92 0 - 8.0-12.0 HA LYS 66 - HE2 LYS 39 far 0 57 0 - 8.6-12.7 HA GLU 17 - HE3 LYS 94 far 0 80 0 - 8.9-12.7 HA LYS 20 - HE2 LYS 94 far 0 65 0 - 9.0-13.0 HA PRO 86 - HE2 LYS 20 far 0 93 0 - 9.2-12.2 HA GLU 17 - HE2 LYS 94 far 0 66 0 - 9.2-12.2 HA LYS 66 - HE3 LYS 39 far 0 73 0 - 9.4-12.5 HA LYS 20 - HE3 LYS 94 far 0 78 0 - 9.6-13.3 HA PRO 86 - HE2 LYS 94 far 0 81 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 2965 from cnoeabs.peaks (1.77, 2.90, 41.80 ppm; 4.07 A): 4 out of 34 assignments used, quality = 1.00: * HB2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.0-4.4 2943/2.9=70, 4.7=64...(47) HB2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.1-4.6 2943/2.9=70, 4.7=64...(47) HB2 LYS 39 + HE3 LYS 39 OK 46 46 100 100 1.9-4.6 4.9=56, 1686/3.0=24...(61) HB2 LYS 39 + HE2 LYS 39 OK 35 35 100 100 3.4-4.6 4.9=56, 1686/3.0=24...(63) HD2 LYS 90 - HE2 LYS 94 poor 13 63 20 - 4.5-10.9 HG3 ARG 19 - HE3 LYS 20 poor 13 95 45 30 4.8-9.2 6303/6313=19, 782/2995=5 HD2 LYS 90 - HE3 LYS 94 far 8 77 10 - 5.4-10.9 HG3 ARG 19 - HE2 LYS 20 far 5 96 5 - 5.2-10.0 HD2 LYS 90 - HE3 LYS 20 far 0 75 0 - 5.6-11.0 HB2 LYS 39 - HE3 LYS 66 far 0 73 0 - 5.6-11.5 HB ILE 93 - HE2 LYS 94 far 0 47 0 - 5.9-7.2 HB ILE 93 - HE3 LYS 94 far 0 59 0 - 5.9-7.4 HB2 LYS 39 - HE2 LYS 66 far 0 71 0 - 6.3-12.6 HD2 LYS 90 - HE2 LYS 20 far 0 76 0 - 6.6-11.4 HB3 GLU 63 - HE2 LYS 66 far 0 97 0 - 7.2-10.4 HB ILE 15 - HE3 LYS 20 far 0 57 0 - 7.2-11.5 HB ILE 56 - HE2 LYS 68 far 0 98 0 - 7.2-10.2 HB ILE 56 - HE3 LYS 68 far 0 99 0 - 7.3-9.7 HB3 GLU 63 - HE3 LYS 66 far 0 98 0 - 7.8-9.8 HB VAL 78 - HE3 LYS 68 far 0 95 0 - 7.9-11.2 HB2 LYS 66 - HE2 LYS 39 far 0 57 0 - 8.0-13.1 HB3 LYS 82 - HE2 LYS 68 far 0 98 0 - 8.2-12.1 HB ILE 15 - HE2 LYS 20 far 0 58 0 - 8.3-11.7 HB2 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.4-11.2 HB2 LYS 66 - HE2 LYS 68 far 0 98 0 - 8.5-11.9 HB2 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.9-12.8 HB VAL 78 - HE2 LYS 68 far 0 94 0 - 8.9-11.1 HB3 LYS 82 - HE3 LYS 68 far 0 99 0 - 8.9-11.9 HG3 ARG 46 - HE2 LYS 39 far 0 47 0 - 9.0-13.6 HG3 ARG 46 - HE3 LYS 39 far 0 61 0 - 9.1-13.4 HB3 GLU 63 - HE2 LYS 68 far 0 95 0 - 9.2-13.1 HB3 GLU 63 - HE3 LYS 68 far 0 96 0 - 9.3-12.4 HB ILE 93 - HE2 LYS 20 far 0 58 0 - 9.6-11.6 HB ILE 93 - HE3 LYS 20 far 0 57 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 2966 from cnoeabs.peaks (1.86, 2.90, 41.80 ppm; 3.48 A): 10 out of 44 assignments used, quality = 1.00: * HB3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 3.4-4.6 2904/2.9=40, 4.7=40...(43) HB3 LYS 68 + HE3 LYS 68 OK 96 97 100 98 2.8-4.4 5.0=34, 3018/1.8=13...(67) HB3 LYS 68 + HE2 LYS 68 OK 90 96 95 98 2.9-5.0 5.0=34, 3018/1.8=13...(67) HB2 LYS 68 + HE3 LYS 68 OK 85 86 100 99 2.6-4.3 5.0=34, 1.8/3018=13...(71) HB2 LYS 68 + HE2 LYS 68 OK 83 84 100 99 3.1-4.5 5.0=34, 1.8/3018=13...(71) HB2 LYS 20 + HE2 LYS 20 OK 73 74 100 98 1.9-3.5 4.7=40, 4.0/6313=14...(89) HB2 LYS 20 + HE3 LYS 20 OK 71 73 100 98 1.9-3.6 4.7=40, 4.0/6313=14...(89) HB3 LYS 66 + HE2 LYS 66 OK 69 99 70 100 3.3-5.1 2904/2.9=40, 4.7=40...(43) HB3 LYS 39 + HE3 LYS 39 OK 69 73 95 98 3.1-5.0 4.9=35, 1.8/1689=19...(40) HB3 LYS 39 + HE2 LYS 39 OK 56 57 100 98 3.2-4.7 4.9=35, 1.8/1689=19...(41) HB2 ARG 19 - HE3 LYS 20 poor 12 68 50 35 2.6-8.0 4.1/6313=14, 788/6.3=4...(9) HB2 ARG 19 - HE2 LYS 20 poor 12 69 50 34 3.6-7.8 4.1/6313=14, 788/6.3=4...(8) HB3 LYS 90 - HE2 LYS 94 far 6 63 10 - 4.7-8.2 HB3 LYS 90 - HE3 LYS 94 far 4 77 5 - 4.9-8.0 HB3 GLU 104 - HE3 LYS 68 far 0 98 0 - 5.3-18.3 HB3 GLU 104 - HE2 LYS 68 far 0 96 0 - 5.9-17.0 HB3 LYS 90 - HE2 LYS 20 far 0 76 0 - 6.1-10.1 HB3 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.2-9.1 HB3 LYS 39 - HE3 LYS 66 far 0 100 0 - 6.5-12.1 HB3 LYS 90 - HE3 LYS 20 far 0 75 0 - 6.8-9.1 HG LEU 42 - HE2 LYS 39 far 0 32 0 - 7.0-10.1 HG LEU 42 - HE3 LYS 39 far 0 42 0 - 7.0-9.9 HB3 GLU 104 - HE3 LYS 94 far 0 96 0 - 7.0-21.0 HB2 LYS 68 - HE3 LYS 66 far 0 88 0 - 7.2-10.6 HB3 LYS 68 - HE2 LYS 66 far 0 98 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 99 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.7-11.0 HB2 LYS 12 - HE3 LYS 20 far 0 95 0 - 8.1-12.2 HG2 ARG 46 - HE2 LYS 39 far 0 31 0 - 8.1-12.7 HG2 ARG 46 - HE3 LYS 39 far 0 41 0 - 8.1-12.3 HB2 LYS 68 - HE2 LYS 66 far 0 86 0 - 8.3-10.7 HB3 GLU 104 - HE2 LYS 94 far 0 82 0 - 8.7-20.8 HB ILE 8 - HE2 LYS 66 far 0 68 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 70 0 - 8.8-11.5 HB3 LYS 12 - HE3 LYS 20 far 0 95 0 - 9.1-13.0 HB3 LYS 66 - HE2 LYS 39 far 0 57 0 - 9.2-13.2 HG LEU 42 - HE3 LYS 66 far 0 68 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 66 0 - 9.4-14.1 HB2 LYS 12 - HE2 LYS 20 far 0 96 0 - 9.7-13.0 HB2 LYS 20 - HE3 LYS 94 far 0 75 0 - 9.7-13.6 HB VAL 54 - HE3 LYS 68 far 0 84 0 - 9.7-13.5 HB VAL 5 - HE3 LYS 20 far 0 96 0 - 9.7-12.9 HB2 LYS 20 - HE2 LYS 94 far 0 62 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 2967 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.41 A): 7 out of 68 assignments used, quality = 1.00: * HG2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.3-4.2 3.6=84, 2925/2.9=36...(53) HG3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(53) HG2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.1-4.2 3.6=84, 2925/2.9=36...(52) HG3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.0-4.2 3.6=84, 2925/2.9=36...(54) HG2 LYS 20 + HE2 LYS 20 OK 63 63 100 99 2.5-4.1 3.6=88, 4.9/6313=11...(96) HG2 LYS 20 + HE3 LYS 20 OK 62 62 100 99 2.5-3.8 3.6=88, 4.9/6313=11...(95) HG LEU 64 + HE3 LYS 68 OK 32 97 40 83 3.2-6.5 2.1/9484=20, ~10242=17...(19) HG LEU 64 - HE2 LYS 68 poor 20 95 25 83 3.4-6.7 2.1/9484=20, ~10242=17...(19) HB2 ARG 91 - HE2 LYS 94 poor 12 84 45 33 2.8-10.0 ~4242=4, 3.0/12237=4...(11) HB2 ARG 91 - HE3 LYS 94 poor 12 97 35 35 4.3-9.5 ~4242=4, 3.0/12237=4...(13) HG3 ARG 91 - HE3 LYS 94 poor 11 55 20 - 4.6-9.3 HG3 LYS 24 - HE2 LYS 94 far 8 76 10 - 3.6-11.3 HG2 LYS 73 - HE2 LYS 39 far 3 57 5 - 4.5-11.1 HG3 ARG 91 - HE2 LYS 94 lone 3 44 50 13 4.0-9.7 4.0/12237=4, 9485/1.8=1...(4) HD3 LYS 40 - HE3 LYS 39 far 3 55 5 - 4.7-10.0 HD3 LYS 40 - HE2 LYS 39 far 2 42 5 - 4.3-10.5 HB2 LEU 38 - HE3 LYS 39 far 2 41 5 - 4.5-9.8 HG LEU 38 - HE3 LYS 66 far 0 73 0 - 5.1-11.4 HG3 LYS 24 - HE3 LYS 94 far 0 90 0 - 5.1-11.2 HD2 LYS 40 - HE2 LYS 39 far 0 41 0 - 5.1-11.3 HD2 LYS 40 - HE3 LYS 39 far 0 53 0 - 5.2-10.5 HB2 LEU 38 - HE3 LYS 66 far 0 65 0 - 5.3-9.6 HB3 LEU 103 - HE3 LYS 68 far 0 71 0 - 5.3-18.6 HG LEU 38 - HE2 LYS 66 far 0 71 0 - 5.4-12.2 HB2 LEU 38 - HE2 LYS 39 far 0 31 0 - 5.5-9.5 HB3 LEU 103 - HE2 LYS 68 far 0 69 0 - 5.6-17.7 HB2 LEU 38 - HE2 LYS 66 far 0 64 0 - 5.6-10.4 HB3 LEU 64 - HE3 LYS 68 far 0 99 0 - 6.0-8.8 HG2 LYS 73 - HE3 LYS 39 far 0 73 0 - 6.1-10.6 HB3 LEU 64 - HE2 LYS 68 far 0 98 0 - 6.4-9.2 HG2 LYS 73 - HE3 LYS 66 far 0 100 0 - 6.8-11.5 HG LEU 38 - HE3 LYS 39 far 0 46 0 - 6.8-10.4 HG2 LYS 73 - HE2 LYS 66 far 0 99 0 - 6.9-12.3 HG LEU 64 - HE3 LYS 66 far 0 99 0 - 7.2-11.0 HG3 LYS 24 - HE3 LYS 20 far 0 88 0 - 7.4-10.9 HG3 LYS 24 - HE2 LYS 20 far 0 89 0 - 7.4-10.7 HG LEU 38 - HE2 LYS 39 far 0 35 0 - 7.5-10.6 HD2 LYS 82 - HE2 LYS 68 far 0 69 0 - 7.5-12.8 HG12 ILE 56 - HE3 LYS 68 far 0 55 0 - 7.6-10.5 HG12 ILE 56 - HE2 LYS 68 far 0 54 0 - 7.6-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.7-12.5 HD2 LYS 82 - HE3 LYS 68 far 0 71 0 - 7.8-12.7 HG2 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.8-13.1 HG LEU 64 - HE2 LYS 66 far 0 97 0 - 8.1-10.8 HG2 LYS 20 - HE3 LYS 94 far 0 64 0 - 8.2-13.6 HB2 LEU 27 - HE2 LYS 94 far 0 52 0 - 8.5-12.8 HB3 LEU 103 - HE2 LYS 94 far 0 56 0 - 8.6-21.1 HG3 LYS 66 - HE2 LYS 39 far 0 57 0 - 8.7-13.3 HB3 LEU 64 - HE3 LYS 66 far 0 100 0 - 8.7-11.5 HG2 LYS 20 - HE2 LYS 94 far 0 52 0 - 8.9-13.4 HG3 LYS 13 - HE3 LYS 20 far 0 95 0 - 8.9-13.6 HB2 LEU 14 - HE3 LYS 20 far 0 68 0 - 9.0-12.4 HG3 LYS 66 - HE3 LYS 39 far 0 73 0 - 9.1-13.5 HG2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.2-12.7 HG3 LYS 66 - HE3 LYS 68 far 0 99 0 - 9.2-12.5 HB ILE 7 - HE3 LYS 20 far 0 68 0 - 9.2-12.9 HG3 LYS 66 - HE2 LYS 68 far 0 98 0 - 9.3-12.7 HG2 LYS 73 - HE2 LYS 68 far 0 98 0 - 9.3-12.9 HB3 LEU 64 - HE2 LYS 66 far 0 99 0 - 9.5-11.8 HG2 LYS 66 - HE2 LYS 39 far 0 57 0 - 9.6-14.2 HG LEU 57 - HE2 LYS 94 far 0 82 0 - 9.7-12.4 HG3 ARG 30 - HE3 LYS 20 far 0 53 0 - 9.9-14.7 HD2 LYS 82 - HE3 LYS 66 far 0 73 0 - 9.9-15.5 HB ILE 7 - HE2 LYS 20 far 0 69 0 - 9.9-13.1 HB2 LEU 27 - HE3 LYS 20 far 0 62 0 - 9.9-12.7 HB3 LEU 103 - HE3 LYS 94 far 0 68 0 - 9.9-21.6 HG12 ILE 56 - HE3 LYS 66 far 0 57 0 - 9.9-12.9 HB2 LEU 27 - HE3 LYS 94 far 0 64 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2968 from cnoeabs.peaks (1.49, 2.90, 41.80 ppm; 3.41 A): 7 out of 66 assignments used, quality = 1.00: * HG3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.0-3.9 3.6=84, 2925/2.9=36...(53) HG2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.3-4.2 3.6=84, 2925/2.9=36...(53) HG3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.0-4.2 3.6=84, 2925/2.9=36...(54) HG2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.1-4.2 3.6=84, 2925/2.9=36...(52) HG2 LYS 20 + HE2 LYS 20 OK 59 60 100 99 2.5-4.1 3.6=88, 4.9/6313=11...(95) HG2 LYS 20 + HE3 LYS 20 OK 58 58 100 99 2.5-3.8 3.6=88, 4.9/6313=11...(94) HG LEU 64 + HE3 LYS 68 OK 32 96 40 83 3.2-6.5 2.1/9484=20, ~10242=17...(19) HG LEU 64 - HE2 LYS 68 poor 19 94 25 83 3.4-6.7 2.1/9484=20, ~10242=17...(19) HB2 ARG 91 - HE2 LYS 94 poor 12 83 45 32 2.8-10.0 ~4242=4, 3.0/12237=4...(10) HB2 ARG 91 - HE3 LYS 94 poor 12 96 35 34 4.3-9.5 ~4242=4, 3.0/12237=4...(12) HG3 LYS 24 - HE2 LYS 94 far 8 78 10 - 3.6-11.3 HG2 LYS 73 - HE2 LYS 39 far 3 57 5 - 4.5-11.1 HD3 LYS 40 - HE3 LYS 39 far 3 52 5 - 4.7-10.0 HD3 LYS 40 - HE2 LYS 39 far 2 39 5 - 4.3-10.5 HB2 LEU 38 - HE3 LYS 39 far 2 38 5 - 4.5-9.8 HG LEU 38 - HE3 LYS 66 far 0 70 0 - 5.1-11.4 HG3 LYS 24 - HE3 LYS 94 far 0 92 0 - 5.1-11.2 HD2 LYS 40 - HE2 LYS 39 far 0 38 0 - 5.1-11.3 HD2 LYS 40 - HE3 LYS 39 far 0 51 0 - 5.2-10.5 HB2 LEU 38 - HE3 LYS 66 far 0 61 0 - 5.3-9.6 HB3 LEU 103 - HE3 LYS 68 far 0 74 0 - 5.3-18.6 HG LEU 38 - HE2 LYS 66 far 0 68 0 - 5.4-12.2 HB2 LEU 38 - HE2 LYS 39 far 0 28 0 - 5.5-9.5 HB3 LEU 103 - HE2 LYS 68 far 0 73 0 - 5.6-17.7 HB2 LEU 38 - HE2 LYS 66 far 0 60 0 - 5.6-10.4 HB3 LEU 64 - HE3 LYS 68 far 0 99 0 - 6.0-8.8 HG2 LYS 73 - HE3 LYS 39 far 0 73 0 - 6.1-10.6 HB3 LEU 64 - HE2 LYS 68 far 0 98 0 - 6.4-9.2 HG2 LYS 73 - HE3 LYS 66 far 0 100 0 - 6.8-11.5 HG LEU 38 - HE3 LYS 39 far 0 44 0 - 6.8-10.4 HG2 LYS 73 - HE2 LYS 66 far 0 99 0 - 6.9-12.3 HG LEU 64 - HE3 LYS 66 far 0 98 0 - 7.2-11.0 HG3 LYS 24 - HE3 LYS 20 far 0 90 0 - 7.4-10.9 HG3 LYS 24 - HE2 LYS 20 far 0 91 0 - 7.4-10.7 HG LEU 38 - HE2 LYS 39 far 0 33 0 - 7.5-10.6 HD2 LYS 82 - HE2 LYS 68 far 0 65 0 - 7.5-12.8 HG12 ILE 56 - HE3 LYS 68 far 0 59 0 - 7.6-10.5 HG12 ILE 56 - HE2 LYS 68 far 0 58 0 - 7.6-11.3 HG2 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.7-12.5 HD2 LYS 82 - HE3 LYS 68 far 0 67 0 - 7.8-12.7 HG2 LYS 66 - HE2 LYS 68 far 0 98 0 - 7.8-13.1 HG LEU 64 - HE2 LYS 66 far 0 96 0 - 8.1-10.8 HG2 LYS 20 - HE3 LYS 94 far 0 61 0 - 8.2-13.6 HB2 LEU 27 - HE2 LYS 94 far 0 49 0 - 8.5-12.8 HB3 LEU 103 - HE2 LYS 94 far 0 59 0 - 8.6-21.1 HG3 LYS 66 - HE2 LYS 39 far 0 57 0 - 8.7-13.3 HB3 LEU 64 - HE3 LYS 66 far 0 100 0 - 8.7-11.5 HG2 LYS 20 - HE2 LYS 94 far 0 49 0 - 8.9-13.4 HG3 LYS 13 - HE3 LYS 20 far 0 95 0 - 8.9-13.6 HB2 LEU 14 - HE3 LYS 20 far 0 71 0 - 9.0-12.4 HG3 LYS 66 - HE3 LYS 39 far 0 73 0 - 9.1-13.5 HG2 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.2-12.7 HG3 LYS 66 - HE3 LYS 68 far 0 99 0 - 9.2-12.5 HB ILE 7 - HE3 LYS 20 far 0 71 0 - 9.2-12.9 HG3 LYS 66 - HE2 LYS 68 far 0 98 0 - 9.3-12.7 HG2 LYS 73 - HE2 LYS 68 far 0 98 0 - 9.3-12.9 HB3 LEU 64 - HE2 LYS 66 far 0 99 0 - 9.5-11.8 HG2 LYS 66 - HE2 LYS 39 far 0 57 0 - 9.6-14.2 HG LEU 57 - HE2 LYS 94 far 0 83 0 - 9.7-12.4 HG3 ARG 30 - HE3 LYS 20 far 0 57 0 - 9.9-14.7 HD2 LYS 82 - HE3 LYS 66 far 0 70 0 - 9.9-15.5 HB ILE 7 - HE2 LYS 20 far 0 72 0 - 9.9-13.1 HB2 LEU 27 - HE3 LYS 20 far 0 58 0 - 9.9-12.7 HB3 LEU 103 - HE3 LYS 94 far 0 72 0 - 9.9-21.6 HG12 ILE 56 - HE3 LYS 66 far 0 61 0 - 9.9-12.9 HB2 LEU 27 - HE3 LYS 94 far 0 61 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2969 from cnoeabs.peaks (1.60, 2.90, 41.80 ppm; 3.07 A): 6 out of 44 assignments used, quality = 1.00: * HD2 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.5-3.0 2.9=100 HD2 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.4-3.0 2.9=100 HD3 LYS 94 + HE3 LYS 94 OK 97 97 100 100 2.4-3.0 3.0=100 HD3 LYS 94 + HE2 LYS 94 OK 85 85 100 100 2.2-3.0 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 83 83 100 100 2.2-3.0 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 69 69 100 100 2.2-3.0 3.0=100 HG2 LYS 24 - HE2 LYS 94 far 12 78 15 - 3.1-11.5 HG2 LYS 24 - HE3 LYS 94 far 5 92 5 - 4.4-11.1 HG3 LYS 90 - HE3 LYS 94 far 5 90 5 - 4.2-9.3 HG2 ARG 19 - HE3 LYS 20 far 4 89 5 - 3.9-9.2 HG LEU 103 - HE2 LYS 68 far 0 89 0 - 4.7-19.2 HB2 ARG 79 - HE3 LYS 68 far 0 99 0 - 4.8-11.3 HG LEU 103 - HE3 LYS 68 far 0 91 0 - 4.9-21.0 HG3 LYS 90 - HE2 LYS 20 far 0 89 0 - 5.1-10.0 HG3 LYS 90 - HE2 LYS 94 far 0 76 0 - 5.3-8.9 HG3 LYS 73 - HE3 LYS 39 far 0 73 0 - 5.3-11.4 HG2 ARG 19 - HE2 LYS 20 far 0 90 0 - 5.5-9.9 HG3 LYS 73 - HE2 LYS 39 far 0 57 0 - 5.6-10.8 HB2 ARG 79 - HE2 LYS 68 far 0 98 0 - 6.0-11.8 HB2 LEU 103 - HE3 LYS 68 far 0 93 0 - 6.5-19.0 HB3 LEU 29 - HE3 LYS 20 far 0 95 0 - 6.6-10.9 HG2 LYS 24 - HE3 LYS 20 far 0 90 0 - 6.6-11.6 HG2 LYS 24 - HE2 LYS 20 far 0 91 0 - 6.6-10.5 HG3 LYS 90 - HE3 LYS 20 far 0 88 0 - 6.7-10.5 HB2 LEU 103 - HE2 LYS 68 far 0 92 0 - 6.7-17.6 HG3 LYS 73 - HE3 LYS 66 far 0 100 0 - 7.0-12.3 HG LEU 27 - HE2 LYS 94 far 0 85 0 - 7.1-12.1 HG3 LYS 73 - HE2 LYS 66 far 0 99 0 - 7.3-13.9 HB3 LEU 29 - HE2 LYS 20 far 0 96 0 - 7.9-11.5 HG LEU 27 - HE3 LYS 94 far 0 97 0 - 8.4-12.5 HD2 LYS 66 - HE2 LYS 39 far 0 57 0 - 8.9-14.1 HD2 LYS 66 - HE3 LYS 39 far 0 73 0 - 9.1-13.6 HD3 LYS 82 - HE2 LYS 68 far 0 63 0 - 9.2-13.1 HG3 LYS 12 - HE3 LYS 20 far 0 94 0 - 9.2-14.9 HG3 LYS 73 - HE2 LYS 68 far 0 98 0 - 9.2-13.2 HD3 LYS 82 - HE3 LYS 68 far 0 65 0 - 9.3-13.0 HD3 LYS 94 - HE2 LYS 20 far 0 96 0 - 9.4-13.1 HD2 LYS 66 - HE3 LYS 68 far 0 99 0 - 9.5-12.9 HG3 LYS 73 - HE3 LYS 68 far 0 99 0 - 9.5-13.1 HD2 LYS 66 - HE2 LYS 68 far 0 98 0 - 9.5-13.5 HD2 LYS 94 - HE2 LYS 20 far 0 82 0 - 9.6-13.2 HG3 LYS 47 - HE2 LYS 39 far 0 47 0 - 9.7-15.9 HG3 LYS 12 - HE2 LYS 20 far 0 95 0 - 9.9-15.3 HB2 LEU 103 - HE2 LYS 94 far 0 77 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 2970 from cnoeabs.peaks (1.70, 2.90, 41.80 ppm; 2.98 A): 8 out of 69 assignments used, quality = 1.00: * HD3 LYS 66 + HE3 LYS 66 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 66 + HE2 LYS 66 OK 99 99 100 100 2.2-3.0 2.9=100 HD2 LYS 20 + HE2 LYS 20 OK 80 80 100 100 2.2-3.0 3.0=99, 2.8/930=8...(41) HD2 LYS 20 + HE3 LYS 20 OK 79 79 100 100 2.2-3.0 3.0=99, 2.8/930=8...(41) HD3 LYS 20 + HE2 LYS 20 OK 75 76 100 100 2.3-3.0 3.0=99, 2.8/930=8...(41) HD3 LYS 20 + HE3 LYS 20 OK 74 75 100 100 2.4-3.0 3.0=99, 2.8/930=8...(41) HG3 LYS 20 + HE2 LYS 20 OK 72 76 100 96 2.4-3.8 3.6=59, 1.8/930=10...(75) HG3 LYS 20 + HE3 LYS 20 OK 71 75 100 96 2.5-4.1 3.6=59, 1.8/930=10...(75) HG LEU 70 - HE3 LYS 66 poor 15 100 25 60 2.4-6.2 2.1/10821=11, 12323=9...(18) HG LEU 70 - HE2 LYS 66 poor 15 99 25 60 2.8-7.6 2.1/10821=10...(17) HB3 ARG 91 - HE3 LYS 94 poor 11 88 45 28 2.9-8.3 1820/3.9=3, ~4242=3...(13) HB3 ARG 91 - HE2 LYS 94 poor 10 74 50 28 2.8-9.1 1820/3.9=3, ~4242=3...(14) HB3 LEU 70 - HE2 LYS 39 far 5 52 10 - 3.2-7.4 HD2 LYS 73 - HE2 LYS 39 far 5 33 15 - 3.0-10.0 HD2 LYS 73 - HE3 LYS 39 far 4 44 10 - 4.0-9.0 HD3 LYS 24 - HE2 LYS 94 far 4 84 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 4 84 5 - 4.1-10.1 HD2 LYS 24 - HE2 LYS 94 far 4 84 5 - 4.0-12.2 HB3 LEU 70 - HE3 LYS 39 far 3 68 5 - 4.0-7.0 HD3 LYS 73 - HE2 LYS 39 far 3 31 10 - 3.7-10.2 HD2 LYS 90 - HE2 LYS 94 far 2 46 5 - 4.5-10.9 HD3 LYS 73 - HE3 LYS 39 far 2 41 5 - 4.0-9.3 HD3 LYS 24 - HE2 LYS 20 far 0 96 0 - 4.6-10.4 HB3 LEU 70 - HE3 LYS 66 far 0 97 0 - 4.8-8.9 HD3 LYS 90 - HE3 LYS 94 far 0 97 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 97 0 - 5.0-13.8 HB3 LYS 40 - HE2 LYS 39 far 0 49 0 - 5.1-9.7 HB3 LEU 70 - HE2 LYS 66 far 0 96 0 - 5.3-9.9 HD3 LYS 24 - HE3 LYS 20 far 0 95 0 - 5.4-11.7 HD2 LYS 90 - HE3 LYS 94 far 0 57 0 - 5.4-10.9 HD2 LYS 24 - HE3 LYS 94 far 0 97 0 - 5.5-13.1 HG LEU 70 - HE2 LYS 39 far 0 57 0 - 5.6-9.0 HD2 LYS 90 - HE3 LYS 20 far 0 55 0 - 5.6-11.0 HD2 LYS 73 - HE3 LYS 66 far 0 70 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 68 0 - 5.6-11.5 HB3 LYS 40 - HE3 LYS 39 far 0 64 0 - 5.7-9.2 HD2 ARG 81 - HE2 LYS 68 far 0 83 0 - 5.8-10.7 HD2 LYS 24 - HE2 LYS 20 far 0 96 0 - 6.0-11.5 HG LEU 70 - HE3 LYS 39 far 0 73 0 - 6.3-8.9 HD3 LYS 90 - HE2 LYS 20 far 0 96 0 - 6.4-11.9 HD2 LYS 90 - HE2 LYS 20 far 0 56 0 - 6.6-11.4 HD2 LYS 24 - HE3 LYS 20 far 0 95 0 - 6.7-12.9 HD2 ARG 81 - HE3 LYS 68 far 0 84 0 - 6.8-11.3 HD3 LYS 90 - HE3 LYS 20 far 0 95 0 - 7.2-11.1 HB ILE 15 - HE3 LYS 20 far 0 73 0 - 7.2-11.5 HD3 LYS 73 - HE2 LYS 66 far 0 64 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 65 0 - 7.2-11.5 HD3 LYS 12 - HE3 LYS 20 far 0 96 0 - 7.5-15.2 HG3 LYS 20 - HE3 LYS 94 far 0 77 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 63 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 96 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 94 0 - 7.8-12.5 HD3 LYS 66 - HE2 LYS 39 far 0 57 0 - 7.9-13.2 HD3 LYS 66 - HE3 LYS 68 far 0 99 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 97 0 - 8.0-16.0 HD2 LYS 12 - HE2 LYS 20 far 0 97 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 98 0 - 8.2-11.8 HB ILE 15 - HE2 LYS 20 far 0 74 0 - 8.3-11.7 HD3 LYS 66 - HE3 LYS 39 far 0 73 0 - 8.3-12.6 HG LEU 70 - HE3 LYS 68 far 0 99 0 - 8.3-11.1 HG LEU 70 - HE2 LYS 68 far 0 98 0 - 8.5-11.3 HG12 ILE 15 - HE3 LYS 20 far 0 94 0 - 9.1-12.9 HD2 LYS 20 - HE2 LYS 94 far 0 68 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 63 0 - 9.4-14.0 HG2 PRO 86 - HE2 LYS 20 far 0 95 0 - 9.5-13.1 HD3 LYS 13 - HE3 LYS 20 far 0 96 0 - 9.6-14.9 HD3 LYS 20 - HE3 LYS 94 far 0 77 0 - 9.7-14.2 HD2 LYS 47 - HE2 LYS 39 far 0 47 0 - 9.8-17.6 HG12 ILE 15 - HE2 LYS 20 far 0 95 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 2971 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 66 + HE3 LYS 66 OK 100 100 - 100 HE2 LYS 66 + HE2 LYS 66 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 96 96 - 100 HE2 LYS 68 + HE2 LYS 68 OK 93 93 - 100 HE3 LYS 94 + HE3 LYS 94 OK 91 91 - 100 HE2 LYS 20 + HE2 LYS 20 OK 89 89 - 100 HE3 LYS 20 + HE3 LYS 20 OK 87 87 - 100 HE2 LYS 94 + HE2 LYS 94 OK 66 66 - 100 HE3 LYS 39 + HE3 LYS 39 OK 64 64 - 100 HE2 LYS 39 + HE2 LYS 39 OK 44 44 - 100 Reference assignment not found: HE2 LYS 66 - HE3 LYS 66 Peak 2972 from cnoeabs.peaks (2.90, 2.90, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 66 + HE3 LYS 66 OK 100 100 - 100 HE2 LYS 66 + HE2 LYS 66 OK 99 99 - 100 HE3 LYS 68 + HE3 LYS 68 OK 98 98 - 100 HE2 LYS 68 + HE2 LYS 68 OK 96 96 - 100 HE3 LYS 94 + HE3 LYS 94 OK 95 95 - 100 HE2 LYS 20 + HE2 LYS 20 OK 94 94 - 100 HE3 LYS 20 + HE3 LYS 20 OK 92 92 - 100 HE2 LYS 94 + HE2 LYS 94 OK 74 74 - 100 HE3 LYS 39 + HE3 LYS 39 OK 57 57 - 100 HE2 LYS 39 + HE2 LYS 39 OK 37 37 - 100 Peak 2974 from cnoeabs.peaks (8.48, 3.85, 55.40 ppm; 3.75 A): 1 out of 9 assignments used, quality = 1.00: * H ALA 67 + HA ALA 67 OK 100 100 100 100 2.8-2.9 3.0=100 H LEU 29 - HA ALA 22 poor 15 44 55 63 4.9-5.9 8586/2.1=29, ~10453=24...(9) H ARG 79 - HA ALA 71 far 0 69 0 - 7.4-8.1 H ALA 67 - HA ALA 71 far 0 80 0 - 8.1-9.2 H VAL 54 - HA ALA 71 far 0 77 0 - 8.4-9.6 H ARG 79 - HA ALA 67 far 0 93 0 - 8.4-10.0 H ILE 7 - HA ALA 67 far 0 90 0 - 8.8-11.6 H VAL 32 - HA ALA 67 far 0 100 0 - 9.1-10.8 H ILE 7 - HA ALA 22 far 0 53 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 2975 from cnoeabs.peaks (3.85, 3.85, 55.40 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ALA 67 + HA ALA 67 OK 100 100 - 100 HA ALA 71 + HA ALA 71 OK 78 78 - 100 HA ALA 22 + HA ALA 22 OK 47 47 - 100 Peak 2976 from cnoeabs.peaks (1.34, 3.85, 55.40 ppm; 2.94 A): 6 out of 16 assignments used, quality = 1.00: * QB ALA 67 + HA ALA 67 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 70 + HA ALA 67 OK 55 73 100 75 2.6-3.3 1.8/3141=20, 3.9/2978=12...(16) QB ALA 25 + HA ALA 22 OK 55 65 100 85 2.3-3.3 6408/6394=25, 1154=23...(17) HB2 LEU 70 + HA ALA 71 OK 45 51 100 87 3.8-4.2 7159/3.0=30, 1.8/3141=21...(20) HB3 LEU 27 + HA ALA 22 OK 30 64 55 86 4.1-4.7 1198/2.1=27, 1.8/8636=27...(19) HB3 LEU 42 + HA ALA 71 OK 29 48 95 64 3.2-4.5 3.1/8924=11, ~10414=10...(20) HG2 LYS 39 - HA ALA 71 far 0 78 0 - 5.3-8.8 QB ALA 67 - HA ALA 71 far 0 80 0 - 5.4-6.5 HG3 LYS 68 - HA ALA 67 far 0 98 0 - 6.4-7.6 HG12 ILE 8 - HA ALA 67 far 0 84 0 - 6.5-8.5 HB3 LEU 42 - HA ALA 67 far 0 70 0 - 6.6-8.2 HG2 LYS 39 - HA ALA 67 far 0 99 0 - 6.7-8.2 HG3 LYS 68 - HA ALA 71 far 0 75 0 - 7.4-9.8 QB ALA 89 - HA ALA 22 far 0 65 0 - 7.8-8.6 HG2 LYS 94 - HA ALA 22 far 0 65 0 - 8.1-9.4 HG LEU 3 - HA ALA 22 far 0 33 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 2977 from cnoeabs.peaks (8.19, 3.85, 55.40 ppm; 4.48 A): 1 out of 7 assignments used, quality = 1.00: * H LYS 68 + HA ALA 67 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 43 - HA ALA 71 far 0 78 0 - 6.1-7.1 H SER 97 - HA ALA 22 far 0 43 0 - 6.2-7.1 H PHE 96 - HA ALA 22 far 0 48 0 - 7.1-8.6 H LYS 68 - HA ALA 71 far 0 80 0 - 7.2-7.8 H ASP 36 - HA ALA 67 far 0 100 0 - 7.3-8.5 H GLU 43 - HA ALA 67 far 0 100 0 - 8.6-10.1 Violated in 0 structures by 0.00 A. Peak 2978 from cnoeabs.peaks (7.96, 3.85, 55.40 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HA ALA 67 OK 100 100 100 100 3.1-4.1 7137/7121=66...(16) H LEU 70 + HA ALA 71 OK 78 80 100 98 5.1-5.6 7157/3.0=81, 7140=50...(11) H LEU 42 - HA ALA 71 far 0 80 0 - 5.9-6.8 H LEU 42 - HA ALA 67 far 0 100 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 2979 from cnoeabs.peaks (1.37, 3.85, 55.40 ppm; 3.17 A): 5 out of 14 assignments used, quality = 1.00: * HB2 LEU 70 + HA ALA 67 OK 85 100 100 85 2.6-3.3 1.8/3141=24, 3132=22...(17) HB2 LEU 70 + HA ALA 71 OK 76 80 100 95 3.8-4.2 7159/3.0=47, 1.8/3141=25...(21) QB ALA 67 + HA ALA 67 OK 73 73 100 100 2.1-2.1 2.1=100 HB3 LEU 27 + HA ALA 22 OK 42 49 95 90 4.1-4.7 1.8/8636=33, 1198/2.1=25...(18) QB ALA 25 + HA ALA 22 OK 37 43 100 86 2.3-3.3 8570/3.0=30, 2.9/6394=29...(17) HG2 LYS 39 - HA ALA 71 far 0 63 0 - 5.3-8.8 QB ALA 67 - HA ALA 71 far 0 51 0 - 5.4-6.5 HG3 LYS 94 - HA ALA 22 far 0 61 0 - 6.3-9.4 HG3 LYS 68 - HA ALA 67 far 0 92 0 - 6.4-7.6 HG12 ILE 8 - HA ALA 67 far 0 100 0 - 6.5-8.5 HG2 LYS 39 - HA ALA 67 far 0 87 0 - 6.7-8.2 HG3 LYS 68 - HA ALA 71 far 0 68 0 - 7.4-9.8 QB ALA 89 - HA ALA 22 far 0 43 0 - 7.8-8.6 HG2 LYS 94 - HA ALA 22 far 0 43 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 2980 from cnoeabs.peaks (1.72, 3.85, 55.40 ppm; 3.88 A): 3 out of 14 assignments used, quality = 1.00: * HB3 LEU 70 + HA ALA 67 OK 95 100 100 95 4.2-5.0 3141=48, 1.8/3132=31...(15) HG LEU 70 + HA ALA 67 OK 90 95 100 94 1.9-3.7 3.0/3141=28, 2.1/9541=27...(19) HB3 LEU 70 + HA ALA 71 OK 79 80 100 99 4.3-4.8 3149/3.0=61, 3141=50...(20) HD3 LYS 66 - HA ALA 67 far 10 97 10 - 5.3-6.6 HG LEU 70 - HA ALA 71 far 0 71 0 - 5.8-6.4 HD2 LYS 24 - HA ALA 22 far 0 55 0 - 5.8-8.9 HD3 LYS 24 - HA ALA 22 far 0 56 0 - 5.9-8.3 HB2 GLU 28 - HA ALA 22 far 0 47 0 - 7.6-8.2 HD2 LYS 20 - HA ALA 22 far 0 33 0 - 9.1-10.7 HB3 LYS 40 - HA ALA 67 far 0 73 0 - 9.4-10.7 HD2 LYS 90 - HA ALA 22 far 0 50 0 - 9.6-11.6 HB3 LYS 40 - HA ALA 71 far 0 51 0 - 9.7-10.9 HD3 LYS 90 - HA ALA 22 far 0 56 0 - 9.7-11.2 HD3 LYS 66 - HA ALA 71 far 0 74 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 2981 from cnoeabs.peaks (3.75, 1.34, 17.79 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.99: * HA LEU 64 + QB ALA 67 OK 99 100 100 99 3.2-3.7 2809=76, 7099/2985=49...(19) Violated in 6 structures by 0.01 A. Peak 2982 from cnoeabs.peaks (8.48, 1.34, 17.79 ppm; 3.01 A): 1 out of 6 assignments used, quality = 1.00: * H ALA 67 + QB ALA 67 OK 100 100 100 100 2.0-2.2 2.9=100 H ARG 79 - QB ALA 67 far 0 93 0 - 5.8-7.3 H ILE 7 - QB ALA 67 far 0 90 0 - 5.9-7.9 H VAL 32 - QB ALA 67 far 0 100 0 - 6.3-7.7 H VAL 54 - QB ALA 67 far 0 99 0 - 8.5-9.7 H THR 31 - QB ALA 67 far 0 96 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 2983 from cnoeabs.peaks (3.85, 1.34, 17.79 ppm; 2.92 A): 2 out of 6 assignments used, quality = 1.00: * HA ALA 67 + QB ALA 67 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 38 + QB ALA 67 OK 29 92 65 48 3.6-5.3 3.8/9526=9, 8934/10336=7...(16) HA GLU 35 - QB ALA 67 far 7 71 10 - 4.3-5.3 HA ALA 71 - QB ALA 67 far 0 99 0 - 5.4-6.5 HA LYS 40 - QB ALA 67 far 0 99 0 - 8.5-9.9 HA GLU 43 - QB ALA 67 far 0 79 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 2984 from cnoeabs.peaks (1.34, 1.34, 17.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 67 + QB ALA 67 OK 100 100 - 100 Peak 2985 from cnoeabs.peaks (8.19, 1.34, 17.79 ppm; 3.40 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 68 + QB ALA 67 OK 100 100 100 100 2.8-2.9 3.6=85, 7104/2.1=66...(24) H ASP 36 - QB ALA 67 far 0 100 0 - 7.2-8.1 H GLU 43 - QB ALA 67 far 0 100 0 - 7.6-8.9 H HIS 106 - QB ALA 67 far 0 73 0 - 9.1-19.6 H GLU 104 - QB ALA 67 far 0 77 0 - 9.9-17.6 Violated in 0 structures by 0.00 A. Peak 2986 from cnoeabs.peaks (8.19, 3.81, 59.95 ppm; 3.40 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 68 + HA LYS 68 OK 100 100 100 100 2.8-2.9 2.9=100 H GLU 104 - HA LYS 68 far 0 77 0 - 8.5-18.4 H HIS 106 - HA LYS 68 far 0 73 0 - 8.5-20.6 Violated in 0 structures by 0.00 A. Peak 2987 from cnoeabs.peaks (3.81, 3.81, 59.95 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 68 + HA LYS 68 OK 100 100 - 100 HA ARG 19 + HA ARG 19 OK 100 100 - 100 Peak 2988 from cnoeabs.peaks (1.84, 3.81, 59.95 ppm; 3.03 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 68 + HA LYS 68 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LYS 68 + HA LYS 68 OK 71 71 100 100 2.9-3.0 3.0=100 HB VAL 5 - HA ARG 19 far 0 87 0 - 5.0-6.0 HB3 LYS 90 - HA ARG 19 far 0 100 0 - 6.8-9.0 HB ILE 93 - HA ARG 19 far 0 67 0 - 6.8-8.2 HB2 LYS 90 - HA ARG 19 far 0 83 0 - 6.9-10.2 HB3 LYS 66 - HA LYS 68 far 0 88 0 - 7.2-7.5 HB3 LEU 57 - HA ARG 19 far 0 96 0 - 7.8-9.5 HB2 LEU 42 - HA LYS 68 far 0 75 0 - 8.4-9.6 HB2 GLU 104 - HA LYS 68 far 0 79 0 - 8.5-18.6 HB3 LYS 39 - HA LYS 68 far 0 87 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 2989 from cnoeabs.peaks (1.87, 3.81, 59.95 ppm; 2.98 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LYS 68 + HA LYS 68 OK 100 100 100 100 2.9-3.0 3.0=99, 2.9/3033=37...(45) HB2 ARG 19 + HA ARG 19 OK 90 90 100 100 2.4-3.0 3.0=97, 3.0/782=36...(26) HB2 LYS 68 + HA LYS 68 OK 71 71 100 100 2.2-2.8 3.0=99, 2.9/3033=37...(41) HB VAL 5 - HA ARG 19 far 0 98 0 - 5.0-6.0 HB2 LYS 20 - HA ARG 19 far 0 93 0 - 5.9-6.5 HB3 LYS 90 - HA ARG 19 far 0 62 0 - 6.8-9.0 HB VAL 54 - HA LYS 68 far 0 97 0 - 7.1-9.2 HB3 LYS 66 - HA LYS 68 far 0 99 0 - 7.2-7.5 HG LEU 42 - HA LYS 68 far 0 85 0 - 7.7-9.1 HB3 LYS 39 - HA LYS 68 far 0 99 0 - 8.8-11.3 HB ILE 8 - HA LYS 68 far 0 87 0 - 9.2-10.7 HB3 LEU 14 - HA ARG 19 far 0 74 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 2990 from cnoeabs.peaks (1.64, 3.81, 59.95 ppm; 3.49 A): 3 out of 14 assignments used, quality = 1.00: * HG2 LYS 68 + HA LYS 68 OK 100 100 100 100 2.4-3.9 4.0=68, 1.8/3033=66...(48) HD3 LYS 68 + HA LYS 68 OK 99 99 100 100 2.7-4.6 3.0/3033=50, 5.3=28...(71) HD2 LYS 68 + HA LYS 68 OK 59 99 60 100 2.1-5.3 3.0/3033=50, 5.3=28...(72) HG3 LYS 20 - HA ARG 19 far 0 72 0 - 5.4-6.8 HD2 LYS 20 - HA ARG 19 far 0 67 0 - 5.5-7.6 HD3 LYS 20 - HA ARG 19 far 0 72 0 - 6.6-7.9 HB3 ARG 79 - HA LYS 68 far 0 98 0 - 6.9-9.0 HB2 ARG 30 - HA ARG 19 far 0 58 0 - 7.5-8.6 HB ILE 76 - HA LYS 68 far 0 100 0 - 7.6-8.7 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 8.1-10.0 HD2 LYS 73 - HA LYS 68 far 0 85 0 - 8.8-10.7 HD3 LYS 73 - HA LYS 68 far 0 88 0 - 9.0-11.2 HB3 LEU 6 - HA ARG 19 far 0 99 0 - 9.0-10.2 HD2 LYS 39 - HA LYS 68 far 0 98 0 - 9.6-12.6 Violated in 3 structures by 0.00 A. Peak 2991 from cnoeabs.peaks (1.35, 3.81, 59.95 ppm; 3.29 A): 2 out of 11 assignments used, quality = 1.00: * HG3 LYS 68 + HA LYS 68 OK 100 100 100 100 2.0-3.6 3033=69, 7110/2.9=28...(43) QB ALA 67 + HA LYS 68 OK 92 98 100 94 3.7-3.9 2985/2.9=49, 4.9=30...(18) HB2 LEU 70 - HA LYS 68 far 0 92 0 - 5.1-5.9 QB ALA 89 - HA ARG 19 far 0 98 0 - 6.3-7.5 QB ALA 25 - HA ARG 19 far 0 98 0 - 7.2-8.1 HB3 LEU 27 - HA ARG 19 far 0 99 0 - 7.3-8.8 HB3 ARG 30 - HA ARG 19 far 0 89 0 - 7.4-8.5 HG LEU 14 - HA ARG 19 far 0 100 0 - 7.7-9.1 HG12 ILE 8 - HA LYS 68 far 0 97 0 - 8.6-10.9 HB2 LYS 82 - HA LYS 68 far 0 100 0 - 8.8-10.6 HG2 LYS 39 - HA LYS 68 far 0 100 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 2992 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.49 A): 3 out of 13 assignments used, quality = 1.00: HD3 LYS 68 + HA LYS 68 OK 100 100 100 100 2.7-4.6 3.0/3033=50, 3055=28...(71) HG2 LYS 68 + HA LYS 68 OK 99 99 100 100 2.4-3.9 4.0=68, 1.8/3033=66...(47) * HD2 LYS 68 + HA LYS 68 OK 60 100 60 100 2.1-5.3 3.0/3033=50, 3044=28...(71) HG3 LYS 20 - HA ARG 19 far 0 89 0 - 5.4-6.8 HD2 LYS 20 - HA ARG 19 far 0 84 0 - 5.5-7.6 HD3 LYS 20 - HA ARG 19 far 0 89 0 - 6.6-7.9 HB3 ARG 79 - HA LYS 68 far 0 100 0 - 6.9-9.0 HB ILE 76 - HA LYS 68 far 0 99 0 - 7.6-8.7 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 8.1-10.0 HD2 LYS 73 - HA LYS 68 far 0 96 0 - 8.8-10.7 HD3 LYS 73 - HA LYS 68 far 0 98 0 - 9.0-11.2 HB3 LEU 6 - HA ARG 19 far 0 100 0 - 9.0-10.2 HD2 LYS 39 - HA LYS 68 far 0 100 0 - 9.6-12.6 Violated in 3 structures by 0.00 A. Peak 2993 from cnoeabs.peaks (1.65, 3.81, 59.95 ppm; 3.49 A): 3 out of 13 assignments used, quality = 1.00: * HD3 LYS 68 + HA LYS 68 OK 100 100 100 100 2.7-4.6 3.0/3033=50, 3055=28...(71) HG2 LYS 68 + HA LYS 68 OK 99 99 100 100 2.4-3.9 4.0=68, 1.8/3033=66...(47) HD2 LYS 68 + HA LYS 68 OK 60 100 60 100 2.1-5.3 3.0/3033=50, 3044=28...(72) HG3 LYS 20 - HA ARG 19 far 0 87 0 - 5.4-6.8 HD2 LYS 20 - HA ARG 19 far 0 83 0 - 5.5-7.6 HD3 LYS 20 - HA ARG 19 far 0 87 0 - 6.6-7.9 HB3 ARG 79 - HA LYS 68 far 0 100 0 - 6.9-9.0 HB ILE 76 - HA LYS 68 far 0 100 0 - 7.6-8.7 HB3 LEU 6 - HA LYS 68 far 0 100 0 - 8.1-10.0 HD2 LYS 73 - HA LYS 68 far 0 96 0 - 8.8-10.7 HD3 LYS 73 - HA LYS 68 far 0 97 0 - 9.0-11.2 HB3 LEU 6 - HA ARG 19 far 0 100 0 - 9.0-10.2 HD2 LYS 39 - HA LYS 68 far 0 100 0 - 9.6-12.6 Violated in 3 structures by 0.00 A. Peak 2994 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 5.70 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 68 + HA LYS 68 OK 100 100 100 100 4.7-6.1 3.6/3033=92, 6.3=76...(61) HE3 LYS 68 + HA LYS 68 OK 100 100 100 100 3.9-5.7 3.6/3033=92, 6.3=76...(63) HE3 LYS 20 + HA ARG 19 OK 44 100 55 79 4.4-8.2 6313/3.6=40...(21) HE2 LYS 20 + HA ARG 19 OK 42 100 55 77 4.9-8.6 6313/3.6=40...(19) HG2 MET 21 - HA ARG 19 poor 15 76 20 - 5.6-7.8 HE3 LYS 66 - HA LYS 68 far 0 99 0 - 8.0-9.9 HE2 LYS 66 - HA LYS 68 far 0 96 0 - 8.4-10.8 HE3 LYS 90 - HA ARG 19 far 0 83 0 - 8.9-12.2 HE3 LYS 73 - HA LYS 68 far 0 65 0 - 9.2-10.8 HE2 LYS 39 - HA LYS 68 far 0 59 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 2995 from cnoeabs.peaks (2.91, 3.81, 59.95 ppm; 5.70 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 68 + HA LYS 68 OK 100 100 100 100 3.9-5.7 3.6/3033=92, 6.3=76...(63) HE2 LYS 68 + HA LYS 68 OK 100 100 100 100 4.7-6.1 3.6/3033=92, 6.3=76...(61) HE3 LYS 20 + HA ARG 19 OK 43 99 55 79 4.4-8.2 6313/3.6=40...(21) HE2 LYS 20 + HA ARG 19 OK 42 100 55 77 4.9-8.6 6313/3.6=40...(19) HG2 MET 21 - HA ARG 19 poor 14 72 20 - 5.6-7.8 HE3 LYS 66 - HA LYS 68 far 0 100 0 - 8.0-9.9 HE2 LYS 66 - HA LYS 68 far 0 98 0 - 8.4-10.8 HE3 LYS 90 - HA ARG 19 far 0 80 0 - 8.9-12.2 HE3 LYS 73 - HA LYS 68 far 0 61 0 - 9.2-10.8 HE2 LYS 39 - HA LYS 68 far 0 63 0 - 9.8-14.3 Violated in 0 structures by 0.00 A. Peak 2996 from cnoeabs.peaks (7.90, 3.81, 59.95 ppm; 3.81 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + HA LYS 68 OK 100 100 100 100 3.5-3.6 3.6=100 H GLN 72 + HA LYS 68 OK 83 100 100 84 4.2-5.1 7168/12163=27...(12) H ASP 65 - HA LYS 68 far 0 94 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 2997 from cnoeabs.peaks (4.31, 1.84, 32.18 ppm; 3.97 A): 2 out of 3 assignments used, quality = 1.00: * HA ASP 65 + HB2 LYS 68 OK 100 100 100 100 2.9-4.1 2856=59, 7100/4.0=47...(26) HA ASP 36 + HB3 LYS 39 OK 38 57 70 96 4.2-6.2 10537/1.8=53...(16) HA LEU 103 - HB2 LYS 68 far 0 98 0 - 7.2-19.7 Violated in 0 structures by 0.00 A. Peak 2998 from cnoeabs.peaks (8.19, 1.84, 32.18 ppm; 3.51 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.6-3.4 4.0=66, 7108/1.8=51...(27) H GLU 43 + HB3 LYS 39 OK 22 72 55 56 4.6-5.7 6681/3.0=37, 6697/4.6=14...(6) H HIS 106 - HB2 LYS 68 far 0 73 0 - 6.4-20.4 H ASP 36 - HB3 LYS 39 far 0 73 0 - 6.4-8.1 H GLU 104 - HB2 LYS 68 far 0 77 0 - 6.8-18.6 H LYS 68 - HB3 LYS 39 far 0 73 0 - 8.8-11.4 H PHE 96 - HB3 LYS 90 far 0 80 0 - 8.8-10.1 H PHE 96 - HB2 LYS 90 far 0 48 0 - 9.1-10.5 H SER 97 - HB3 LYS 90 far 0 74 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 2999 from cnoeabs.peaks (3.81, 1.84, 32.18 ppm; 3.46 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.2-2.8 3.0=100 HA ALA 18 + HB3 LYS 90 OK 28 74 100 39 2.4-4.6 ~6262=7, ~8488=6...(11) HA ALA 18 - HB2 LYS 90 poor 13 43 80 36 2.1-5.5 ~6262=7, ~8488=6...(10) HA ALA 22 - HB3 LYS 90 far 0 87 0 - 6.8-8.2 HA ARG 19 - HB3 LYS 90 far 0 98 0 - 6.8-9.0 HA ARG 19 - HB2 LYS 90 far 0 65 0 - 6.9-10.2 HA ALA 22 - HB2 LYS 90 far 0 54 0 - 7.8-9.7 HA LYS 68 - HB3 LYS 39 far 0 73 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 3000 from cnoeabs.peaks (1.84, 1.84, 32.18 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 68 + HB2 LYS 68 OK 100 100 - 100 HB3 LYS 90 + HB3 LYS 90 OK 98 98 - 100 HB3 LYS 39 + HB3 LYS 39 OK 57 57 - 100 HB2 LYS 90 + HB2 LYS 90 OK 48 48 - 100 HB2 LYS 12 + HB2 LYS 12 OK 42 42 - 100 HB3 LYS 12 + HB3 LYS 12 OK 36 36 - 100 Peak 3001 from cnoeabs.peaks (1.87, 1.84, 32.18 ppm; diagonal): 5 out of 5 assignments used, quality = 0.99: HB2 LYS 68 + HB2 LYS 68 OK 71 71 - 100 HB3 LYS 39 + HB3 LYS 39 OK 71 71 - 100 HB3 LYS 90 + HB3 LYS 90 OK 60 60 - 100 HB2 LYS 12 + HB2 LYS 12 OK 56 56 - 100 HB3 LYS 12 + HB3 LYS 12 OK 52 52 - 100 Reference assignment not found: HB3 LYS 68 - HB2 LYS 68 Peak 3002 from cnoeabs.peaks (1.64, 1.84, 32.18 ppm; 2.85 A): 5 out of 29 assignments used, quality = 1.00: * HG2 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.3-3.0 2.9=98, 3021/4.0=22...(36) HD3 LYS 68 + HB2 LYS 68 OK 97 99 100 98 2.1-3.7 3.5=54, 2990/3.0=14...(67) HD2 LYS 68 + HB2 LYS 68 OK 97 99 100 98 2.0-3.8 3.5=54, 1.8/3045=13...(66) HD3 LYS 39 + HB3 LYS 39 OK 72 73 100 98 2.3-3.6 3.6=50, 1737/1.8=25...(46) HD2 LYS 39 + HB3 LYS 39 OK 68 69 100 98 2.4-4.1 3.6=50, 1726/1.8=25...(44) HD2 LYS 94 - HB2 LYS 90 poor 11 57 20 - 3.7-10.3 HG3 LYS 20 - HB3 LYS 90 far 3 70 5 - 4.3-8.7 HD2 LYS 94 - HB3 LYS 90 lone 3 91 30 13 3.8-8.8 12322/3.0=4, ~3916=4 HG3 LYS 20 - HB2 LYS 90 far 0 41 0 - 4.8-8.2 HB2 LYS 40 - HB3 LYS 39 far 0 73 0 - 4.9-6.1 HD2 LYS 20 - HB2 LYS 90 far 0 37 0 - 5.3-9.6 HD2 LYS 20 - HB3 LYS 90 far 0 64 0 - 5.3-8.5 HD3 LYS 20 - HB2 LYS 90 far 0 41 0 - 5.4-10.0 HD2 LYS 73 - HB3 LYS 39 far 0 56 0 - 5.4-8.3 HD3 LYS 20 - HB3 LYS 90 far 0 70 0 - 5.7-8.9 HD3 LYS 73 - HB3 LYS 39 far 0 58 0 - 5.9-8.3 HB3 ARG 79 - HB2 LYS 68 far 0 98 0 - 6.3-11.1 HB ILE 76 - HB3 LYS 39 far 0 73 0 - 7.5-9.2 HD2 LYS 20 - HB2 LYS 12 far 0 32 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 35 0 - 8.7-13.0 HB3 LEU 6 - HB2 LYS 68 far 0 100 0 - 9.0-12.3 HD3 LYS 47 - HB3 LYS 39 far 0 36 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 38 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 62 0 - 9.2-14.1 HD2 LYS 20 - HB3 LYS 12 far 0 29 0 - 9.3-12.8 HB ILE 76 - HB2 LYS 68 far 0 100 0 - 9.4-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 85 0 - 9.4-12.1 HD3 LYS 20 - HB3 LYS 12 far 0 32 0 - 9.5-13.8 HG3 LYS 20 - HB2 LYS 12 far 0 35 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3003 from cnoeabs.peaks (1.35, 1.84, 32.18 ppm; 3.44 A): 6 out of 23 assignments used, quality = 1.00: * HG3 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 73 73 100 100 2.2-3.0 3.0=100 QB ALA 67 + HB2 LYS 68 OK 66 98 80 84 4.2-5.5 2985/4.0=38, 2991/3.0=27...(12) QB ALA 89 + HB2 LYS 90 OK 47 63 95 79 3.6-5.1 3910/4.1=39...(12) QB ALA 89 + HB3 LYS 90 OK 33 97 45 76 4.2-5.1 3910/4.1=39...(10) HB2 LEU 70 + HB3 LYS 39 OK 30 62 60 81 3.3-6.1 1670/3.0=21, ~10822=17...(21) HG LEU 14 - HB2 LYS 90 far 0 66 0 - 5.0-7.4 HG3 LYS 94 - HB3 LYS 90 far 0 70 0 - 5.2-7.9 HG3 LYS 94 - HB2 LYS 90 far 0 41 0 - 5.4-9.4 HG LEU 14 - HB3 LYS 90 far 0 99 0 - 5.8-8.0 HG2 LYS 94 - HB3 LYS 90 far 0 97 0 - 6.1-9.2 QB ALA 67 - HB3 LYS 39 far 0 69 0 - 6.2-8.5 HG3 LYS 40 - HB3 LYS 39 far 0 70 0 - 6.2-8.3 HG2 LYS 94 - HB2 LYS 90 far 0 63 0 - 6.3-10.6 QB ALA 25 - HB3 LYS 90 far 0 97 0 - 6.4-8.1 HB2 LYS 82 - HB2 LYS 68 far 0 100 0 - 7.1-9.9 HB2 LEU 70 - HB2 LYS 68 far 0 92 0 - 7.2-7.7 QB ALA 25 - HB2 LYS 90 far 0 63 0 - 7.6-9.0 HG LEU 14 - HB2 LYS 12 far 0 57 0 - 8.5-9.4 HG12 ILE 8 - HB2 LYS 68 far 0 97 0 - 8.7-12.7 HG LEU 14 - HB3 LYS 12 far 0 53 0 - 8.9-9.4 QB ALA 89 - HB2 LYS 12 far 0 55 0 - 9.2-10.4 QB ALA 89 - HB3 LYS 12 far 0 50 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3004 from cnoeabs.peaks (1.65, 1.84, 32.18 ppm; 2.85 A): 5 out of 32 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 99 99 100 100 2.3-3.0 2.9=98, 3021/4.0=22...(37) * HD2 LYS 68 + HB2 LYS 68 OK 98 100 100 98 2.0-3.8 3.5=54, 3044/3.0=13...(66) HD3 LYS 68 + HB2 LYS 68 OK 98 100 100 98 2.1-3.7 3.5=54, 2992/3.0=14...(67) HD2 LYS 39 + HB3 LYS 39 OK 72 73 100 98 2.4-4.1 3.6=50, 1726/1.8=26...(44) HD3 LYS 39 + HB3 LYS 39 OK 68 70 100 98 2.3-3.6 3.6=50, 1737/1.8=25...(46) HD2 LYS 94 - HB2 LYS 90 poor 9 46 20 - 3.7-10.3 HG3 LYS 20 - HB3 LYS 90 far 4 86 5 - 4.3-8.7 HD2 LYS 94 - HB3 LYS 90 lone 3 77 30 12 3.8-8.8 12322/3.0=4, ~3916=4 HG3 LYS 20 - HB2 LYS 90 far 0 53 0 - 4.8-8.2 HB2 LYS 40 - HB3 LYS 39 far 0 72 0 - 4.9-6.1 HD2 LYS 20 - HB2 LYS 90 far 0 49 0 - 5.3-9.6 HD2 LYS 20 - HB3 LYS 90 far 0 82 0 - 5.3-8.5 HD3 LYS 20 - HB2 LYS 90 far 0 53 0 - 5.4-10.0 HD2 LYS 73 - HB3 LYS 39 far 0 67 0 - 5.4-8.3 HB3 ARG 91 - HB2 LYS 90 far 0 43 0 - 5.5-7.4 HD3 LYS 20 - HB3 LYS 90 far 0 86 0 - 5.7-8.9 HD3 LYS 73 - HB3 LYS 39 far 0 68 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 48 0 - 5.9-6.8 HB3 ARG 91 - HB3 LYS 90 far 0 74 0 - 6.2-7.3 HB3 ARG 79 - HB2 LYS 68 far 0 100 0 - 6.3-11.1 HB ILE 76 - HB3 LYS 39 far 0 71 0 - 7.5-9.2 HD2 LYS 20 - HB2 LYS 12 far 0 43 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 46 0 - 8.7-13.0 HB3 LEU 6 - HB2 LYS 68 far 0 100 0 - 9.0-12.3 HD3 LYS 47 - HB3 LYS 39 far 0 51 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 52 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 49 0 - 9.2-14.1 HD2 LYS 20 - HB3 LYS 12 far 0 39 0 - 9.3-12.8 HB ILE 76 - HB2 LYS 68 far 0 99 0 - 9.4-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 96 0 - 9.4-12.1 HD3 LYS 20 - HB3 LYS 12 far 0 42 0 - 9.5-13.8 HG3 LYS 20 - HB2 LYS 12 far 0 46 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3005 from cnoeabs.peaks (1.65, 1.84, 32.18 ppm; 2.85 A): 5 out of 32 assignments used, quality = 1.00: HG2 LYS 68 + HB2 LYS 68 OK 99 99 100 100 2.3-3.0 2.9=98, 3021/4.0=22...(37) HD2 LYS 68 + HB2 LYS 68 OK 98 100 100 98 2.0-3.8 3.5=54, 3044/3.0=13...(66) * HD3 LYS 68 + HB2 LYS 68 OK 98 100 100 98 2.1-3.7 3.5=54, 2992/3.0=14...(67) HD2 LYS 39 + HB3 LYS 39 OK 72 73 100 98 2.4-4.1 3.6=50, 1726/1.8=26...(44) HD3 LYS 39 + HB3 LYS 39 OK 69 70 100 98 2.3-3.6 3.6=50, 1737/1.8=25...(46) HD2 LYS 94 - HB2 LYS 90 poor 9 47 20 - 3.7-10.3 HG3 LYS 20 - HB3 LYS 90 far 4 85 5 - 4.3-8.7 HD2 LYS 94 - HB3 LYS 90 lone 3 79 30 12 3.8-8.8 12322/3.0=4, ~3916=4 HG3 LYS 20 - HB2 LYS 90 far 0 52 0 - 4.8-8.2 HB2 LYS 40 - HB3 LYS 39 far 0 73 0 - 4.9-6.1 HD2 LYS 20 - HB2 LYS 90 far 0 48 0 - 5.3-9.6 HD2 LYS 20 - HB3 LYS 90 far 0 80 0 - 5.3-8.5 HD3 LYS 20 - HB2 LYS 90 far 0 52 0 - 5.4-10.0 HD2 LYS 73 - HB3 LYS 39 far 0 66 0 - 5.4-8.3 HB3 ARG 91 - HB2 LYS 90 far 0 42 0 - 5.5-7.4 HD3 LYS 20 - HB3 LYS 90 far 0 85 0 - 5.7-8.9 HD3 LYS 73 - HB3 LYS 39 far 0 68 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 46 0 - 5.9-6.8 HB3 ARG 91 - HB3 LYS 90 far 0 72 0 - 6.2-7.3 HB3 ARG 79 - HB2 LYS 68 far 0 100 0 - 6.3-11.1 HB ILE 76 - HB3 LYS 39 far 0 72 0 - 7.5-9.2 HD2 LYS 20 - HB2 LYS 12 far 0 42 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 45 0 - 8.7-13.0 HB3 LEU 6 - HB2 LYS 68 far 0 100 0 - 9.0-12.3 HD3 LYS 47 - HB3 LYS 39 far 0 49 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 51 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 51 0 - 9.2-14.1 HD2 LYS 20 - HB3 LYS 12 far 0 38 0 - 9.3-12.8 HB ILE 76 - HB2 LYS 68 far 0 100 0 - 9.4-11.1 HD2 LYS 73 - HB2 LYS 68 far 0 96 0 - 9.4-12.1 HD3 LYS 20 - HB3 LYS 12 far 0 41 0 - 9.5-13.8 HG3 LYS 20 - HB2 LYS 12 far 0 45 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3006 from cnoeabs.peaks (2.91, 1.84, 32.18 ppm; 3.80 A): 8 out of 27 assignments used, quality = 1.00: * HE2 LYS 68 + HB2 LYS 68 OK 100 100 100 100 3.1-4.5 5.0=44, 3.0/3004=17...(88) HE3 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.6-4.3 5.0=44, 3.0/3004=17...(88) HE3 LYS 90 + HB3 LYS 90 OK 80 80 100 100 3.6-4.8 4.8=48, 4005/2.8=48...(39) HG2 MET 21 + HB3 LYS 90 OK 72 74 100 97 1.7-4.3 3920/3.0=38, ~8549=21...(31) HE3 LYS 90 + HB2 LYS 90 OK 48 48 100 100 3.8-4.4 4.8=48, 4005/2.8=48...(45) HE3 LYS 39 + HB3 LYS 39 OK 45 45 100 99 3.1-5.0 4.9=46, ~1686=20...(43) HG2 MET 21 + HB2 LYS 90 OK 40 43 95 97 1.8-5.5 3920/3.0=38, ~8549=21...(30) HE2 LYS 39 + HB3 LYS 39 OK 36 36 100 99 3.2-4.7 4.9=46, ~1686=20...(43) HE3 LYS 94 - HB3 LYS 90 far 15 99 15 - 4.9-8.0 HE2 LYS 94 - HB2 LYS 90 poor 13 63 20 - 4.3-9.3 HE2 LYS 94 - HB3 LYS 90 lone 4 97 25 18 4.7-8.2 ~3916=5, ~12322=4...(5) HE3 LYS 94 - HB2 LYS 90 far 3 66 5 - 5.3-9.7 HE3 LYS 73 - HB3 LYS 39 far 0 41 0 - 5.3-9.9 HE2 LYS 20 - HB3 LYS 90 far 0 99 0 - 6.1-10.1 HE2 LYS 20 - HB2 LYS 90 far 0 66 0 - 6.2-11.4 HE3 LYS 20 - HB2 LYS 90 far 0 65 0 - 6.3-10.5 HE3 LYS 66 - HB3 LYS 39 far 0 71 0 - 6.5-12.1 HE3 LYS 20 - HB3 LYS 90 far 0 98 0 - 6.8-9.1 HB2 ASN 10 - HB3 LYS 12 far 0 45 0 - 7.0-8.8 HE3 LYS 66 - HB2 LYS 68 far 0 99 0 - 7.2-10.6 HE2 LYS 66 - HB3 LYS 39 far 0 67 0 - 7.6-13.5 HB2 ASN 10 - HB2 LYS 12 far 0 50 0 - 8.0-9.4 HE3 LYS 20 - HB2 LYS 12 far 0 57 0 - 8.1-12.2 HE2 LYS 66 - HB2 LYS 68 far 0 96 0 - 8.3-10.7 HE3 LYS 73 - HB2 LYS 68 far 0 65 0 - 8.8-12.2 HE3 LYS 20 - HB3 LYS 12 far 0 52 0 - 9.1-13.0 HE2 LYS 20 - HB2 LYS 12 far 0 57 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 3007 from cnoeabs.peaks (2.91, 1.84, 32.18 ppm; 3.80 A): 8 out of 27 assignments used, quality = 1.00: * HE3 LYS 68 + HB2 LYS 68 OK 100 100 100 100 2.6-4.3 5.0=44, 3.0/3004=17...(88) HE2 LYS 68 + HB2 LYS 68 OK 100 100 100 100 3.1-4.5 5.0=44, 3.0/3004=17...(88) HE3 LYS 90 + HB3 LYS 90 OK 77 77 100 100 3.6-4.8 4.8=48, 4005/2.8=46...(39) HG2 MET 21 + HB3 LYS 90 OK 68 70 100 97 1.7-4.3 3920/3.0=35, ~8549=21...(31) HE3 LYS 39 + HB3 LYS 39 OK 48 48 100 99 3.1-5.0 4.9=46, ~1686=20...(43) HE3 LYS 90 + HB2 LYS 90 OK 46 46 100 100 3.8-4.4 4.8=48, 4005/2.8=46...(45) HE2 LYS 39 + HB3 LYS 39 OK 39 39 100 99 3.2-4.7 4.9=46, ~1686=20...(43) HG2 MET 21 + HB2 LYS 90 OK 37 41 95 96 1.8-5.5 3920/3.0=35, ~8549=21...(30) HE3 LYS 94 - HB3 LYS 90 far 15 98 15 - 4.9-8.0 HE2 LYS 94 - HB2 LYS 90 poor 12 62 20 - 4.3-9.3 HE2 LYS 94 - HB3 LYS 90 lone 4 96 25 18 4.7-8.2 ~3916=5, ~12322=4...(5) HE3 LYS 94 - HB2 LYS 90 far 3 65 5 - 5.3-9.7 HE3 LYS 73 - HB3 LYS 39 far 0 38 0 - 5.3-9.9 HE2 LYS 20 - HB3 LYS 90 far 0 98 0 - 6.1-10.1 HE2 LYS 20 - HB2 LYS 90 far 0 65 0 - 6.2-11.4 HE3 LYS 20 - HB2 LYS 90 far 0 65 0 - 6.3-10.5 HE3 LYS 66 - HB3 LYS 39 far 0 72 0 - 6.5-12.1 HE3 LYS 20 - HB3 LYS 90 far 0 98 0 - 6.8-9.1 HB2 ASN 10 - HB3 LYS 12 far 0 44 0 - 7.0-8.8 HE3 LYS 66 - HB2 LYS 68 far 0 100 0 - 7.2-10.6 HE2 LYS 66 - HB3 LYS 39 far 0 68 0 - 7.6-13.5 HB2 ASN 10 - HB2 LYS 12 far 0 48 0 - 8.0-9.4 HE3 LYS 20 - HB2 LYS 12 far 0 57 0 - 8.1-12.2 HE2 LYS 66 - HB2 LYS 68 far 0 98 0 - 8.3-10.7 HE3 LYS 73 - HB2 LYS 68 far 0 61 0 - 8.8-12.2 HE3 LYS 20 - HB3 LYS 12 far 0 52 0 - 9.1-13.0 HE2 LYS 20 - HB2 LYS 12 far 0 57 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 3008 from cnoeabs.peaks (7.90, 1.84, 32.18 ppm; 3.81 A): 2 out of 5 assignments used, quality = 0.99: * H GLU 69 + HB2 LYS 68 OK 99 100 100 99 3.1-4.1 7124=58, 7125/1.8=52...(24) H ASP 65 + HB2 LYS 68 OK 27 94 30 97 5.0-6.2 3.0/2997=40...(26) H GLN 72 - HB2 LYS 68 far 0 100 0 - 5.7-7.0 H GLN 72 - HB3 LYS 39 far 0 72 0 - 6.7-8.9 H GLU 69 - HB3 LYS 39 far 0 73 0 - 8.0-11.0 Violated in 13 structures by 0.08 A. Peak 3009 from cnoeabs.peaks (4.31, 1.87, 32.18 ppm; 3.72 A): 2 out of 4 assignments used, quality = 1.00: * HA ASP 65 + HB3 LYS 68 OK 99 100 100 99 2.0-2.4 2857=53, 2856/1.8=47...(28) HA ASP 36 + HB3 LYS 39 OK 43 83 55 94 4.2-6.2 10537/1.8=49...(16) HA LEU 103 - HB3 LYS 68 far 0 98 0 - 8.8-21.3 HA GLU 28 - HB2 LYS 20 far 0 86 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 3010 from cnoeabs.peaks (8.19, 1.87, 32.18 ppm; 3.56 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.1-2.5 4.0=69, 7107/1.8=51...(33) H GLU 43 + HB3 LYS 39 OK 41 97 60 70 4.6-5.7 6681/3.0=38, 6697/4.6=14...(10) H ASP 36 - HB3 LYS 39 far 0 98 0 - 6.4-8.1 H HIS 106 - HB3 LYS 68 far 0 73 0 - 7.1-21.6 H GLU 104 - HB3 LYS 68 far 0 77 0 - 8.0-20.2 H LYS 68 - HB3 LYS 39 far 0 98 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 3011 from cnoeabs.peaks (3.81, 1.87, 32.18 ppm; 3.31 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.9-3.0 3.0=100 HA ALA 18 - HB2 LYS 20 far 0 60 0 - 5.6-7.3 HA ARG 19 - HB2 LYS 20 far 0 86 0 - 5.9-6.5 HA ALA 22 - HB2 LYS 20 far 0 73 0 - 7.7-8.7 HA LYS 68 - HB3 LYS 39 far 0 98 0 - 8.8-11.3 Violated in 0 structures by 0.00 A. Peak 3012 from cnoeabs.peaks (1.84, 1.87, 32.18 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 LYS 39 + HB3 LYS 39 OK 83 83 - 100 HB3 LYS 68 + HB3 LYS 68 OK 71 71 - 100 HB2 LYS 12 + HB2 LYS 12 OK 70 70 - 100 HB3 LYS 12 + HB3 LYS 12 OK 68 68 - 100 Reference assignment not found: HB2 LYS 68 - HB3 LYS 68 Peak 3013 from cnoeabs.peaks (1.87, 1.87, 32.18 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 68 + HB3 LYS 68 OK 100 100 - 100 HB3 LYS 39 + HB3 LYS 39 OK 96 96 - 100 HB3 LYS 12 + HB3 LYS 12 OK 90 90 - 100 HB2 LYS 12 + HB2 LYS 12 OK 88 88 - 100 HB2 LYS 20 + HB2 LYS 20 OK 77 77 - 100 Peak 3014 from cnoeabs.peaks (1.64, 1.87, 32.18 ppm; 2.69 A): 8 out of 25 assignments used, quality = 1.00: * HG2 LYS 68 + HB3 LYS 68 OK 97 100 100 97 2.2-3.0 2.9=83, 3021/4.0=19...(36) HD3 LYS 68 + HB3 LYS 68 OK 95 99 100 96 2.2-4.2 3.5=46, 2990/3.0=12...(65) HD2 LYS 68 + HB3 LYS 68 OK 95 99 100 96 2.9-4.1 3.5=46, 3056/1.8=11...(64) HD3 LYS 39 + HB3 LYS 39 OK 94 98 100 96 2.3-3.6 3.6=42, 1737/1.8=23...(46) HD2 LYS 39 + HB3 LYS 39 OK 92 95 100 97 2.4-4.1 3.6=42, 1726/1.8=22...(44) HG3 LYS 20 + HB2 LYS 20 OK 53 57 100 94 2.8-3.0 3.0=76, 893/4.0=13...(47) HD3 LYS 20 + HB2 LYS 20 OK 53 57 100 93 2.5-3.7 3.5=44, ~848=7...(72) HD2 LYS 20 + HB2 LYS 20 OK 48 52 100 92 2.4-3.6 3.5=44, ~848=7...(72) HB2 LYS 40 - HB3 LYS 39 far 0 98 0 - 4.9-6.1 HD2 LYS 73 - HB3 LYS 39 far 0 81 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 84 0 - 5.9-8.3 HB ILE 76 - HB3 LYS 39 far 0 98 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 98 0 - 8.1-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 55 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 60 0 - 8.7-13.0 HD2 LYS 94 - HB2 LYS 20 far 0 77 0 - 9.0-12.1 HD3 LYS 47 - HB3 LYS 39 far 0 56 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 58 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 88 0 - 9.2-14.1 HD3 LYS 73 - HB3 LYS 68 far 0 88 0 - 9.3-12.4 HD2 LYS 20 - HB3 LYS 12 far 0 56 0 - 9.3-12.8 HD3 LYS 20 - HB3 LYS 12 far 0 61 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 85 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 100 0 - 9.6-11.4 HG3 LYS 20 - HB2 LYS 12 far 0 60 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3015 from cnoeabs.peaks (1.35, 1.87, 32.18 ppm; 3.28 A): 4 out of 16 assignments used, quality = 1.00: * HG3 LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 98 98 100 100 2.2-3.0 3.0=100 QB ALA 67 + HB3 LYS 68 OK 71 98 85 85 4.2-4.8 2985/4.0=35, 2991/3.0=24...(18) HB2 LEU 70 + HB3 LYS 39 OK 42 88 60 79 3.3-6.1 1670/3.0=19, ~10822=14...(22) QB ALA 67 - HB3 LYS 39 far 0 95 0 - 6.2-8.5 HG3 LYS 40 - HB3 LYS 39 far 0 96 0 - 6.2-8.3 HB2 LEU 70 - HB3 LYS 68 far 0 92 0 - 6.7-7.5 HB2 LYS 82 - HB3 LYS 68 far 0 100 0 - 6.9-8.9 QB ALA 25 - HB2 LYS 20 far 0 83 0 - 7.8-8.9 QB ALA 89 - HB2 LYS 20 far 0 83 0 - 8.4-9.7 HG LEU 14 - HB2 LYS 12 far 0 90 0 - 8.5-9.4 HG12 ILE 8 - HB3 LYS 68 far 0 97 0 - 8.6-11.2 HG LEU 14 - HB3 LYS 12 far 0 91 0 - 8.9-9.4 QB ALA 89 - HB2 LYS 12 far 0 87 0 - 9.2-10.4 QB ALA 89 - HB3 LYS 12 far 0 88 0 - 9.4-10.7 HG LEU 14 - HB2 LYS 20 far 0 86 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 3016 from cnoeabs.peaks (1.65, 1.87, 32.18 ppm; 2.69 A): 8 out of 26 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 96 99 100 97 2.2-3.0 2.9=83, 3021/4.0=19...(37) HD3 LYS 68 + HB3 LYS 68 OK 96 100 100 96 2.2-4.2 3.5=46, 2992/3.0=12...(65) * HD2 LYS 68 + HB3 LYS 68 OK 96 100 100 96 2.9-4.1 3.5=46, 3045/1.8=12...(64) HD2 LYS 39 + HB3 LYS 39 OK 95 98 100 97 2.4-4.1 3.6=42, 1726/1.8=23...(44) HD3 LYS 39 + HB3 LYS 39 OK 92 95 100 96 2.3-3.6 3.6=42, 1737/1.8=22...(46) HG3 LYS 20 + HB2 LYS 20 OK 68 72 100 94 2.8-3.0 3.0=76, 893/4.0=17...(47) HD3 LYS 20 + HB2 LYS 20 OK 67 72 100 93 2.5-3.7 3.5=44, 6310/4.0=7...(72) HD2 LYS 20 + HB2 LYS 20 OK 63 68 100 93 2.4-3.6 3.5=44, 6310/4.0=7...(72) HB2 LYS 40 - HB3 LYS 39 far 0 97 0 - 4.9-6.1 HD2 LYS 73 - HB3 LYS 39 far 0 93 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 94 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 71 0 - 5.9-6.8 HB ILE 76 - HB3 LYS 39 far 0 97 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 100 0 - 8.1-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 71 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 75 0 - 8.7-13.0 HD2 LYS 94 - HB2 LYS 20 far 0 63 0 - 9.0-12.1 HD3 LYS 47 - HB3 LYS 39 far 0 75 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 76 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 73 0 - 9.2-14.1 HD3 LYS 73 - HB3 LYS 68 far 0 98 0 - 9.3-12.4 HD2 LYS 20 - HB3 LYS 12 far 0 72 0 - 9.3-12.8 HD3 LYS 20 - HB3 LYS 12 far 0 77 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 96 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 100 0 - 9.6-11.4 HG3 LYS 20 - HB2 LYS 12 far 0 75 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3017 from cnoeabs.peaks (1.65, 1.87, 32.18 ppm; 2.69 A): 8 out of 26 assignments used, quality = 1.00: HG2 LYS 68 + HB3 LYS 68 OK 97 99 100 97 2.2-3.0 2.9=83, 3021/4.0=19...(37) * HD3 LYS 68 + HB3 LYS 68 OK 96 100 100 96 2.2-4.2 3.5=46, 2992/3.0=12...(65) HD2 LYS 68 + HB3 LYS 68 OK 96 100 100 96 2.9-4.1 3.5=46, 3045/1.8=12...(64) HD2 LYS 39 + HB3 LYS 39 OK 95 98 100 97 2.4-4.1 3.6=42, 1726/1.8=23...(44) HD3 LYS 39 + HB3 LYS 39 OK 92 96 100 96 2.3-3.6 3.6=42, 1737/1.8=22...(46) HG3 LYS 20 + HB2 LYS 20 OK 66 71 100 94 2.8-3.0 3.0=76, 893/4.0=16...(47) HD3 LYS 20 + HB2 LYS 20 OK 66 71 100 93 2.5-3.7 3.5=44, ~848=7...(72) HD2 LYS 20 + HB2 LYS 20 OK 61 66 100 92 2.4-3.6 3.5=44, ~848=7...(72) HB2 LYS 40 - HB3 LYS 39 far 0 98 0 - 4.9-6.1 HD2 LYS 73 - HB3 LYS 39 far 0 92 0 - 5.4-8.3 HD3 LYS 73 - HB3 LYS 39 far 0 94 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 69 0 - 5.9-6.8 HB ILE 76 - HB3 LYS 39 far 0 97 0 - 7.5-9.2 HB3 ARG 79 - HB3 LYS 68 far 0 100 0 - 8.1-10.9 HD2 LYS 20 - HB2 LYS 12 far 0 70 0 - 8.6-12.2 HD3 LYS 20 - HB2 LYS 12 far 0 74 0 - 8.7-13.0 HD2 LYS 94 - HB2 LYS 20 far 0 65 0 - 9.0-12.1 HD3 LYS 47 - HB3 LYS 39 far 0 73 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 75 0 - 9.2-14.3 HG3 LYS 47 - HB3 LYS 39 far 0 75 0 - 9.2-14.1 HD3 LYS 73 - HB3 LYS 68 far 0 97 0 - 9.3-12.4 HD2 LYS 20 - HB3 LYS 12 far 0 71 0 - 9.3-12.8 HD3 LYS 20 - HB3 LYS 12 far 0 75 0 - 9.5-13.8 HD2 LYS 73 - HB3 LYS 68 far 0 96 0 - 9.5-11.6 HB3 LEU 6 - HB3 LYS 68 far 0 100 0 - 9.6-11.4 HG3 LYS 20 - HB2 LYS 12 far 0 74 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3018 from cnoeabs.peaks (2.91, 1.87, 32.18 ppm; 3.69 A): 6 out of 21 assignments used, quality = 1.00: * HE2 LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.9-5.0 5.0=40, 4267/2.9=14...(83) HE3 LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.8-4.4 5.0=40, 4267/2.9=14...(84) HE2 LYS 20 + HB2 LYS 20 OK 86 86 100 99 1.9-3.5 4.7=48, 6313/4.0=16...(100) HE3 LYS 20 + HB2 LYS 20 OK 86 86 100 99 1.9-3.6 4.7=48, 6313/4.0=16...(100) HE3 LYS 39 + HB3 LYS 39 OK 67 67 100 99 3.1-5.0 4.9=42, 1.8/1749=21...(43) HE2 LYS 39 + HB3 LYS 39 OK 55 56 100 99 3.2-4.7 4.9=42, 1.8/1749=21...(43) HE3 LYS 73 - HB3 LYS 39 far 0 61 0 - 5.3-9.9 HG2 MET 21 - HB2 LYS 20 far 0 60 0 - 5.8-8.4 HE3 LYS 66 - HB3 LYS 68 far 0 99 0 - 6.2-9.1 HE3 LYS 66 - HB3 LYS 39 far 0 96 0 - 6.5-12.1 HB2 ASN 10 - HB3 LYS 12 far 0 81 0 - 7.0-8.8 HE2 LYS 66 - HB3 LYS 68 far 0 96 0 - 7.4-9.2 HE2 LYS 66 - HB3 LYS 39 far 0 93 0 - 7.6-13.5 HE3 LYS 90 - HB2 LYS 20 far 0 66 0 - 7.9-10.8 HB2 ASN 10 - HB2 LYS 12 far 0 80 0 - 8.0-9.4 HE3 LYS 20 - HB2 LYS 12 far 0 90 0 - 8.1-12.2 HE3 LYS 20 - HB3 LYS 12 far 0 91 0 - 9.1-13.0 HE3 LYS 73 - HB3 LYS 68 far 0 65 0 - 9.3-11.7 HE2 LYS 20 - HB2 LYS 12 far 0 90 0 - 9.7-13.0 HE3 LYS 94 - HB2 LYS 20 far 0 86 0 - 9.7-13.6 HE2 LYS 94 - HB2 LYS 20 far 0 83 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 3019 from cnoeabs.peaks (2.91, 1.87, 32.18 ppm; 3.69 A): 6 out of 21 assignments used, quality = 1.00: HE2 LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.9-5.0 5.0=40, 4267/2.9=14...(83) * HE3 LYS 68 + HB3 LYS 68 OK 100 100 100 100 2.8-4.4 5.0=40, 4267/2.9=14...(84) HE2 LYS 20 + HB2 LYS 20 OK 85 86 100 99 1.9-3.5 4.7=48, 6313/4.0=16...(100) HE3 LYS 20 + HB2 LYS 20 OK 85 86 100 99 1.9-3.6 4.7=48, 6313/4.0=16...(100) HE3 LYS 39 + HB3 LYS 39 OK 70 71 100 99 3.1-5.0 4.9=42, 1.8/1749=21...(43) HE2 LYS 39 + HB3 LYS 39 OK 59 60 100 99 3.2-4.7 4.9=42, 1.8/1749=21...(43) HE3 LYS 73 - HB3 LYS 39 far 0 58 0 - 5.3-9.9 HG2 MET 21 - HB2 LYS 20 far 0 57 0 - 5.8-8.4 HE3 LYS 66 - HB3 LYS 68 far 0 100 0 - 6.2-9.1 HE3 LYS 66 - HB3 LYS 39 far 0 97 0 - 6.5-12.1 HB2 ASN 10 - HB3 LYS 12 far 0 79 0 - 7.0-8.8 HE2 LYS 66 - HB3 LYS 68 far 0 98 0 - 7.4-9.2 HE2 LYS 66 - HB3 LYS 39 far 0 94 0 - 7.6-13.5 HE3 LYS 90 - HB2 LYS 20 far 0 63 0 - 7.9-10.8 HB2 ASN 10 - HB2 LYS 12 far 0 78 0 - 8.0-9.4 HE3 LYS 20 - HB2 LYS 12 far 0 89 0 - 8.1-12.2 HE3 LYS 20 - HB3 LYS 12 far 0 90 0 - 9.1-13.0 HE3 LYS 73 - HB3 LYS 68 far 0 61 0 - 9.3-11.7 HE2 LYS 20 - HB2 LYS 12 far 0 89 0 - 9.7-13.0 HE3 LYS 94 - HB2 LYS 20 far 0 86 0 - 9.7-13.6 HE2 LYS 94 - HB2 LYS 20 far 0 82 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 3020 from cnoeabs.peaks (7.90, 1.87, 32.18 ppm; 3.83 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 69 + HB3 LYS 68 OK 100 100 100 100 2.6-3.3 7125=59, 7122/4.0=53...(31) H ASP 65 + HB3 LYS 68 OK 93 94 100 99 4.2-4.7 3.0/3009=42...(33) H GLN 72 - HB3 LYS 68 far 0 100 0 - 6.4-7.0 H GLN 72 - HB3 LYS 39 far 0 97 0 - 6.7-8.9 H GLU 69 - HB3 LYS 39 far 0 98 0 - 8.0-11.0 Violated in 0 structures by 0.00 A. Peak 3021 from cnoeabs.peaks (8.19, 1.64, 25.26 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 68 + HG2 LYS 68 OK 100 100 100 100 3.4-4.6 4.6=67, 2998/2.9=57...(26) H GLU 43 - HG3 LYS 47 far 0 61 0 - 6.5-9.1 H HIS 106 - HG2 LYS 68 far 0 73 0 - 7.8-19.2 H GLU 104 - HG2 LYS 68 far 0 77 0 - 7.9-19.0 Violated in 6 structures by 0.17 A. Peak 3022 from cnoeabs.peaks (3.81, 1.64, 25.26 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.4-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3023 from cnoeabs.peaks (1.84, 1.64, 25.26 ppm; 3.21 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 68 + HG2 LYS 68 OK 71 71 100 100 2.2-3.0 2.9=100 HG2 ARG 46 - HG3 LYS 47 poor 11 58 55 36 2.4-7.2 6765/6773=17...(6) HB3 LYS 66 - HG2 LYS 68 far 0 88 0 - 7.2-9.1 HB2 GLU 104 - HG2 LYS 68 far 0 79 0 - 7.3-19.1 HB2 LEU 42 - HG3 LYS 47 far 0 40 0 - 8.3-11.0 HB3 GLU 104 - HG2 LYS 68 far 0 73 0 - 8.6-20.3 HB3 LYS 39 - HG3 LYS 47 far 0 48 0 - 9.2-14.1 Violated in 0 structures by 0.00 A. Peak 3024 from cnoeabs.peaks (1.87, 1.64, 25.26 ppm; 3.32 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 LYS 68 + HG2 LYS 68 OK 71 71 100 100 2.3-3.0 2.9=100 HB2 GLU 43 - HG3 LYS 47 poor 16 35 45 - 3.8-7.0 HB3 LYS 66 - HG2 LYS 68 far 0 99 0 - 7.2-9.1 HB3 GLU 104 - HG2 LYS 68 far 0 100 0 - 8.6-20.3 HB3 LYS 39 - HG3 LYS 47 far 0 61 0 - 9.2-14.1 HB VAL 54 - HG2 LYS 68 far 0 97 0 - 9.4-12.0 HB ILE 8 - HG2 LYS 68 far 0 87 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 3025 from cnoeabs.peaks (1.64, 1.64, 25.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 68 + HG2 LYS 68 OK 100 100 - 100 HG3 LYS 47 + HG3 LYS 47 OK 52 52 - 100 Peak 3026 from cnoeabs.peaks (1.35, 1.64, 25.26 ppm; 2.78 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 68 + HG2 LYS 68 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 67 - HG2 LYS 68 far 0 98 0 - 4.4-6.4 HB2 LEU 70 - HG2 LYS 68 far 0 92 0 - 7.0-8.9 HB2 LYS 82 - HG2 LYS 68 far 0 100 0 - 7.3-10.5 HG3 LYS 40 - HG3 LYS 47 far 0 60 0 - 8.4-11.5 HG12 ILE 8 - HG2 LYS 68 far 0 97 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3027 from cnoeabs.peaks (1.65, 1.64, 25.26 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG2 LYS 68 + HG2 LYS 68 OK 99 99 - 100 HG3 LYS 47 + HG3 LYS 47 OK 41 41 - 100 Reference assignment not found: HD2 LYS 68 - HG2 LYS 68 Peak 3028 from cnoeabs.peaks (1.65, 1.64, 25.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 68 + HG2 LYS 68 OK 99 99 - 100 HG3 LYS 47 + HG3 LYS 47 OK 42 42 - 100 Reference assignment not found: HD3 LYS 68 - HG2 LYS 68 Peak 3029 from cnoeabs.peaks (2.91, 1.64, 25.26 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HE2 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.0-4.2 3.6=100 HE3 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.0-4.0 3.6=100 HE3 LYS 66 - HG2 LYS 68 far 0 99 0 - 6.0-11.4 HE2 LYS 66 - HG2 LYS 68 far 0 96 0 - 7.3-11.9 HE3 LYS 73 - HG2 LYS 68 far 0 65 0 - 8.4-12.7 HE2 LYS 39 - HG3 LYS 47 far 0 30 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 3030 from cnoeabs.peaks (2.91, 1.64, 25.26 ppm; 3.95 A): 2 out of 6 assignments used, quality = 1.00: * HE3 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.0-4.0 3.6=100 HE2 LYS 68 + HG2 LYS 68 OK 100 100 100 100 2.0-4.2 3.6=100 HE3 LYS 66 - HG2 LYS 68 far 0 100 0 - 6.0-11.4 HE2 LYS 66 - HG2 LYS 68 far 0 98 0 - 7.3-11.9 HE3 LYS 73 - HG2 LYS 68 far 0 61 0 - 8.4-12.7 HE2 LYS 39 - HG3 LYS 47 far 0 33 0 - 9.7-15.9 Violated in 0 structures by 0.00 A. Peak 3031 from cnoeabs.peaks (7.90, 1.64, 25.26 ppm; 5.11 A): 3 out of 3 assignments used, quality = 1.00: * H GLU 69 + HG2 LYS 68 OK 100 100 100 100 2.3-5.1 7122/3021=84...(25) H ASP 65 + HG2 LYS 68 OK 70 94 75 100 4.8-7.2 3.0/10268=67...(26) H GLN 72 + HG2 LYS 68 OK 67 100 75 90 5.2-8.1 2996/4.0=34, 9556=31...(13) Violated in 0 structures by 0.00 A. Peak 3032 from cnoeabs.peaks (8.19, 1.35, 25.26 ppm; 4.19 A): 3 out of 6 assignments used, quality = 1.00: * H LYS 68 + HG3 LYS 68 OK 100 100 100 100 3.5-4.5 3021/1.8=81, 4.6=77...(23) H ASP 36 + HG2 LYS 39 OK 42 67 65 97 5.0-7.9 8779/3.0=34, ~10560=30...(25) H GLU 43 + HG2 LYS 39 OK 30 66 50 91 4.8-6.3 6681/3.9=46...(11) H GLU 104 - HG3 LYS 68 far 0 77 0 - 6.5-19.1 H HIS 106 - HG3 LYS 68 far 0 73 0 - 7.7-20.1 H LYS 68 - HG2 LYS 39 far 0 67 0 - 9.3-11.4 Violated in 3 structures by 0.02 A. Peak 3033 from cnoeabs.peaks (3.81, 1.35, 25.26 ppm; 3.72 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.0-3.6 4.0=82, 10260/12321=37...(45) HA LYS 68 - HG2 LYS 39 far 0 67 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 3034 from cnoeabs.peaks (1.84, 1.35, 25.26 ppm; 3.16 A): 3 out of 9 assignments used, quality = 1.00: * HB2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LYS 68 + HG3 LYS 68 OK 71 71 100 100 2.4-3.0 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 52 52 100 100 2.2-3.0 3.0=100 HB2 LEU 42 - HG2 LYS 39 far 0 43 0 - 4.8-6.5 HB2 GLU 104 - HG3 LYS 68 far 0 79 0 - 6.2-19.0 HG2 ARG 46 - HG2 LYS 39 far 0 62 0 - 7.0-11.5 HB3 GLU 104 - HG3 LYS 68 far 0 73 0 - 7.8-18.9 HB3 LYS 66 - HG3 LYS 68 far 0 88 0 - 7.9-8.8 HB3 LYS 66 - HG2 LYS 39 far 0 53 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 3035 from cnoeabs.peaks (1.87, 1.35, 25.26 ppm; 3.23 A): 3 out of 10 assignments used, quality = 1.00: * HB3 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.4-3.0 2.9=100 HB2 LYS 68 + HG3 LYS 68 OK 71 71 100 100 2.4-3.0 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 65 65 100 100 2.2-3.0 3.0=100 HG LEU 42 - HG2 LYS 39 far 0 51 0 - 4.8-7.1 HB2 GLU 43 - HG2 LYS 39 far 0 38 0 - 5.8-8.1 HB3 GLU 104 - HG3 LYS 68 far 0 100 0 - 7.8-18.9 HB3 LYS 66 - HG3 LYS 68 far 0 99 0 - 7.9-8.8 HB3 LYS 66 - HG2 LYS 39 far 0 64 0 - 8.9-11.4 HB VAL 54 - HG3 LYS 68 far 0 97 0 - 9.2-11.7 HB ILE 8 - HG3 LYS 68 far 0 87 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3036 from cnoeabs.peaks (1.64, 1.35, 25.26 ppm; 2.54 A): 6 out of 13 assignments used, quality = 1.00: * HG2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 68 + HG3 LYS 68 OK 93 99 100 94 2.2-2.9 3.0=63, 1.8/3048=12...(61) HD2 LYS 68 + HG3 LYS 68 OK 92 99 100 93 2.2-2.9 3.0=63, 1.8/3048=12...(59) HD3 LYS 39 + HG2 LYS 39 OK 66 67 100 98 2.2-3.0 3.0=63, 1720/1.8=28...(63) HD2 LYS 39 + HG2 LYS 39 OK 62 63 100 98 2.2-3.0 3.0=63, 1720/1.8=27...(58) HB2 LYS 40 + HG2 LYS 39 OK 25 67 70 54 3.1-7.3 1788=11, 1783/6622=11...(15) HD2 LYS 73 - HG2 LYS 39 far 0 51 0 - 4.8-10.0 HD3 LYS 73 - HG2 LYS 39 far 0 53 0 - 5.3-9.8 HB3 ARG 79 - HG3 LYS 68 far 0 98 0 - 6.8-10.1 HB ILE 76 - HG2 LYS 39 far 0 67 0 - 8.1-11.5 HD3 LYS 73 - HG3 LYS 68 far 0 88 0 - 8.9-13.3 HD2 LYS 73 - HG3 LYS 68 far 0 85 0 - 9.1-11.8 HB ILE 76 - HG3 LYS 68 far 0 100 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 3037 from cnoeabs.peaks (1.35, 1.35, 25.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 68 + HG3 LYS 68 OK 100 100 - 100 HG2 LYS 39 + HG2 LYS 39 OK 67 67 - 100 Peak 3038 from cnoeabs.peaks (1.65, 1.35, 25.26 ppm; 2.54 A): 6 out of 14 assignments used, quality = 1.00: HG2 LYS 68 + HG3 LYS 68 OK 99 99 100 100 1.8-1.8 1.8=100 HD3 LYS 68 + HG3 LYS 68 OK 94 100 100 94 2.2-2.9 3.0=63, 1.8/3048=12...(61) * HD2 LYS 68 + HG3 LYS 68 OK 93 100 100 93 2.2-2.9 3.0=63, 1.8/3048=12...(60) HD2 LYS 39 + HG2 LYS 39 OK 66 67 100 98 2.2-3.0 3.0=63, 1719/1.8=28...(58) HD3 LYS 39 + HG2 LYS 39 OK 62 64 100 98 2.2-3.0 3.0=63, 1719/1.8=27...(62) HB2 LYS 40 + HG2 LYS 39 OK 25 66 70 54 3.1-7.3 1788=11, 1783/6622=11...(15) HB3 LYS 40 - HG2 LYS 39 far 2 43 5 - 4.0-8.0 HD2 LYS 73 - HG2 LYS 39 far 0 61 0 - 4.8-10.0 HD3 LYS 73 - HG2 LYS 39 far 0 62 0 - 5.3-9.8 HB3 ARG 79 - HG3 LYS 68 far 0 100 0 - 6.8-10.1 HB ILE 76 - HG2 LYS 39 far 0 65 0 - 8.1-11.5 HD3 LYS 73 - HG3 LYS 68 far 0 98 0 - 8.9-13.3 HD2 LYS 73 - HG3 LYS 68 far 0 96 0 - 9.1-11.8 HB ILE 76 - HG3 LYS 68 far 0 99 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 3039 from cnoeabs.peaks (1.65, 1.35, 25.26 ppm; 2.54 A): 6 out of 14 assignments used, quality = 1.00: HG2 LYS 68 + HG3 LYS 68 OK 99 99 100 100 1.8-1.8 1.8=100 * HD3 LYS 68 + HG3 LYS 68 OK 94 100 100 94 2.2-2.9 3.0=63, 1.8/3048=12...(61) HD2 LYS 68 + HG3 LYS 68 OK 93 100 100 93 2.2-2.9 3.0=63, 1.8/3048=12...(60) HD2 LYS 39 + HG2 LYS 39 OK 65 67 100 98 2.2-3.0 3.0=63, 1719/1.8=28...(58) HD3 LYS 39 + HG2 LYS 39 OK 63 64 100 98 2.2-3.0 3.0=63, 1720/1.8=27...(62) HB2 LYS 40 + HG2 LYS 39 OK 25 66 70 55 3.1-7.3 1788=11, 1783/6622=11...(15) HB3 LYS 40 - HG2 LYS 39 far 2 42 5 - 4.0-8.0 HD2 LYS 73 - HG2 LYS 39 far 0 60 0 - 4.8-10.0 HD3 LYS 73 - HG2 LYS 39 far 0 62 0 - 5.3-9.8 HB3 ARG 79 - HG3 LYS 68 far 0 100 0 - 6.8-10.1 HB ILE 76 - HG2 LYS 39 far 0 66 0 - 8.1-11.5 HD3 LYS 73 - HG3 LYS 68 far 0 97 0 - 8.9-13.3 HD2 LYS 73 - HG3 LYS 68 far 0 96 0 - 9.1-11.8 HB ILE 76 - HG3 LYS 68 far 0 100 0 - 9.2-11.9 Violated in 0 structures by 0.00 A. Peak 3040 from cnoeabs.peaks (2.91, 1.35, 25.26 ppm; 3.87 A): 4 out of 10 assignments used, quality = 1.00: * HE2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.0-4.2 3.6=100 HE3 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.0-4.0 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 41 41 100 100 2.1-4.1 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 33 33 100 100 2.0-4.2 3.5=100 HE3 LYS 73 - HG2 LYS 39 far 2 37 5 - 4.1-11.4 HE2 LYS 66 - HG2 LYS 39 far 0 61 0 - 7.5-11.7 HE3 LYS 66 - HG3 LYS 68 far 0 99 0 - 7.7-11.3 HE3 LYS 66 - HG2 LYS 39 far 0 65 0 - 7.8-11.9 HE3 LYS 73 - HG3 LYS 68 far 0 65 0 - 8.8-12.3 HE2 LYS 66 - HG3 LYS 68 far 0 96 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 3041 from cnoeabs.peaks (2.91, 1.35, 25.26 ppm; 3.87 A): 4 out of 10 assignments used, quality = 1.00: * HE3 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.0-4.0 3.6=100 HE2 LYS 68 + HG3 LYS 68 OK 100 100 100 100 2.0-4.2 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 43 43 100 100 2.1-4.1 3.5=100 HE2 LYS 39 + HG2 LYS 39 OK 35 35 100 100 2.0-4.2 3.5=100 HE3 LYS 73 - HG2 LYS 39 far 2 34 5 - 4.1-11.4 HE2 LYS 66 - HG2 LYS 39 far 0 62 0 - 7.5-11.7 HE3 LYS 66 - HG3 LYS 68 far 0 100 0 - 7.7-11.3 HE3 LYS 66 - HG2 LYS 39 far 0 66 0 - 7.8-11.9 HE3 LYS 73 - HG3 LYS 68 far 0 61 0 - 8.8-12.3 HE2 LYS 66 - HG3 LYS 68 far 0 98 0 - 8.9-11.6 Violated in 0 structures by 0.00 A. Peak 3042 from cnoeabs.peaks (7.90, 1.35, 25.26 ppm; 5.00 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 69 + HG3 LYS 68 OK 100 100 100 100 3.2-5.3 3.6/3033=80, 7122/4.6=73...(21) H GLN 72 + HG3 LYS 68 OK 56 100 80 70 4.7-8.0 2996/3033=35...(8) H ASP 65 - HG3 LYS 68 poor 19 94 20 - 5.2-7.3 H GLN 72 - HG2 LYS 39 far 0 66 0 - 6.7-10.8 H GLU 69 - HG2 LYS 39 far 0 67 0 - 8.5-11.6 Violated in 2 structures by 0.02 A. Peak 3043 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.13 A): 4 out of 17 assignments used, quality = 1.00: H LYS 68 + HD3 LYS 68 OK 100 100 100 100 4.4-5.6 3021/3.0=63, 2998/3.5=52...(27) * H LYS 68 + HD2 LYS 68 OK 90 100 90 100 4.5-5.8 3021/3.0=63, 2998/3.5=52...(29) H ASP 36 + HD2 LYS 39 OK 74 96 80 97 4.5-6.0 8779/3.6=30, 8780=23...(26) H ASP 36 + HD3 LYS 39 OK 30 90 35 96 4.5-7.5 8779/3.6=30, 8780/1.8=23...(25) H SER 97 - HD2 LYS 94 far 5 36 15 - 4.8-7.4 H HIS 106 - HD3 LYS 68 far 4 73 5 - 5.0-20.5 H GLU 43 - HD2 LYS 39 far 0 94 0 - 5.8-8.3 H HIS 106 - HD2 LYS 68 far 0 73 0 - 6.0-20.5 H PHE 96 - HD2 LYS 94 far 0 41 0 - 6.1-6.9 H GLU 104 - HD3 LYS 68 far 0 77 0 - 6.3-16.7 H GLU 43 - HD3 LYS 39 far 0 89 0 - 6.6-7.5 H GLU 43 - HD3 LYS 47 far 0 45 0 - 6.6-9.6 H GLU 43 - HD2 LYS 47 far 0 47 0 - 6.8-9.9 H GLU 104 - HD2 LYS 68 far 0 77 0 - 6.9-16.9 H LYS 68 - HD2 LYS 39 far 0 96 0 - 8.9-11.9 H LYS 68 - HD3 LYS 39 far 0 90 0 - 9.8-11.7 H GLU 104 - HD2 LYS 94 far 0 36 0 - 9.8-18.9 Violated in 3 structures by 0.02 A. Peak 3044 from cnoeabs.peaks (3.81, 1.65, 29.52 ppm; 4.24 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 68 + HD2 LYS 68 OK 100 100 100 100 2.1-5.3 3033/3.0=71, 5.3=50...(72) HA LYS 68 + HD3 LYS 68 OK 100 100 100 100 2.7-4.6 3033/3.0=71, 5.3=50...(72) HA ARG 19 - HD2 LYS 20 far 7 44 15 - 5.5-7.6 HA ALA 18 - HD2 LYS 20 far 1 28 5 - 5.4-7.5 HA ALA 18 - HD3 LYS 20 far 0 32 0 - 6.0-7.9 HA ALA 22 - HD2 LYS 94 far 0 46 0 - 6.2-7.9 HA SER 97 - HD2 LYS 94 far 0 53 0 - 6.2-9.9 HA ALA 18 - HD2 LYS 94 far 0 36 0 - 6.4-9.8 HA ARG 19 - HD3 LYS 20 far 0 49 0 - 6.6-7.9 HA ALA 22 - HD2 LYS 20 far 0 36 0 - 9.1-10.7 HA LYS 68 - HD2 LYS 39 far 0 96 0 - 9.6-12.6 HA ALA 22 - HD3 LYS 20 far 0 40 0 - 9.9-10.5 Violated in 6 structures by 0.01 A. Peak 3045 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 2.93 A): 6 out of 41 assignments used, quality = 1.00: * HB2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.0-3.8 3.5=59, 3004/1.8=15...(75) HB2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.1-3.7 3.5=59, 3004/1.8=15...(75) HB3 LYS 39 + HD2 LYS 39 OK 78 79 100 98 2.4-4.1 3.6=54, 1.8/1686=28...(42) HB3 LYS 39 + HD3 LYS 39 OK 71 73 100 98 2.3-3.6 3.6=54, 1.8/1687=27...(41) HB3 LYS 68 + HD2 LYS 68 OK 70 71 100 98 2.9-4.1 3.5=59, 1.8/3004=16...(73) HB3 LYS 68 + HD3 LYS 68 OK 70 71 100 98 2.2-4.2 3.5=59, 1.8/3004=16...(74) HB3 LYS 90 - HD2 LYS 94 poor 17 56 30 - 3.8-8.8 HB ILE 93 - HD2 LYS 94 poor 11 31 35 - 3.9-6.2 HB2 LYS 90 - HD2 LYS 94 poor 8 41 20 - 3.7-10.3 HG2 ARG 46 - HD3 LYS 47 far 4 42 10 - 4.3-8.5 HG2 ARG 46 - HD2 LYS 47 far 0 45 0 - 4.6-9.3 HB2 LYS 90 - HD2 LYS 20 far 0 32 0 - 5.3-9.6 HB3 LYS 90 - HD2 LYS 20 far 0 44 0 - 5.3-8.5 HB2 GLU 104 - HD3 LYS 68 far 0 79 0 - 5.3-17.0 HB2 LYS 90 - HD3 LYS 20 far 0 36 0 - 5.4-10.0 HB3 LYS 90 - HD3 LYS 20 far 0 49 0 - 5.7-8.9 HB2 GLU 104 - HD2 LYS 68 far 0 79 0 - 5.7-18.5 HB2 LEU 42 - HD2 LYS 39 far 0 68 0 - 6.4-8.0 HB3 GLU 104 - HD3 LYS 68 far 0 73 0 - 6.6-18.3 HB2 LEU 42 - HD3 LYS 39 far 0 62 0 - 6.6-7.6 HB3 GLU 104 - HD2 LYS 68 far 0 73 0 - 6.9-19.8 HB3 LYS 66 - HD3 LYS 68 far 0 88 0 - 7.9-10.0 HB3 GLU 104 - HD2 LYS 94 far 0 34 0 - 8.3-20.5 HB3 LYS 66 - HD2 LYS 68 far 0 88 0 - 8.4-9.8 HB3 LYS 66 - HD2 LYS 39 far 0 80 0 - 8.5-11.2 HB2 LYS 12 - HD2 LYS 20 far 0 32 0 - 8.6-12.2 HG2 ARG 46 - HD3 LYS 39 far 0 85 0 - 8.7-11.7 HB ILE 93 - HD2 LYS 20 far 0 24 0 - 8.7-11.6 HB2 LYS 12 - HD3 LYS 20 far 0 36 0 - 8.7-13.0 HB2 LEU 42 - HD3 LYS 47 far 0 29 0 - 8.8-11.7 HB3 LYS 66 - HD3 LYS 39 far 0 74 0 - 9.0-11.6 HB2 LEU 42 - HD2 LYS 47 far 0 30 0 - 9.1-11.8 HB3 LYS 39 - HD3 LYS 47 far 0 35 0 - 9.1-14.0 HG2 ARG 46 - HD2 LYS 39 far 0 91 0 - 9.2-13.2 HB2 GLU 104 - HD2 LYS 94 far 0 38 0 - 9.2-19.9 HB3 LYS 39 - HD2 LYS 47 far 0 37 0 - 9.2-14.3 HB ILE 93 - HD3 LYS 20 far 0 27 0 - 9.2-11.1 HB3 LYS 12 - HD2 LYS 20 far 0 30 0 - 9.3-12.8 HB3 LYS 12 - HD3 LYS 20 far 0 34 0 - 9.5-13.8 HB2 GLU 88 - HD2 LYS 94 far 0 38 0 - 9.7-14.4 HB VAL 5 - HD2 LYS 94 far 0 44 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3046 from cnoeabs.peaks (1.87, 1.65, 29.52 ppm; 2.95 A): 8 out of 38 assignments used, quality = 1.00: * HB3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.9-4.1 3.5=60, 1.8/3004=16...(75) HB3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-4.2 3.5=60, 1.8/3004=16...(75) HB3 LYS 39 + HD2 LYS 39 OK 92 93 100 99 2.4-4.1 3.6=56, 1.8/1686=28...(42) HB3 LYS 39 + HD3 LYS 39 OK 86 88 100 98 2.3-3.6 3.6=56, 1.8/1687=28...(41) HB2 LYS 68 + HD2 LYS 68 OK 70 71 100 99 2.0-3.8 3.5=60, 3.0/3044=14...(76) HB2 LYS 68 + HD3 LYS 68 OK 70 71 100 99 2.1-3.7 3.5=60, 3.0/2992=15...(76) HB2 LYS 20 + HD3 LYS 20 OK 41 43 100 96 2.5-3.7 3.5=58, ~848=9...(62) HB2 LYS 20 + HD2 LYS 20 OK 36 38 100 96 2.4-3.6 3.5=58, ~848=9...(62) HB2 ARG 19 - HD2 LYS 20 poor 18 36 50 - 3.3-7.1 HB3 LYS 90 - HD2 LYS 94 poor 9 29 30 - 3.8-8.8 HB2 GLU 43 - HD2 LYS 47 far 4 26 15 - 4.0-7.7 HB2 GLU 43 - HD3 LYS 47 far 2 25 10 - 3.5-7.5 HB2 ARG 19 - HD3 LYS 20 far 0 40 0 - 4.6-7.0 HB3 LYS 90 - HD2 LYS 20 far 0 22 0 - 5.3-8.5 HB3 LYS 90 - HD3 LYS 20 far 0 25 0 - 5.7-8.9 HG LEU 42 - HD3 LYS 39 far 0 71 0 - 6.3-8.4 HG LEU 42 - HD2 LYS 39 far 0 78 0 - 6.5-8.7 HB3 GLU 104 - HD3 LYS 68 far 0 100 0 - 6.6-18.3 HB2 GLU 43 - HD3 LYS 39 far 0 55 0 - 6.7-9.0 HB3 GLU 104 - HD2 LYS 68 far 0 100 0 - 6.9-19.8 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 6.9-10.2 HB3 LYS 66 - HD3 LYS 68 far 0 99 0 - 7.9-10.0 HB3 GLU 104 - HD2 LYS 94 far 0 56 0 - 8.3-20.5 HB3 LYS 66 - HD2 LYS 68 far 0 99 0 - 8.4-9.8 HB3 LYS 66 - HD2 LYS 39 far 0 93 0 - 8.5-11.2 HB2 LYS 12 - HD2 LYS 20 far 0 43 0 - 8.6-12.2 HB2 LYS 12 - HD3 LYS 20 far 0 49 0 - 8.7-13.0 HB2 LYS 20 - HD2 LYS 94 far 0 48 0 - 9.0-12.1 HB3 LYS 66 - HD3 LYS 39 far 0 87 0 - 9.0-11.6 HB VAL 54 - HD3 LYS 68 far 0 97 0 - 9.0-12.3 HB3 LYS 39 - HD3 LYS 47 far 0 44 0 - 9.1-14.0 HB3 LYS 39 - HD2 LYS 47 far 0 46 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 31 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 27 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 44 0 - 9.3-12.8 HB3 LYS 12 - HD3 LYS 20 far 0 49 0 - 9.5-13.8 HB VAL 54 - HD2 LYS 68 far 0 97 0 - 9.8-13.1 HB VAL 5 - HD2 LYS 94 far 0 54 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3047 from cnoeabs.peaks (1.64, 1.65, 29.52 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 99 99 - 100 HD2 LYS 68 + HD2 LYS 68 OK 99 99 - 100 HD2 LYS 39 + HD2 LYS 39 OK 92 92 - 100 HD3 LYS 39 + HD3 LYS 39 OK 90 90 - 100 HD2 LYS 94 + HD2 LYS 94 OK 48 48 - 100 HD3 LYS 20 + HD3 LYS 20 OK 30 30 - 100 HD2 LYS 20 + HD2 LYS 20 OK 24 24 - 100 HD2 LYS 47 + HD2 LYS 47 OK 23 23 - 100 HD3 LYS 47 + HD3 LYS 47 OK 21 21 - 100 Reference assignment not found: HG2 LYS 68 - HD2 LYS 68 Peak 3048 from cnoeabs.peaks (1.35, 1.65, 29.52 ppm; 2.70 A): 6 out of 29 assignments used, quality = 1.00: HG3 LYS 68 + HD3 LYS 68 OK 97 100 100 97 2.2-2.9 3.0=76, 3038/1.8=15...(68) * HG3 LYS 68 + HD2 LYS 68 OK 97 100 100 97 2.2-2.9 3.0=76, 3038/1.8=15...(66) HG2 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=76, 1.8/1719=31...(63) HG2 LYS 39 + HD3 LYS 39 OK 89 90 100 99 2.2-3.0 3.0=76, 1.8/1720=30...(69) HG2 LYS 94 + HD2 LYS 94 OK 49 54 100 92 2.3-3.0 3.0=75, 2.9/4191=10...(29) HG3 LYS 94 + HD2 LYS 94 OK 31 34 100 92 2.2-3.0 3.0=75, 2.9/4191=10...(28) QB ALA 25 - HD2 LYS 94 poor 11 54 20 - 2.4-6.0 HB2 LEU 70 - HD2 LYS 39 far 0 84 0 - 4.4-7.3 HG3 LYS 40 - HD2 LYS 39 far 0 93 0 - 5.2-9.7 HB2 LEU 70 - HD3 LYS 39 far 0 78 0 - 5.2-6.6 QB ALA 67 - HD2 LYS 68 far 0 98 0 - 5.5-7.4 QB ALA 67 - HD3 LYS 68 far 0 98 0 - 5.6-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 100 0 - 6.7-9.1 QB ALA 89 - HD2 LYS 94 far 0 54 0 - 6.8-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 87 0 - 6.8-8.9 QB ALA 67 - HD2 LYS 39 far 0 92 0 - 6.9-9.0 QB ALA 67 - HD3 LYS 39 far 0 86 0 - 7.0-9.1 HG3 LYS 40 - HD3 LYS 47 far 0 44 0 - 7.1-11.1 HG3 LYS 40 - HD2 LYS 47 far 0 46 0 - 7.2-11.5 QB ALA 89 - HD3 LYS 20 far 0 47 0 - 7.3-9.9 HB2 LEU 70 - HD2 LYS 68 far 0 92 0 - 7.5-9.5 QB ALA 89 - HD2 LYS 20 far 0 42 0 - 7.6-9.4 HG LEU 14 - HD2 LYS 20 far 0 44 0 - 8.2-10.4 HB2 LYS 82 - HD2 LYS 68 far 0 100 0 - 8.2-10.4 HB2 LEU 70 - HD3 LYS 68 far 0 92 0 - 8.4-9.6 HG LEU 14 - HD3 LYS 20 far 0 50 0 - 8.4-10.7 HB3 LEU 27 - HD2 LYS 94 far 0 55 0 - 8.7-11.7 QB ALA 25 - HD3 LYS 20 far 0 47 0 - 9.2-10.6 QB ALA 25 - HD2 LYS 20 far 0 42 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3049 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 95 95 - 100 HD3 LYS 39 + HD3 LYS 39 OK 86 86 - 100 HD3 LYS 20 + HD3 LYS 20 OK 39 39 - 100 HD2 LYS 94 + HD2 LYS 94 OK 39 39 - 100 HD2 LYS 47 + HD2 LYS 47 OK 33 33 - 100 HD2 LYS 20 + HD2 LYS 20 OK 32 32 - 100 HD3 LYS 47 + HD3 LYS 47 OK 30 30 - 100 Peak 3050 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 95 95 - 100 HD3 LYS 39 + HD3 LYS 39 OK 87 87 - 100 HD2 LYS 94 + HD2 LYS 94 OK 40 40 - 100 HD3 LYS 20 + HD3 LYS 20 OK 39 39 - 100 HD2 LYS 47 + HD2 LYS 47 OK 32 32 - 100 HD2 LYS 20 + HD2 LYS 20 OK 32 32 - 100 HD3 LYS 47 + HD3 LYS 47 OK 29 29 - 100 Reference assignment not found: HD3 LYS 68 - HD2 LYS 68 Peak 3051 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.88 A): 14 out of 36 assignments used, quality = 1.00: HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=8...(76) * HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.6-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 39 + HD2 LYS 39 OK 63 64 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE3 LYS 39 + HD3 LYS 39 OK 58 58 100 99 2.2-2.9 3.0=90, 3.5/1720=18...(34) HE3 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 94 + HD2 LYS 94 OK 53 54 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 39 + HD2 LYS 39 OK 52 53 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE2 LYS 20 + HD3 LYS 20 OK 48 50 100 97 2.3-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD3 LYS 20 OK 48 50 100 97 2.4-3.0 3.0=89, 941/2.8=8...(48) HE2 LYS 39 + HD3 LYS 39 OK 47 48 100 99 2.2-3.0 3.0=90, 3.5/1720=18...(34) HE2 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HG2 MET 21 - HD2 LYS 94 poor 13 36 60 59 2.8-7.2 ~12251=9, 8534/6.3=6...(23) HE3 LYS 73 - HD2 LYS 39 far 3 58 5 - 4.0-10.8 HE3 LYS 73 - HD3 LYS 39 far 3 53 5 - 4.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 0 32 0 - 4.4-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 41 0 - 5.5-11.9 HE3 LYS 90 - HD3 LYS 20 far 0 36 0 - 5.5-10.8 HE3 LYS 66 - HD3 LYS 39 far 0 88 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 90 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 28 0 - 6.4-9.7 HE3 LYS 66 - HD2 LYS 39 far 0 93 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 32 0 - 6.6-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 99 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 83 0 - 7.6-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 96 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 96 0 - 8.7-13.2 HE2 LYS 94 - HD2 LYS 20 far 0 42 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 47 0 - 9.4-14.0 HE2 LYS 20 - HD2 LYS 94 far 0 56 0 - 9.6-13.2 HE3 LYS 94 - HD3 LYS 20 far 0 50 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 65 0 - 9.7-12.7 HE2 LYS 39 - HD2 LYS 47 far 0 23 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 3052 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.88 A): 14 out of 36 assignments used, quality = 1.00: HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=8...(77) HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 4267/3.0=8...(76) * HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.6-3.0 3.0=89, 4267/3.0=8...(76) HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 39 + HD2 LYS 39 OK 67 68 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE3 LYS 39 + HD3 LYS 39 OK 61 62 100 99 2.2-2.9 3.0=90, 3.5/1720=18...(34) HE2 LYS 39 + HD2 LYS 39 OK 56 56 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE3 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 94 + HD2 LYS 94 OK 52 52 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 39 + HD3 LYS 39 OK 51 51 100 99 2.2-3.0 3.0=90, 3.5/1720=18...(34) HE2 LYS 20 + HD3 LYS 20 OK 48 49 100 97 2.3-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD3 LYS 20 OK 48 49 100 97 2.4-3.0 3.0=89, 941/2.8=8...(48) HE2 LYS 20 + HD2 LYS 20 OK 43 44 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD2 LYS 20 OK 42 44 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HG2 MET 21 - HD2 LYS 94 poor 12 34 60 58 2.8-7.2 ~12251=9, ~12253=6...(23) HE3 LYS 73 - HD2 LYS 39 far 3 55 5 - 4.0-10.8 HE3 LYS 73 - HD3 LYS 39 far 2 50 5 - 4.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 0 30 0 - 4.4-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 39 0 - 5.5-11.9 HE3 LYS 90 - HD3 LYS 20 far 0 34 0 - 5.5-10.8 HE3 LYS 66 - HD3 LYS 39 far 0 89 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 91 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 26 0 - 6.4-9.7 HE3 LYS 66 - HD2 LYS 39 far 0 94 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 30 0 - 6.6-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 100 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 100 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 85 0 - 7.6-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 98 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 98 0 - 8.7-13.2 HE2 LYS 94 - HD2 LYS 20 far 0 41 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 46 0 - 9.4-14.0 HE2 LYS 20 - HD2 LYS 94 far 0 56 0 - 9.6-13.2 HE3 LYS 94 - HD3 LYS 20 far 0 50 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 61 0 - 9.7-12.7 HE2 LYS 39 - HD2 LYS 47 far 0 24 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 3053 from cnoeabs.peaks (7.90, 1.65, 29.52 ppm; 4.93 A): 4 out of 10 assignments used, quality = 1.00: H GLU 69 + HD3 LYS 68 OK 100 100 100 100 4.5-6.2 3008/3.5=61, 7125/3.5=51...(25) * H GLU 69 + HD2 LYS 68 OK 100 100 100 100 4.4-5.1 3008/3.5=61, 7125/3.5=51...(25) H ASP 65 + HD3 LYS 68 OK 70 94 75 100 4.9-7.9 7052/10242=44...(30) H ASP 65 + HD2 LYS 68 OK 42 94 45 100 5.7-8.2 3020/3.5=37, ~10268=36...(28) H GLN 72 - HD2 LYS 68 poor 20 100 20 - 4.5-7.6 H GLN 72 - HD3 LYS 68 far 5 100 5 - 5.8-8.0 H GLN 72 - HD2 LYS 39 far 0 95 0 - 8.1-11.4 H GLU 69 - HD2 LYS 39 far 0 96 0 - 8.2-11.3 H GLU 69 - HD3 LYS 39 far 0 90 0 - 8.6-11.1 H GLN 72 - HD3 LYS 39 far 0 89 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 3054 from cnoeabs.peaks (8.19, 1.65, 29.52 ppm; 4.13 A): 4 out of 16 assignments used, quality = 1.00: * H LYS 68 + HD3 LYS 68 OK 100 100 100 100 4.4-5.6 3021/3.0=63, 2998/3.5=52...(27) H LYS 68 + HD2 LYS 68 OK 90 100 90 100 4.5-5.8 3021/3.0=63, 2998/3.5=52...(29) H ASP 36 + HD2 LYS 39 OK 74 95 80 97 4.5-6.0 8779/3.6=30, 8780=22...(26) H ASP 36 + HD3 LYS 39 OK 31 91 35 96 4.5-7.5 8779/3.6=30, 8780/1.8=23...(25) H SER 97 - HD2 LYS 94 far 6 38 15 - 4.8-7.4 H HIS 106 - HD3 LYS 68 far 4 73 5 - 5.0-20.5 H GLU 43 - HD2 LYS 39 far 0 94 0 - 5.8-8.3 H HIS 106 - HD2 LYS 68 far 0 73 0 - 6.0-20.5 H PHE 96 - HD2 LYS 94 far 0 43 0 - 6.1-6.9 H GLU 104 - HD3 LYS 68 far 0 77 0 - 6.3-16.7 H GLU 43 - HD3 LYS 39 far 0 90 0 - 6.6-7.5 H GLU 43 - HD2 LYS 47 far 0 45 0 - 6.8-9.9 H GLU 104 - HD2 LYS 68 far 0 77 0 - 6.9-16.9 H LYS 68 - HD2 LYS 39 far 0 95 0 - 8.9-11.9 H LYS 68 - HD3 LYS 39 far 0 91 0 - 9.8-11.7 H GLU 104 - HD2 LYS 94 far 0 38 0 - 9.8-18.9 Violated in 3 structures by 0.02 A. Peak 3055 from cnoeabs.peaks (3.81, 1.65, 29.52 ppm; 4.24 A): 2 out of 12 assignments used, quality = 1.00: HA LYS 68 + HD2 LYS 68 OK 100 100 100 100 2.1-5.3 3033/3.0=71, 5.3=50...(73) * HA LYS 68 + HD3 LYS 68 OK 100 100 100 100 2.7-4.6 3033/3.0=71, 5.3=50...(72) HA ARG 19 - HD2 LYS 20 far 6 42 15 - 5.5-7.6 HA ALA 18 - HD2 LYS 20 far 1 27 5 - 5.4-7.5 HA ALA 18 - HD3 LYS 20 far 0 31 0 - 6.0-7.9 HA ALA 22 - HD2 LYS 94 far 0 48 0 - 6.2-7.9 HA SER 97 - HD2 LYS 94 far 0 55 0 - 6.2-9.9 HA ALA 18 - HD2 LYS 94 far 0 38 0 - 6.4-9.8 HA ARG 19 - HD3 LYS 20 far 0 48 0 - 6.6-7.9 HA ALA 22 - HD2 LYS 20 far 0 34 0 - 9.1-10.7 HA LYS 68 - HD2 LYS 39 far 0 95 0 - 9.6-12.6 HA ALA 22 - HD3 LYS 20 far 0 39 0 - 9.9-10.5 Violated in 6 structures by 0.01 A. Peak 3056 from cnoeabs.peaks (1.84, 1.65, 29.52 ppm; 2.93 A): 6 out of 38 assignments used, quality = 1.00: HB2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.0-3.8 3.5=59, 3004/1.8=15...(75) * HB2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.1-3.7 3.5=59, 3004/1.8=15...(75) HB3 LYS 39 + HD2 LYS 39 OK 77 79 100 98 2.4-4.1 3.6=54, 1.8/1686=28...(42) HB3 LYS 39 + HD3 LYS 39 OK 72 74 100 98 2.3-3.6 3.6=54, 1.8/1687=27...(41) HB3 LYS 68 + HD3 LYS 68 OK 70 71 100 98 2.2-4.2 3.5=59, 1.8/3004=16...(74) HB3 LYS 68 + HD2 LYS 68 OK 70 71 100 98 2.9-4.1 3.5=59, 1.8/3004=16...(73) HB3 LYS 90 - HD2 LYS 94 poor 17 58 30 - 3.8-8.8 HB ILE 93 - HD2 LYS 94 poor 11 33 35 - 3.9-6.2 HB2 LYS 90 - HD2 LYS 94 poor 9 43 20 - 3.7-10.3 HG2 ARG 46 - HD2 LYS 47 far 0 42 0 - 4.6-9.3 HB2 LYS 90 - HD2 LYS 20 far 0 30 0 - 5.3-9.6 HB3 LYS 90 - HD2 LYS 20 far 0 42 0 - 5.3-8.5 HB2 GLU 104 - HD3 LYS 68 far 0 79 0 - 5.3-17.0 HB2 LYS 90 - HD3 LYS 20 far 0 34 0 - 5.4-10.0 HB3 LYS 90 - HD3 LYS 20 far 0 48 0 - 5.7-8.9 HB2 GLU 104 - HD2 LYS 68 far 0 79 0 - 5.7-18.5 HB2 LEU 42 - HD2 LYS 39 far 0 67 0 - 6.4-8.0 HB3 GLU 104 - HD3 LYS 68 far 0 73 0 - 6.6-18.3 HB2 LEU 42 - HD3 LYS 39 far 0 63 0 - 6.6-7.6 HB3 GLU 104 - HD2 LYS 68 far 0 73 0 - 6.9-19.8 HB3 LYS 66 - HD3 LYS 68 far 0 88 0 - 7.9-10.0 HB3 GLU 104 - HD2 LYS 94 far 0 36 0 - 8.3-20.5 HB3 LYS 66 - HD2 LYS 68 far 0 88 0 - 8.4-9.8 HB3 LYS 66 - HD2 LYS 39 far 0 80 0 - 8.5-11.2 HB2 LYS 12 - HD2 LYS 20 far 0 30 0 - 8.6-12.2 HG2 ARG 46 - HD3 LYS 39 far 0 86 0 - 8.7-11.7 HB ILE 93 - HD2 LYS 20 far 0 23 0 - 8.7-11.6 HB2 LYS 12 - HD3 LYS 20 far 0 34 0 - 8.7-13.0 HB3 LYS 66 - HD3 LYS 39 far 0 75 0 - 9.0-11.6 HB2 LEU 42 - HD2 LYS 47 far 0 29 0 - 9.1-11.8 HG2 ARG 46 - HD2 LYS 39 far 0 91 0 - 9.2-13.2 HB2 GLU 104 - HD2 LYS 94 far 0 39 0 - 9.2-19.9 HB3 LYS 39 - HD2 LYS 47 far 0 35 0 - 9.2-14.3 HB ILE 93 - HD3 LYS 20 far 0 26 0 - 9.2-11.1 HB3 LYS 12 - HD2 LYS 20 far 0 29 0 - 9.3-12.8 HB3 LYS 12 - HD3 LYS 20 far 0 33 0 - 9.5-13.8 HB2 GLU 88 - HD2 LYS 94 far 0 39 0 - 9.7-14.4 HB VAL 5 - HD2 LYS 94 far 0 46 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3057 from cnoeabs.peaks (1.87, 1.65, 29.52 ppm; 2.95 A): 8 out of 36 assignments used, quality = 1.00: HB3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.9-4.1 3.5=60, 1.8/3004=16...(75) * HB3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-4.2 3.5=60, 1.8/3004=16...(75) HB3 LYS 39 + HD2 LYS 39 OK 92 93 100 99 2.4-4.1 3.6=56, 1.8/1686=28...(42) HB3 LYS 39 + HD3 LYS 39 OK 87 89 100 98 2.3-3.6 3.6=56, 1.8/1687=28...(41) HB2 LYS 68 + HD3 LYS 68 OK 70 71 100 99 2.1-3.7 3.5=60, 3.0/2992=15...(76) HB2 LYS 68 + HD2 LYS 68 OK 70 71 100 99 2.0-3.8 3.5=60, 3.0/3055=14...(76) HB2 LYS 20 + HD3 LYS 20 OK 39 41 100 96 2.5-3.7 3.5=58, ~848=9...(62) HB2 LYS 20 + HD2 LYS 20 OK 35 36 100 96 2.4-3.6 3.5=58, ~848=9...(62) HB2 ARG 19 - HD2 LYS 20 poor 17 34 50 - 3.3-7.1 HB3 LYS 90 - HD2 LYS 94 poor 9 30 30 - 3.8-8.8 HB2 GLU 43 - HD2 LYS 47 far 4 25 15 - 4.0-7.7 HB2 ARG 19 - HD3 LYS 20 far 0 39 0 - 4.6-7.0 HB3 LYS 90 - HD2 LYS 20 far 0 21 0 - 5.3-8.5 HB3 LYS 90 - HD3 LYS 20 far 0 24 0 - 5.7-8.9 HG LEU 42 - HD3 LYS 39 far 0 72 0 - 6.3-8.4 HG LEU 42 - HD2 LYS 39 far 0 77 0 - 6.5-8.7 HB3 GLU 104 - HD3 LYS 68 far 0 100 0 - 6.6-18.3 HB2 GLU 43 - HD3 LYS 39 far 0 56 0 - 6.7-9.0 HB3 GLU 104 - HD2 LYS 68 far 0 100 0 - 6.9-19.8 HB2 GLU 43 - HD2 LYS 39 far 0 60 0 - 6.9-10.2 HB3 LYS 66 - HD3 LYS 68 far 0 99 0 - 7.9-10.0 HB3 GLU 104 - HD2 LYS 94 far 0 59 0 - 8.3-20.5 HB3 LYS 66 - HD2 LYS 68 far 0 99 0 - 8.4-9.8 HB3 LYS 66 - HD2 LYS 39 far 0 93 0 - 8.5-11.2 HB2 LYS 12 - HD2 LYS 20 far 0 41 0 - 8.6-12.2 HB2 LYS 12 - HD3 LYS 20 far 0 47 0 - 8.7-13.0 HB2 LYS 20 - HD2 LYS 94 far 0 50 0 - 9.0-12.1 HB3 LYS 66 - HD3 LYS 39 far 0 88 0 - 9.0-11.6 HB VAL 54 - HD3 LYS 68 far 0 97 0 - 9.0-12.3 HB3 LYS 39 - HD2 LYS 47 far 0 44 0 - 9.2-14.3 HB3 LEU 14 - HD3 LYS 20 far 0 30 0 - 9.2-11.8 HB3 LEU 14 - HD2 LYS 20 far 0 26 0 - 9.3-11.3 HB3 LYS 12 - HD2 LYS 20 far 0 42 0 - 9.3-12.8 HB3 LYS 12 - HD3 LYS 20 far 0 47 0 - 9.5-13.8 HB VAL 54 - HD2 LYS 68 far 0 97 0 - 9.8-13.1 HB VAL 5 - HD2 LYS 94 far 0 56 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3058 from cnoeabs.peaks (1.64, 1.65, 29.52 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 99 99 - 100 HD2 LYS 68 + HD2 LYS 68 OK 99 99 - 100 HD2 LYS 39 + HD2 LYS 39 OK 92 92 - 100 HD3 LYS 39 + HD3 LYS 39 OK 91 91 - 100 HD2 LYS 94 + HD2 LYS 94 OK 50 50 - 100 HD3 LYS 20 + HD3 LYS 20 OK 29 29 - 100 HD2 LYS 20 + HD2 LYS 20 OK 23 23 - 100 HD2 LYS 47 + HD2 LYS 47 OK 22 22 - 100 Reference assignment not found: HG2 LYS 68 - HD3 LYS 68 Peak 3059 from cnoeabs.peaks (1.35, 1.65, 29.52 ppm; 2.70 A): 6 out of 28 assignments used, quality = 1.00: * HG3 LYS 68 + HD3 LYS 68 OK 97 100 100 97 2.2-2.9 3.0=76, 3038/1.8=15...(68) HG3 LYS 68 + HD2 LYS 68 OK 97 100 100 97 2.2-2.9 3.0=76, 3038/1.8=15...(66) HG2 LYS 39 + HD2 LYS 39 OK 94 95 100 99 2.2-3.0 3.0=76, 1.8/1719=31...(63) HG2 LYS 39 + HD3 LYS 39 OK 90 91 100 99 2.2-3.0 3.0=76, 1.8/1720=31...(69) HG2 LYS 94 + HD2 LYS 94 OK 52 56 100 92 2.3-3.0 3.0=75, 2.9/4191=10...(29) HG3 LYS 94 + HD2 LYS 94 OK 33 36 100 92 2.2-3.0 3.0=75, 2.9/4191=10...(29) QB ALA 25 - HD2 LYS 94 poor 11 56 20 - 2.4-6.0 HB2 LEU 70 - HD2 LYS 39 far 0 84 0 - 4.4-7.3 HG3 LYS 40 - HD2 LYS 39 far 0 93 0 - 5.2-9.7 HB2 LEU 70 - HD3 LYS 39 far 0 79 0 - 5.2-6.6 QB ALA 67 - HD2 LYS 68 far 0 98 0 - 5.5-7.4 QB ALA 67 - HD3 LYS 68 far 0 98 0 - 5.6-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 100 0 - 6.7-9.1 QB ALA 89 - HD2 LYS 94 far 0 56 0 - 6.8-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 88 0 - 6.8-8.9 QB ALA 67 - HD2 LYS 39 far 0 92 0 - 6.9-9.0 QB ALA 67 - HD3 LYS 39 far 0 87 0 - 7.0-9.1 HG3 LYS 40 - HD2 LYS 47 far 0 44 0 - 7.2-11.5 QB ALA 89 - HD3 LYS 20 far 0 46 0 - 7.3-9.9 HB2 LEU 70 - HD2 LYS 68 far 0 92 0 - 7.5-9.5 QB ALA 89 - HD2 LYS 20 far 0 40 0 - 7.6-9.4 HG LEU 14 - HD2 LYS 20 far 0 42 0 - 8.2-10.4 HB2 LYS 82 - HD2 LYS 68 far 0 100 0 - 8.2-10.4 HB2 LEU 70 - HD3 LYS 68 far 0 92 0 - 8.4-9.6 HG LEU 14 - HD3 LYS 20 far 0 48 0 - 8.4-10.7 HB3 LEU 27 - HD2 LYS 94 far 0 58 0 - 8.7-11.7 QB ALA 25 - HD3 LYS 20 far 0 46 0 - 9.2-10.6 QB ALA 25 - HD2 LYS 20 far 0 40 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3060 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 95 95 - 100 HD3 LYS 39 + HD3 LYS 39 OK 88 88 - 100 HD2 LYS 94 + HD2 LYS 94 OK 40 40 - 100 HD3 LYS 20 + HD3 LYS 20 OK 38 38 - 100 HD2 LYS 47 + HD2 LYS 47 OK 31 31 - 100 HD2 LYS 20 + HD2 LYS 20 OK 31 31 - 100 Reference assignment not found: HD2 LYS 68 - HD3 LYS 68 Peak 3061 from cnoeabs.peaks (1.65, 1.65, 29.52 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HD3 LYS 68 + HD3 LYS 68 OK 100 100 - 100 HD2 LYS 68 + HD2 LYS 68 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 95 95 - 100 HD3 LYS 39 + HD3 LYS 39 OK 88 88 - 100 HD2 LYS 94 + HD2 LYS 94 OK 42 42 - 100 HD3 LYS 20 + HD3 LYS 20 OK 37 37 - 100 HD2 LYS 47 + HD2 LYS 47 OK 30 30 - 100 HD2 LYS 20 + HD2 LYS 20 OK 30 30 - 100 Peak 3062 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.88 A): 14 out of 36 assignments used, quality = 1.00: * HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=8...(76) HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.6-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 39 + HD2 LYS 39 OK 63 64 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE3 LYS 39 + HD3 LYS 39 OK 59 59 100 99 2.2-2.9 3.0=90, 3.5/1720=18...(34) HE3 LYS 94 + HD2 LYS 94 OK 58 59 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 94 + HD2 LYS 94 OK 55 56 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 39 + HD2 LYS 39 OK 52 52 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE2 LYS 39 + HD3 LYS 39 OK 48 49 100 99 2.2-3.0 3.0=90, 3.5/1720=18...(34) HE2 LYS 20 + HD3 LYS 20 OK 46 48 100 97 2.3-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD3 LYS 20 OK 46 48 100 97 2.4-3.0 3.0=89, 941/2.8=8...(48) HE2 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HG2 MET 21 - HD2 LYS 94 poor 14 38 60 59 2.8-7.2 ~12251=9, 8534/6.3=6...(23) HE3 LYS 73 - HD2 LYS 39 far 3 58 5 - 4.0-10.8 HE3 LYS 73 - HD3 LYS 39 far 3 54 5 - 4.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 0 30 0 - 4.4-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 43 0 - 5.5-11.9 HE3 LYS 90 - HD3 LYS 20 far 0 34 0 - 5.5-10.8 HE3 LYS 66 - HD3 LYS 39 far 0 89 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 89 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 27 0 - 6.4-9.7 HE3 LYS 66 - HD2 LYS 39 far 0 93 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 31 0 - 6.6-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 99 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 99 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 84 0 - 7.6-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 96 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 96 0 - 8.7-13.2 HE2 LYS 94 - HD2 LYS 20 far 0 40 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 46 0 - 9.4-14.0 HE2 LYS 20 - HD2 LYS 94 far 0 58 0 - 9.6-13.2 HE3 LYS 94 - HD3 LYS 20 far 0 48 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 65 0 - 9.7-12.7 HE2 LYS 39 - HD2 LYS 47 far 0 21 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 3063 from cnoeabs.peaks (2.91, 1.65, 29.52 ppm; 2.88 A): 14 out of 36 assignments used, quality = 1.00: * HE3 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 3.6/3038=8...(77) HE2 LYS 68 + HD3 LYS 68 OK 99 100 100 99 2.2-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.6-3.0 3.0=89, 4267/3.0=8...(76) HE2 LYS 68 + HD2 LYS 68 OK 99 100 100 99 2.3-3.0 3.0=89, 4267/3.0=8...(76) HE3 LYS 39 + HD2 LYS 39 OK 67 67 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE3 LYS 39 + HD3 LYS 39 OK 62 63 100 99 2.2-2.9 3.0=90, 3.5/1720=18...(34) HE3 LYS 94 + HD2 LYS 94 OK 58 58 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 39 + HD2 LYS 39 OK 56 56 100 99 2.2-3.0 3.0=90, 3.5/1719=18...(34) HE2 LYS 94 + HD2 LYS 94 OK 54 55 100 99 2.2-3.0 3.0=93, 4206/3.5=11...(44) HE2 LYS 39 + HD3 LYS 39 OK 52 52 100 99 2.2-3.0 3.0=90, 3.5/1720=18...(34) HE2 LYS 20 + HD3 LYS 20 OK 46 48 100 97 2.3-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD3 LYS 20 OK 46 47 100 97 2.4-3.0 3.0=89, 941/2.8=8...(48) HE2 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HE3 LYS 20 + HD2 LYS 20 OK 41 42 100 97 2.2-3.0 3.0=89, 941/2.8=8...(48) HG2 MET 21 - HD2 LYS 94 poor 13 36 60 58 2.8-7.2 ~12251=9, ~12253=6...(23) HE3 LYS 73 - HD2 LYS 39 far 3 54 5 - 4.0-10.8 HE3 LYS 73 - HD3 LYS 39 far 3 50 5 - 4.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 0 29 0 - 4.4-9.9 HE3 LYS 90 - HD2 LYS 94 far 0 40 0 - 5.5-11.9 HE3 LYS 90 - HD3 LYS 20 far 0 33 0 - 5.5-10.8 HE3 LYS 66 - HD3 LYS 39 far 0 90 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 91 0 - 6.3-10.6 HG2 MET 21 - HD2 LYS 20 far 0 25 0 - 6.4-9.7 HE3 LYS 66 - HD2 LYS 39 far 0 94 0 - 6.5-11.3 HG2 MET 21 - HD3 LYS 20 far 0 29 0 - 6.6-9.1 HE3 LYS 66 - HD2 LYS 68 far 0 100 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 100 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 86 0 - 7.6-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 98 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 98 0 - 8.7-13.2 HE2 LYS 94 - HD2 LYS 20 far 0 39 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 45 0 - 9.4-14.0 HE2 LYS 20 - HD2 LYS 94 far 0 58 0 - 9.6-13.2 HE3 LYS 94 - HD3 LYS 20 far 0 48 0 - 9.7-14.2 HE3 LYS 73 - HD2 LYS 68 far 0 61 0 - 9.7-12.7 HE2 LYS 39 - HD2 LYS 47 far 0 23 0 - 9.8-17.6 Violated in 0 structures by 0.00 A. Peak 3064 from cnoeabs.peaks (7.90, 1.65, 29.52 ppm; 4.93 A): 4 out of 10 assignments used, quality = 1.00: * H GLU 69 + HD3 LYS 68 OK 100 100 100 100 4.5-6.2 3008/3.5=61, 7125/3.5=51...(25) H GLU 69 + HD2 LYS 68 OK 100 100 100 100 4.4-5.1 3008/3.5=61, 7125/3.5=51...(25) H ASP 65 + HD3 LYS 68 OK 70 94 75 100 4.9-7.9 7052/10242=45...(30) H ASP 65 + HD2 LYS 68 OK 42 94 45 100 5.7-8.2 3020/3.5=37, ~10268=36...(28) H GLN 72 - HD2 LYS 68 poor 20 100 20 - 4.5-7.6 H GLN 72 - HD3 LYS 68 far 5 100 5 - 5.8-8.0 H GLN 72 - HD2 LYS 39 far 0 94 0 - 8.1-11.4 H GLU 69 - HD2 LYS 39 far 0 95 0 - 8.2-11.3 H GLU 69 - HD3 LYS 39 far 0 91 0 - 8.6-11.1 H GLN 72 - HD3 LYS 39 far 0 90 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 3065 from cnoeabs.peaks (8.19, 2.91, 41.80 ppm; 5.77 A): 6 out of 16 assignments used, quality = 1.00: * H LYS 68 + HE2 LYS 68 OK 100 100 100 100 4.9-6.7 3021/3.6=89, 2998/5.0=63...(23) H LYS 68 + HE3 LYS 68 OK 100 100 100 100 4.7-6.5 3021/3.6=89, 2998/5.0=63...(23) H LYS 68 + HE3 LYS 66 OK 63 98 70 91 5.7-7.6 10774/6.1=52...(12) H LYS 68 + HE2 LYS 66 OK 45 92 55 90 6.2-8.2 10774/6.1=52...(11) H ASP 36 + HE3 LYS 66 OK 32 98 60 54 5.4-9.7 4.7/10530=19...(9) H ASP 36 + HE2 LYS 66 OK 26 92 55 52 5.6-10.0 4.7/10530=16...(9) H PHE 96 - HE2 LYS 94 poor 20 78 25 - 6.9-8.7 H PHE 96 - HE3 LYS 94 poor 15 84 30 59 6.9-9.0 7522/7.3=39, 7549/6.0=30 H HIS 106 - HE2 LYS 68 far 11 73 15 - 4.9-18.8 H HIS 106 - HE3 LYS 68 far 7 73 10 - 6.0-18.0 H GLU 104 - HE2 LYS 68 far 4 77 5 - 5.0-15.7 H GLU 104 - HE3 LYS 68 far 4 77 5 - 4.2-17.4 H SER 97 - HE2 LYS 94 far 4 72 5 - 7.2-9.3 H SER 97 - HE3 LYS 94 far 0 77 0 - 7.5-9.1 H GLU 104 - HE3 LYS 94 far 0 77 0 - 8.1-19.3 H GLU 104 - HE2 LYS 94 far 0 72 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 3067 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 3.46 A): 8 out of 46 assignments used, quality = 1.00: * HB2 LYS 68 + HE2 LYS 68 OK 99 100 100 99 3.1-4.5 5.0=33, 3004/3.0=14...(71) HB2 LYS 68 + HE3 LYS 68 OK 99 100 100 99 2.6-4.3 5.0=33, 3004/3.0=14...(71) HB3 LYS 66 + HE3 LYS 66 OK 84 84 100 99 3.4-4.6 4.7=39, 2904/2.9=33...(43) HB3 LYS 68 + HE3 LYS 68 OK 70 71 100 98 2.8-4.4 5.0=33, 2.9/4267=13...(67) HB3 LYS 68 + HE2 LYS 68 OK 67 71 95 98 2.9-5.0 5.0=33, 2.9/4267=13...(67) HB3 LYS 90 + HE3 LYS 90 OK 66 68 100 97 3.6-4.8 4.8=37, 3941/3.0=27...(31) HB3 LYS 66 + HE2 LYS 66 OK 53 76 70 99 3.3-5.1 4.7=39, 2904/2.9=33...(43) HB2 LYS 90 + HE3 LYS 90 OK 49 50 100 97 3.8-4.4 4.8=37, 2.8/4005=23...(37) HB2 LYS 90 - HE2 LYS 94 far 12 78 15 - 4.3-9.3 HB3 LYS 90 - HE3 LYS 94 far 5 100 5 - 4.9-8.0 HB3 LYS 90 - HE2 LYS 94 far 5 97 5 - 4.7-8.2 HB2 GLU 104 - HE2 LYS 68 far 4 79 5 - 4.4-15.8 HB2 GLU 104 - HE3 LYS 68 far 4 79 5 - 3.7-17.2 HB2 LYS 90 - HE3 LYS 94 far 0 84 0 - 5.3-9.7 HB3 GLU 104 - HE3 LYS 68 far 0 73 0 - 5.3-18.3 HB3 GLU 104 - HE2 LYS 68 far 0 73 0 - 5.9-17.0 HB ILE 93 - HE2 LYS 94 far 0 63 0 - 5.9-7.2 HB ILE 93 - HE3 LYS 94 far 0 67 0 - 5.9-7.4 HB3 LYS 90 - HE2 LYS 20 far 0 100 0 - 6.1-10.1 HB2 LYS 90 - HE2 LYS 20 far 0 84 0 - 6.2-11.4 HB3 LYS 68 - HE3 LYS 66 far 0 67 0 - 6.2-9.1 HB2 LYS 90 - HE3 LYS 20 far 0 83 0 - 6.3-10.5 HB3 LYS 39 - HE3 LYS 66 far 0 83 0 - 6.5-12.1 HB3 LYS 90 - HE3 LYS 20 far 0 100 0 - 6.8-9.1 HB3 GLU 104 - HE3 LYS 94 far 0 73 0 - 7.0-21.0 HB2 GLU 104 - HE3 LYS 94 far 0 79 0 - 7.1-20.3 HB2 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.2-10.6 HB ILE 93 - HE3 LYS 90 far 0 39 0 - 7.2-9.0 HB2 GLU 88 - HE3 LYS 90 far 0 47 0 - 7.4-10.9 HB3 LYS 68 - HE2 LYS 66 far 0 60 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 88 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 75 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 88 0 - 7.7-11.0 HB2 LYS 12 - HE3 LYS 20 far 0 83 0 - 8.1-12.2 HB2 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.3-10.7 HB3 GLU 104 - HE2 LYS 94 far 0 68 0 - 8.7-20.8 HB2 GLU 104 - HE2 LYS 94 far 0 74 0 - 8.8-19.9 HB3 LYS 12 - HE3 LYS 20 far 0 80 0 - 9.1-13.0 HB2 GLU 88 - HE2 LYS 94 far 0 74 0 - 9.2-14.8 HB2 GLU 88 - HE3 LYS 94 far 0 79 0 - 9.4-14.6 HB ILE 93 - HE2 LYS 20 far 0 67 0 - 9.6-11.6 HB ILE 93 - HE3 LYS 20 far 0 67 0 - 9.6-11.5 HB2 LEU 42 - HE3 LYS 66 far 0 71 0 - 9.7-13.8 HB2 LYS 12 - HE2 LYS 20 far 0 84 0 - 9.7-13.0 HB VAL 5 - HE3 LYS 20 far 0 88 0 - 9.7-12.9 HB3 LEU 57 - HE3 LYS 90 far 0 63 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3068 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 3.48 A): 9 out of 42 assignments used, quality = 1.00: HB3 LYS 68 + HE3 LYS 68 OK 98 100 100 98 2.8-4.4 5.0=34, 3018/1.8=13...(67) HB3 LYS 66 + HE3 LYS 66 OK 96 96 100 100 3.4-4.6 4.7=40, 2904/2.9=40...(43) * HB3 LYS 68 + HE2 LYS 68 OK 94 100 95 98 2.9-5.0 5.0=34, 3018/1.8=13...(67) HB2 LYS 20 + HE2 LYS 20 OK 92 94 100 98 1.9-3.5 4.7=40, 4.0/6313=14...(89) HB2 LYS 20 + HE3 LYS 20 OK 92 94 100 98 1.9-3.6 4.7=40, 4.0/6313=14...(89) HB2 LYS 68 + HE2 LYS 68 OK 70 71 100 98 3.1-4.5 5.0=34, 1.8/3018=13...(71) HB2 LYS 68 + HE3 LYS 68 OK 70 71 100 98 2.6-4.3 5.0=34, 1.8/3018=13...(71) HB3 LYS 66 + HE2 LYS 66 OK 62 89 70 100 3.3-5.1 4.7=40, 2904/2.9=40...(43) HB3 LYS 90 + HE3 LYS 90 OK 34 36 100 96 3.6-4.8 4.8=37, 2.8/4005=23...(31) HB2 ARG 19 - HE3 LYS 20 poor 17 90 50 38 2.6-8.0 4.1/6313=14, 788/6.3=5...(10) HB2 ARG 19 - HE2 LYS 20 poor 17 91 50 37 3.6-7.8 4.1/6313=14, 788/6.3=5...(10) HB3 LYS 90 - HE2 LYS 94 far 6 59 10 - 4.7-8.2 HB3 LYS 90 - HE3 LYS 94 far 3 63 5 - 4.9-8.0 HB3 GLU 104 - HE3 LYS 68 far 0 100 0 - 5.3-18.3 HB3 GLU 104 - HE2 LYS 68 far 0 100 0 - 5.9-17.0 HB3 LYS 90 - HE2 LYS 20 far 0 63 0 - 6.1-10.1 HB3 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.2-9.1 HB3 LEU 14 - HE3 LYS 90 far 0 44 0 - 6.2-11.2 HB3 LYS 39 - HE3 LYS 66 far 0 96 0 - 6.5-12.1 HB3 LYS 90 - HE3 LYS 20 far 0 63 0 - 6.8-9.1 HB3 GLU 104 - HE3 LYS 94 far 0 100 0 - 7.0-21.0 HB2 LYS 68 - HE3 LYS 66 far 0 67 0 - 7.2-10.6 HB3 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 90 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 99 0 - 7.7-11.0 HB2 LYS 20 - HE3 LYS 90 far 0 59 0 - 7.9-10.8 HB2 LYS 12 - HE3 LYS 20 far 0 99 0 - 8.1-12.2 HB2 LYS 68 - HE2 LYS 66 far 0 60 0 - 8.3-10.7 HB2 ARG 19 - HE3 LYS 90 far 0 56 0 - 8.3-11.7 HB3 GLU 104 - HE2 LYS 94 far 0 97 0 - 8.7-20.8 HB ILE 8 - HE2 LYS 66 far 0 75 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 83 0 - 8.8-11.5 HB3 LYS 12 - HE3 LYS 20 far 0 100 0 - 9.1-13.0 HB3 LEU 14 - HE3 LYS 20 far 0 75 0 - 9.2-12.8 HG LEU 42 - HE3 LYS 66 far 0 81 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 73 0 - 9.4-14.1 HB2 LYS 12 - HE2 LYS 20 far 0 100 0 - 9.7-13.0 HB2 LYS 20 - HE3 LYS 94 far 0 94 0 - 9.7-13.6 HB VAL 54 - HE3 LYS 68 far 0 97 0 - 9.7-13.5 HB VAL 5 - HE3 LYS 20 far 0 99 0 - 9.7-12.9 HB2 LYS 20 - HE2 LYS 94 far 0 89 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 3069 from cnoeabs.peaks (1.64, 2.91, 41.80 ppm; 2.69 A): 14 out of 40 assignments used, quality = 1.00: HD3 LYS 68 + HE3 LYS 68 OK 93 99 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(60) HD3 LYS 68 + HE2 LYS 68 OK 93 99 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(59) HD2 LYS 68 + HE2 LYS 68 OK 93 99 100 94 2.3-3.0 3.0=73, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 93 99 100 94 2.6-3.0 3.0=73, 3.0/4267=7...(59) HG2 LYS 68 + HE3 LYS 68 OK 91 100 100 91 2.0-4.0 3.6=42, 1.8/4267=9...(62) HD2 LYS 94 + HE3 LYS 94 OK 87 94 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(33) HD2 LYS 94 + HE2 LYS 94 OK 82 89 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(32) * HG2 LYS 68 + HE2 LYS 68 OK 77 100 85 91 2.0-4.2 3.6=42, 1.8/4267=9...(62) HG3 LYS 20 + HE2 LYS 20 OK 65 73 100 89 2.4-3.8 3.6=43, 1.8/941=9...(50) HG3 LYS 20 + HE3 LYS 20 OK 65 73 100 89 2.5-4.1 3.6=43, 1.8/941=9...(50) HD3 LYS 20 + HE2 LYS 20 OK 63 73 100 87 2.3-3.0 3.0=73, 2.8/941=7...(33) HD3 LYS 20 + HE3 LYS 20 OK 63 73 100 87 2.4-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE2 LYS 20 OK 58 67 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE3 LYS 20 OK 58 67 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 - HE3 LYS 90 far 0 39 0 - 4.4-9.9 HG3 LYS 20 - HE3 LYS 90 far 0 43 0 - 5.1-10.9 HD2 LYS 94 - HE3 LYS 90 far 0 59 0 - 5.5-11.9 HD3 LYS 20 - HE3 LYS 90 far 0 43 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 81 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 73 0 - 5.6-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 98 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 98 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 98 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 88 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 95 0 - 6.5-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 76 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 84 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 96 0 - 7.3-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 96 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 92 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 73 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 68 0 - 7.6-14.0 HD2 LYS 68 - HE2 LYS 66 far 0 89 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 90 0 - 8.7-13.2 HD2 LYS 20 - HE2 LYS 94 far 0 63 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 68 0 - 9.4-14.0 HD2 LYS 94 - HE2 LYS 20 far 0 94 0 - 9.6-13.2 HD3 LYS 20 - HE3 LYS 94 far 0 73 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3070 from cnoeabs.peaks (1.35, 2.91, 41.80 ppm; 3.48 A): 6 out of 38 assignments used, quality = 1.00: * HG3 LYS 68 + HE2 LYS 68 OK 100 100 100 100 2.0-4.2 3.6=90, 3033/6.3=17...(77) HG3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.0-4.0 3.6=90, 3033/6.3=17...(77) HG2 LYS 94 + HE3 LYS 94 OK 97 99 100 98 2.0-3.8 3.9=72, 2.9/4206=19...(46) HG2 LYS 94 + HE2 LYS 94 OK 93 95 100 98 2.1-4.0 3.9=72, 2.9/4206=19...(47) HG3 LYS 94 + HE3 LYS 94 OK 72 73 100 98 2.0-3.9 3.9=72, 2.9/4206=19...(46) HG3 LYS 94 + HE2 LYS 94 OK 67 68 100 98 2.3-3.9 3.9=72, 2.9/4206=19...(46) QB ALA 25 - HE3 LYS 94 far 10 99 10 - 4.1-8.3 QB ALA 25 - HE2 LYS 94 poor 10 95 25 40 2.8-7.7 10334/6.0=11, 4189/4.8=9...(9) QB ALA 89 - HE3 LYS 90 far 7 65 10 - 4.4-7.0 HB2 LEU 70 - HE3 LYS 66 far 4 88 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 0 80 0 - 5.1-9.9 HG LEU 14 - HE3 LYS 90 far 0 68 0 - 5.2-9.4 QB ALA 67 - HE3 LYS 66 far 0 95 0 - 5.4-6.6 QB ALA 67 - HE2 LYS 66 far 0 88 0 - 5.5-7.4 QB ALA 67 - HE3 LYS 68 far 0 98 0 - 6.6-7.7 QB ALA 67 - HE2 LYS 68 far 0 98 0 - 6.7-8.0 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 7.1-10.4 HG3 LYS 94 - HE3 LYS 90 far 0 43 0 - 7.1-11.2 HG2 LYS 94 - HE3 LYS 90 far 0 65 0 - 7.2-12.6 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 7.4-10.5 HG2 LYS 39 - HE2 LYS 66 far 0 91 0 - 7.5-11.7 QB ALA 89 - HE2 LYS 94 far 0 95 0 - 7.7-10.4 HG3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.7-11.3 HG2 LYS 39 - HE3 LYS 66 far 0 98 0 - 7.8-11.9 QB ALA 89 - HE3 LYS 20 far 0 99 0 - 7.9-10.3 QB ALA 89 - HE3 LYS 94 far 0 99 0 - 8.2-10.8 HG LEU 14 - HE3 LYS 20 far 0 100 0 - 8.2-11.6 QB ALA 89 - HE2 LYS 20 far 0 99 0 - 8.4-9.9 QB ALA 25 - HE2 LYS 20 far 0 99 0 - 8.8-10.1 QB ALA 25 - HE3 LYS 20 far 0 99 0 - 8.9-10.4 HG3 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.9-11.6 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 9.0-10.9 QB ALA 25 - HE3 LYS 90 far 0 65 0 - 9.1-11.4 HG LEU 14 - HE2 LYS 20 far 0 100 0 - 9.1-11.2 HG12 ILE 8 - HE2 LYS 66 far 0 86 0 - 9.1-13.2 HG12 ILE 8 - HE3 LYS 66 far 0 94 0 - 9.4-12.2 HB2 LEU 70 - HE2 LYS 68 far 0 92 0 - 9.5-11.3 HB3 LEU 27 - HE2 LYS 94 far 0 97 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 3071 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.69 A): 14 out of 43 assignments used, quality = 1.00: HD3 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(60) HD3 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=7...(60) * HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.3-3.0 3.0=73, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.6-3.0 3.0=73, 3.0/4267=7...(59) HG2 LYS 68 + HE3 LYS 68 OK 90 99 100 91 2.0-4.0 3.6=42, 1.8/4267=9...(62) HG3 LYS 20 + HE2 LYS 20 OK 79 89 100 89 2.4-3.8 3.6=43, 1.8/941=9...(51) HG3 LYS 20 + HE3 LYS 20 OK 79 89 100 89 2.5-4.1 3.6=43, 1.8/941=9...(51) HD3 LYS 20 + HE2 LYS 20 OK 78 89 100 87 2.3-3.0 3.0=73, 2.8/941=7...(33) HD3 LYS 20 + HE3 LYS 20 OK 77 89 100 87 2.4-3.0 3.0=73, 2.8/941=7...(33) HG2 LYS 68 + HE2 LYS 68 OK 76 99 85 91 2.0-4.2 3.6=42, 1.8/4267=9...(62) HD2 LYS 94 + HE3 LYS 94 OK 74 81 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(33) HD2 LYS 20 + HE2 LYS 20 OK 74 85 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE3 LYS 20 OK 74 85 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 94 + HE2 LYS 94 OK 69 75 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(32) HB3 ARG 91 - HE2 LYS 94 lone 7 72 50 20 2.8-9.1 ~4242=2, 3.0/12238=2...(8) HB3 ARG 91 - HE3 LYS 94 lone 5 77 35 20 2.9-8.3 ~4242=2, 3.0/12238=2...(8) HD2 LYS 20 - HE3 LYS 90 far 0 52 0 - 4.4-9.9 HG3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.1-10.9 HD2 LYS 94 - HE3 LYS 90 far 0 48 0 - 5.5-11.9 HD3 LYS 20 - HE3 LYS 90 far 0 55 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 85 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 45 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 96 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 95 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 92 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 98 0 - 6.5-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 87 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 89 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.3-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 88 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 89 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 84 0 - 7.6-14.0 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.7-13.2 HD2 LYS 20 - HE2 LYS 94 far 0 80 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 84 0 - 9.4-14.0 HD2 LYS 94 - HE2 LYS 20 far 0 80 0 - 9.6-13.2 HD3 LYS 20 - HE3 LYS 94 far 0 89 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3072 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.69 A): 14 out of 43 assignments used, quality = 1.00: * HD3 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(60) HD3 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=7...(60) HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.3-3.0 3.0=73, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.6-3.0 3.0=73, 3.0/4267=7...(59) HG2 LYS 68 + HE3 LYS 68 OK 90 99 100 91 2.0-4.0 3.6=42, 1.8/4267=9...(62) HG3 LYS 20 + HE2 LYS 20 OK 78 88 100 89 2.4-3.8 3.6=43, 1.8/941=9...(51) HG3 LYS 20 + HE3 LYS 20 OK 78 88 100 89 2.5-4.1 3.6=43, 1.8/941=9...(51) HG2 LYS 68 + HE2 LYS 68 OK 77 99 85 91 2.0-4.2 3.6=42, 1.8/4267=9...(62) HD3 LYS 20 + HE2 LYS 20 OK 76 88 100 87 2.3-3.0 3.0=73, 2.8/941=7...(33) HD3 LYS 20 + HE3 LYS 20 OK 76 88 100 87 2.4-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 94 + HE3 LYS 94 OK 76 82 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(33) HD2 LYS 20 + HE2 LYS 20 OK 73 84 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE3 LYS 20 OK 73 83 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 94 + HE2 LYS 94 OK 71 77 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(32) HB3 ARG 91 - HE2 LYS 94 lone 7 70 50 20 2.8-9.1 ~4242=2, 3.0/12238=2...(8) HB3 ARG 91 - HE3 LYS 94 lone 5 75 35 20 2.9-8.3 ~4242=2, 3.0/12238=2...(8) HD2 LYS 20 - HE3 LYS 90 far 0 50 0 - 4.4-9.9 HG3 LYS 20 - HE3 LYS 90 far 0 54 0 - 5.1-10.9 HD2 LYS 94 - HE3 LYS 90 far 0 49 0 - 5.5-11.9 HD3 LYS 20 - HE3 LYS 90 far 0 54 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 92 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 84 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 44 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 96 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 96 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 92 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 98 0 - 6.5-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 86 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 94 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 90 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.3-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 89 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 88 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 83 0 - 7.6-14.0 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.7-13.2 HD2 LYS 20 - HE2 LYS 94 far 0 78 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 83 0 - 9.4-14.0 HD2 LYS 94 - HE2 LYS 20 far 0 82 0 - 9.6-13.2 HD3 LYS 20 - HE3 LYS 94 far 0 88 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3073 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE3 LYS 66 + HE3 LYS 66 OK 96 96 - 100 HE2 LYS 94 + HE2 LYS 94 OK 95 95 - 100 HE2 LYS 66 + HE2 LYS 66 OK 85 85 - 100 HE3 LYS 90 + HE3 LYS 90 OK 50 50 - 100 Peak 3074 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 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 66 + HE3 LYS 66 OK 97 97 - 100 HE2 LYS 94 + HE2 LYS 94 OK 94 94 - 100 HE2 LYS 66 + HE2 LYS 66 OK 87 87 - 100 HE3 LYS 90 + HE3 LYS 90 OK 48 48 - 100 Reference assignment not found: HE3 LYS 68 - HE2 LYS 68 Peak 3075 from cnoeabs.peaks (7.90, 2.91, 41.80 ppm; 6.05 A): 9 out of 12 assignments used, quality = 1.00: * H GLU 69 + HE2 LYS 68 OK 100 100 100 100 4.5-7.2 3008/5.0=62, 7122/7.2=53...(16) H GLU 69 + HE3 LYS 68 OK 100 100 100 100 4.2-6.7 3008/5.0=62, 7122/7.2=53...(17) H GLU 69 + HE3 LYS 66 OK 91 98 95 98 4.7-7.6 7119/6.1=65, 9537/3.6=38...(16) H GLU 69 + HE2 LYS 66 OK 76 92 85 97 5.3-8.1 7119/6.1=65, 9537/3.6=38...(15) H ASP 65 + HE3 LYS 68 OK 65 94 70 99 4.6-8.1 10773/7.2=41...(18) H ASP 65 + HE2 LYS 68 OK 56 94 60 99 4.5-8.2 10773/7.2=41...(18) H ASP 65 + HE3 LYS 66 OK 47 90 55 94 4.8-8.5 7057/7.2=49, 9492/4.7=33...(11) H ASP 65 + HE2 LYS 66 OK 46 82 60 93 5.6-8.7 7057/7.2=49, 9492/4.7=33...(11) H GLN 72 + HE3 LYS 68 OK 31 100 40 79 6.1-9.1 3042/3.6=29, 2996/6.3=28...(7) H GLN 72 - HE2 LYS 68 poor 20 100 20 - 6.4-9.2 H GLN 72 - HE2 LYS 66 far 0 91 0 - 8.0-12.6 H GLN 72 - HE3 LYS 66 far 0 97 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 3076 from cnoeabs.peaks (8.19, 2.91, 41.80 ppm; 5.77 A): 6 out of 16 assignments used, quality = 1.00: * H LYS 68 + HE3 LYS 68 OK 100 100 100 100 4.7-6.5 3021/3.6=89, 2998/5.0=63...(23) H LYS 68 + HE2 LYS 68 OK 100 100 100 100 4.9-6.7 3021/3.6=89, 2998/5.0=63...(23) H LYS 68 + HE3 LYS 66 OK 63 99 70 91 5.7-7.6 10774/6.1=52...(12) H LYS 68 + HE2 LYS 66 OK 47 95 55 90 6.2-8.2 10774/6.1=52...(11) H ASP 36 + HE3 LYS 66 OK 32 99 60 55 5.4-9.7 4.7/10530=19...(9) H ASP 36 + HE2 LYS 66 OK 27 94 55 53 5.6-10.0 4.7/10530=16...(9) H PHE 96 - HE2 LYS 94 poor 19 76 25 - 6.9-8.7 H PHE 96 - HE3 LYS 94 poor 15 83 30 59 6.9-9.0 7522/7.3=39, 7549/6.0=30 H HIS 106 - HE2 LYS 68 far 11 73 15 - 4.9-18.8 H HIS 106 - HE3 LYS 68 far 7 73 10 - 6.0-18.0 H GLU 104 - HE3 LYS 68 far 4 77 5 - 4.2-17.4 H GLU 104 - HE2 LYS 68 far 4 77 5 - 5.0-15.7 H SER 97 - HE2 LYS 94 far 3 70 5 - 7.2-9.3 H SER 97 - HE3 LYS 94 far 0 77 0 - 7.5-9.1 H GLU 104 - HE3 LYS 94 far 0 77 0 - 8.1-19.3 H GLU 104 - HE2 LYS 94 far 0 70 0 - 9.6-19.0 Violated in 0 structures by 0.00 A. Peak 3078 from cnoeabs.peaks (1.84, 2.91, 41.80 ppm; 3.46 A): 8 out of 46 assignments used, quality = 1.00: * HB2 LYS 68 + HE3 LYS 68 OK 99 100 100 99 2.6-4.3 5.0=33, 3004/3.0=14...(71) HB2 LYS 68 + HE2 LYS 68 OK 99 100 100 99 3.1-4.5 5.0=33, 3004/3.0=14...(71) HB3 LYS 66 + HE3 LYS 66 OK 85 86 100 100 3.4-4.6 4.7=39, 2904/2.9=33...(43) HB3 LYS 68 + HE3 LYS 68 OK 70 71 100 98 2.8-4.4 5.0=33, 2.9/4267=13...(67) HB3 LYS 68 + HE2 LYS 68 OK 66 71 95 98 2.9-5.0 5.0=33, 2.9/4267=13...(67) HB3 LYS 90 + HE3 LYS 90 OK 60 62 100 97 3.6-4.8 4.8=37, 3941/3.0=27...(31) HB3 LYS 66 + HE2 LYS 66 OK 55 79 70 100 3.3-5.1 4.7=39, 2904/2.9=33...(43) HB2 LYS 90 + HE3 LYS 90 OK 45 46 100 97 3.8-4.4 4.8=37, 3941/3.0=21...(37) HB2 LYS 90 - HE2 LYS 94 far 11 76 15 - 4.3-9.3 HB3 LYS 90 - HE3 LYS 94 far 5 100 5 - 4.9-8.0 HB3 LYS 90 - HE2 LYS 94 far 5 95 5 - 4.7-8.2 HB2 GLU 104 - HE3 LYS 68 far 4 79 5 - 3.7-17.2 HB2 GLU 104 - HE2 LYS 68 far 4 79 5 - 4.4-15.8 HB2 LYS 90 - HE3 LYS 94 far 0 83 0 - 5.3-9.7 HB3 GLU 104 - HE3 LYS 68 far 0 73 0 - 5.3-18.3 HB3 GLU 104 - HE2 LYS 68 far 0 73 0 - 5.9-17.0 HB ILE 93 - HE2 LYS 94 far 0 60 0 - 5.9-7.2 HB ILE 93 - HE3 LYS 94 far 0 67 0 - 5.9-7.4 HB3 LYS 90 - HE2 LYS 20 far 0 100 0 - 6.1-10.1 HB2 LYS 90 - HE2 LYS 20 far 0 83 0 - 6.2-11.4 HB3 LYS 68 - HE3 LYS 66 far 0 69 0 - 6.2-9.1 HB2 LYS 90 - HE3 LYS 20 far 0 83 0 - 6.3-10.5 HB3 LYS 39 - HE3 LYS 66 far 0 84 0 - 6.5-12.1 HB3 LYS 90 - HE3 LYS 20 far 0 99 0 - 6.8-9.1 HB3 GLU 104 - HE3 LYS 94 far 0 73 0 - 7.0-21.0 HB2 GLU 104 - HE3 LYS 94 far 0 78 0 - 7.1-20.3 HB2 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.2-10.6 HB ILE 93 - HE3 LYS 90 far 0 35 0 - 7.2-9.0 HB2 GLU 88 - HE3 LYS 90 far 0 42 0 - 7.4-10.9 HB3 LYS 68 - HE2 LYS 66 far 0 63 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 88 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 78 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 88 0 - 7.7-11.0 HB2 LYS 12 - HE3 LYS 20 far 0 83 0 - 8.1-12.2 HB2 LYS 68 - HE2 LYS 66 far 0 95 0 - 8.3-10.7 HB3 GLU 104 - HE2 LYS 94 far 0 66 0 - 8.7-20.8 HB2 GLU 104 - HE2 LYS 94 far 0 71 0 - 8.8-19.9 HB3 LYS 12 - HE3 LYS 20 far 0 79 0 - 9.1-13.0 HB2 GLU 88 - HE2 LYS 94 far 0 71 0 - 9.2-14.8 HB2 GLU 88 - HE3 LYS 94 far 0 78 0 - 9.4-14.6 HB ILE 93 - HE2 LYS 20 far 0 67 0 - 9.6-11.6 HB ILE 93 - HE3 LYS 20 far 0 66 0 - 9.6-11.5 HB2 LEU 42 - HE3 LYS 66 far 0 73 0 - 9.7-13.8 HB2 LYS 12 - HE2 LYS 20 far 0 83 0 - 9.7-13.0 HB VAL 5 - HE3 LYS 20 far 0 87 0 - 9.7-12.9 HB3 LEU 57 - HE3 LYS 90 far 0 58 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3079 from cnoeabs.peaks (1.87, 2.91, 41.80 ppm; 3.48 A): 9 out of 42 assignments used, quality = 1.00: * HB3 LYS 68 + HE3 LYS 68 OK 98 100 100 98 2.8-4.4 5.0=34, 3018/1.8=13...(67) HB3 LYS 66 + HE3 LYS 66 OK 97 97 100 100 3.4-4.6 4.7=40, 2904/2.9=40...(43) HB3 LYS 68 + HE2 LYS 68 OK 94 100 95 98 2.9-5.0 5.0=34, 3018/1.8=13...(67) HB2 LYS 20 + HE2 LYS 20 OK 91 93 100 98 1.9-3.5 4.7=40, 4.0/6313=14...(89) HB2 LYS 20 + HE3 LYS 20 OK 91 93 100 98 1.9-3.6 4.7=40, 4.0/6313=14...(89) HB2 LYS 68 + HE3 LYS 68 OK 70 71 100 98 2.6-4.3 5.0=34, 1.8/3018=13...(71) HB2 LYS 68 + HE2 LYS 68 OK 70 71 100 98 3.1-4.5 5.0=34, 1.8/3018=13...(71) HB3 LYS 66 + HE2 LYS 66 OK 64 92 70 100 3.3-5.1 4.7=40, 2904/2.9=40...(43) HB3 LYS 90 + HE3 LYS 90 OK 31 33 100 96 3.6-4.8 4.8=37, 2.8/4005=20...(31) HB2 ARG 19 - HE3 LYS 20 poor 17 89 50 38 2.6-8.0 4.1/6313=14, 788/6.3=5...(10) HB2 ARG 19 - HE2 LYS 20 poor 17 90 50 37 3.6-7.8 4.1/6313=14, 788/6.3=5...(10) HB3 LYS 90 - HE2 LYS 94 far 6 57 10 - 4.7-8.2 HB3 LYS 90 - HE3 LYS 94 far 3 63 5 - 4.9-8.0 HB3 GLU 104 - HE3 LYS 68 far 0 100 0 - 5.3-18.3 HB3 GLU 104 - HE2 LYS 68 far 0 100 0 - 5.9-17.0 HB3 LYS 90 - HE2 LYS 20 far 0 63 0 - 6.1-10.1 HB3 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.2-9.1 HB3 LEU 14 - HE3 LYS 90 far 0 40 0 - 6.2-11.2 HB3 LYS 39 - HE3 LYS 66 far 0 98 0 - 6.5-12.1 HB3 LYS 90 - HE3 LYS 20 far 0 62 0 - 6.8-9.1 HB3 GLU 104 - HE3 LYS 94 far 0 100 0 - 7.0-21.0 HB2 LYS 68 - HE3 LYS 66 far 0 69 0 - 7.2-10.6 HB3 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.4-9.2 HB3 LYS 66 - HE3 LYS 68 far 0 99 0 - 7.6-10.4 HB3 LYS 39 - HE2 LYS 66 far 0 92 0 - 7.6-13.5 HB3 LYS 66 - HE2 LYS 68 far 0 99 0 - 7.7-11.0 HB2 LYS 20 - HE3 LYS 90 far 0 54 0 - 7.9-10.8 HB2 LYS 12 - HE3 LYS 20 far 0 99 0 - 8.1-12.2 HB2 LYS 68 - HE2 LYS 66 far 0 63 0 - 8.3-10.7 HB2 ARG 19 - HE3 LYS 90 far 0 51 0 - 8.3-11.7 HB3 GLU 104 - HE2 LYS 94 far 0 96 0 - 8.7-20.8 HB ILE 8 - HE2 LYS 66 far 0 78 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 84 0 - 8.8-11.5 HB3 LYS 12 - HE3 LYS 20 far 0 99 0 - 9.1-13.0 HB3 LEU 14 - HE3 LYS 20 far 0 74 0 - 9.2-12.8 HG LEU 42 - HE3 LYS 66 far 0 83 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 76 0 - 9.4-14.1 HB2 LYS 12 - HE2 LYS 20 far 0 99 0 - 9.7-13.0 HB2 LYS 20 - HE3 LYS 94 far 0 94 0 - 9.7-13.6 HB VAL 54 - HE3 LYS 68 far 0 97 0 - 9.7-13.5 HB VAL 5 - HE3 LYS 20 far 0 98 0 - 9.7-12.9 HB2 LYS 20 - HE2 LYS 94 far 0 87 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 3080 from cnoeabs.peaks (1.64, 2.91, 41.80 ppm; 2.69 A): 14 out of 40 assignments used, quality = 1.00: HD3 LYS 68 + HE3 LYS 68 OK 94 99 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(60) HD3 LYS 68 + HE2 LYS 68 OK 93 99 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 93 99 100 94 2.6-3.0 3.0=73, 3.0/4267=7...(59) HD2 LYS 68 + HE2 LYS 68 OK 93 99 100 94 2.3-3.0 3.0=73, 3.0/4267=7...(59) * HG2 LYS 68 + HE3 LYS 68 OK 91 100 100 91 2.0-4.0 3.6=42, 1.8/4267=9...(62) HD2 LYS 94 + HE3 LYS 94 OK 86 94 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(33) HD2 LYS 94 + HE2 LYS 94 OK 80 87 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(32) HG2 LYS 68 + HE2 LYS 68 OK 77 100 85 91 2.0-4.2 3.6=42, 1.8/4267=9...(62) HG3 LYS 20 + HE2 LYS 20 OK 64 73 100 89 2.4-3.8 3.6=43, 1.8/941=9...(50) HG3 LYS 20 + HE3 LYS 20 OK 64 72 100 89 2.5-4.1 3.6=43, 1.8/941=9...(50) HD3 LYS 20 + HE2 LYS 20 OK 63 73 100 87 2.3-3.0 3.0=73, 2.8/941=7...(33) HD3 LYS 20 + HE3 LYS 20 OK 62 72 100 87 2.4-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE2 LYS 20 OK 58 67 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE3 LYS 20 OK 58 66 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 - HE3 LYS 90 far 0 35 0 - 4.4-9.9 HG3 LYS 20 - HE3 LYS 90 far 0 39 0 - 5.1-10.9 HD2 LYS 94 - HE3 LYS 90 far 0 54 0 - 5.5-11.9 HD3 LYS 20 - HE3 LYS 90 far 0 39 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 83 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 76 0 - 5.6-11.5 HB3 ARG 79 - HE3 LYS 68 far 0 98 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 98 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 99 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 99 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 91 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 96 0 - 6.5-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 79 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 86 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 95 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 97 0 - 7.3-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 98 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 94 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 73 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 66 0 - 7.6-14.0 HD2 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 92 0 - 8.7-13.2 HD2 LYS 20 - HE2 LYS 94 far 0 60 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 66 0 - 9.4-14.0 HD2 LYS 94 - HE2 LYS 20 far 0 93 0 - 9.6-13.2 HD3 LYS 20 - HE3 LYS 94 far 0 73 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3081 from cnoeabs.peaks (1.35, 2.91, 41.80 ppm; 3.48 A): 6 out of 38 assignments used, quality = 1.00: * HG3 LYS 68 + HE3 LYS 68 OK 100 100 100 100 2.0-4.0 3.6=90, 3033/6.3=17...(77) HG3 LYS 68 + HE2 LYS 68 OK 100 100 100 100 2.0-4.2 3.6=90, 3033/6.3=17...(77) HG2 LYS 94 + HE3 LYS 94 OK 97 99 100 98 2.0-3.8 3.9=72, 2.9/4206=19...(46) HG2 LYS 94 + HE2 LYS 94 OK 91 93 100 98 2.1-4.0 3.9=72, 2.9/4206=19...(47) HG3 LYS 94 + HE3 LYS 94 OK 71 73 100 98 2.0-3.9 3.9=72, 2.9/4206=19...(46) HG3 LYS 94 + HE2 LYS 94 OK 65 66 100 98 2.3-3.9 3.9=72, 2.9/4206=19...(46) QB ALA 25 - HE3 LYS 94 far 10 99 10 - 4.1-8.3 QB ALA 25 - HE2 LYS 94 poor 9 93 25 40 2.8-7.7 10334/6.0=11, 4189/4.8=9...(9) QB ALA 89 - HE3 LYS 90 far 6 60 10 - 4.4-7.0 HB2 LEU 70 - HE3 LYS 66 far 4 89 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 0 83 0 - 5.1-9.9 HG LEU 14 - HE3 LYS 90 far 0 63 0 - 5.2-9.4 QB ALA 67 - HE3 LYS 66 far 0 96 0 - 5.4-6.6 QB ALA 67 - HE2 LYS 66 far 0 91 0 - 5.5-7.4 QB ALA 67 - HE3 LYS 68 far 0 98 0 - 6.6-7.7 QB ALA 67 - HE2 LYS 68 far 0 98 0 - 6.7-8.0 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 7.1-10.4 HG3 LYS 94 - HE3 LYS 90 far 0 39 0 - 7.1-11.2 HG2 LYS 94 - HE3 LYS 90 far 0 60 0 - 7.2-12.6 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 7.4-10.5 HG2 LYS 39 - HE2 LYS 66 far 0 94 0 - 7.5-11.7 QB ALA 89 - HE2 LYS 94 far 0 93 0 - 7.7-10.4 HG3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.7-11.3 HG2 LYS 39 - HE3 LYS 66 far 0 99 0 - 7.8-11.9 QB ALA 89 - HE3 LYS 20 far 0 98 0 - 7.9-10.3 QB ALA 89 - HE3 LYS 94 far 0 99 0 - 8.2-10.8 HG LEU 14 - HE3 LYS 20 far 0 100 0 - 8.2-11.6 QB ALA 89 - HE2 LYS 20 far 0 98 0 - 8.4-9.9 QB ALA 25 - HE2 LYS 20 far 0 98 0 - 8.8-10.1 QB ALA 25 - HE3 LYS 20 far 0 98 0 - 8.9-10.4 HG3 LYS 68 - HE2 LYS 66 far 0 95 0 - 8.9-11.6 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 9.0-10.9 QB ALA 25 - HE3 LYS 90 far 0 60 0 - 9.1-11.4 HG LEU 14 - HE2 LYS 20 far 0 100 0 - 9.1-11.2 HG12 ILE 8 - HE2 LYS 66 far 0 89 0 - 9.1-13.2 HG12 ILE 8 - HE3 LYS 66 far 0 95 0 - 9.4-12.2 HB2 LEU 70 - HE2 LYS 68 far 0 92 0 - 9.5-11.3 HB3 LEU 27 - HE2 LYS 94 far 0 95 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 3082 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.69 A): 14 out of 43 assignments used, quality = 1.00: HD3 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=7...(61) HD3 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(60) HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.3-3.0 3.0=73, 3.0/4267=7...(59) * HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.6-3.0 3.0=73, 3.0/4267=7...(59) HG2 LYS 68 + HE3 LYS 68 OK 90 99 100 91 2.0-4.0 3.6=42, 1.8/4267=9...(62) HG3 LYS 20 + HE2 LYS 20 OK 79 89 100 89 2.4-3.8 3.6=43, 1.8/941=9...(51) HG3 LYS 20 + HE3 LYS 20 OK 78 88 100 89 2.5-4.1 3.6=43, 1.8/941=9...(51) HD3 LYS 20 + HE2 LYS 20 OK 77 89 100 87 2.3-3.0 3.0=73, 2.8/941=7...(33) HD3 LYS 20 + HE3 LYS 20 OK 77 88 100 87 2.4-3.0 3.0=73, 2.8/941=7...(33) HG2 LYS 68 + HE2 LYS 68 OK 76 99 85 91 2.0-4.2 3.6=42, 1.8/4267=9...(62) HD2 LYS 94 + HE3 LYS 94 OK 74 80 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(33) HD2 LYS 20 + HE2 LYS 20 OK 74 85 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE3 LYS 20 OK 73 84 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 94 + HE2 LYS 94 OK 67 73 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(32) HB3 ARG 91 - HE2 LYS 94 lone 7 70 50 20 2.8-9.1 ~4242=2, 3.0/12238=2...(8) HB3 ARG 91 - HE3 LYS 94 lone 5 77 35 20 2.9-8.3 ~4242=2, 3.0/12238=2...(8) HD2 LYS 20 - HE3 LYS 90 far 0 47 0 - 4.4-9.9 HG3 LYS 20 - HE3 LYS 90 far 0 50 0 - 5.1-10.9 HD2 LYS 94 - HE3 LYS 90 far 0 44 0 - 5.5-11.9 HD3 LYS 20 - HE3 LYS 90 far 0 50 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 94 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 88 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 41 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 97 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 97 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 94 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 99 0 - 6.5-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 90 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 96 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.3-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 91 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 89 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 82 0 - 7.6-14.0 HD2 LYS 68 - HE2 LYS 66 far 0 95 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 94 0 - 8.7-13.2 HD2 LYS 20 - HE2 LYS 94 far 0 78 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 82 0 - 9.4-14.0 HD2 LYS 94 - HE2 LYS 20 far 0 80 0 - 9.6-13.2 HD3 LYS 20 - HE3 LYS 94 far 0 89 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3083 from cnoeabs.peaks (1.65, 2.91, 41.80 ppm; 2.69 A): 14 out of 43 assignments used, quality = 1.00: * HD3 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3038/3.6=7...(61) HD3 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.2-3.0 3.0=73, 3.0/4267=7...(60) HD2 LYS 68 + HE2 LYS 68 OK 94 100 100 94 2.3-3.0 3.0=73, 3.0/4267=7...(59) HD2 LYS 68 + HE3 LYS 68 OK 94 100 100 94 2.6-3.0 3.0=73, 3.0/4267=7...(59) HG2 LYS 68 + HE3 LYS 68 OK 90 99 100 91 2.0-4.0 3.6=42, 1.8/4267=9...(62) HG3 LYS 20 + HE2 LYS 20 OK 78 87 100 89 2.4-3.8 3.6=43, 1.8/941=9...(51) HG3 LYS 20 + HE3 LYS 20 OK 77 87 100 89 2.5-4.1 3.6=43, 1.8/941=9...(51) HG2 LYS 68 + HE2 LYS 68 OK 77 99 85 91 2.0-4.2 3.6=42, 1.8/4267=9...(62) HD3 LYS 20 + HE2 LYS 20 OK 76 87 100 87 2.3-3.0 3.0=73, 2.8/941=7...(33) HD3 LYS 20 + HE3 LYS 20 OK 75 87 100 87 2.4-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 94 + HE3 LYS 94 OK 75 82 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(33) HD2 LYS 20 + HE2 LYS 20 OK 72 83 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 20 + HE3 LYS 20 OK 72 83 100 87 2.2-3.0 3.0=73, 2.8/941=7...(33) HD2 LYS 94 + HE2 LYS 94 OK 68 75 100 92 2.2-3.0 3.0=76, 3.5/4206=9...(32) HB3 ARG 91 - HE2 LYS 94 lone 7 68 50 20 2.8-9.1 ~4242=2, 3.0/12238=2...(8) HB3 ARG 91 - HE3 LYS 94 lone 5 75 35 20 2.9-8.3 ~4242=2, 3.0/12238=2...(8) HD2 LYS 20 - HE3 LYS 90 far 0 46 0 - 4.4-9.9 HG3 LYS 20 - HE3 LYS 90 far 0 49 0 - 5.1-10.9 HD2 LYS 94 - HE3 LYS 90 far 0 45 0 - 5.5-11.9 HD3 LYS 20 - HE3 LYS 90 far 0 49 0 - 5.5-10.8 HD2 LYS 73 - HE3 LYS 66 far 0 93 0 - 5.6-10.7 HD2 LYS 73 - HE2 LYS 66 far 0 87 0 - 5.6-11.5 HB3 ARG 91 - HE3 LYS 90 far 0 40 0 - 5.7-9.5 HB3 ARG 79 - HE3 LYS 68 far 0 100 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 98 0 - 6.0-11.4 HD3 LYS 39 - HE3 LYS 66 far 0 97 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 94 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 99 0 - 6.5-11.3 HD3 LYS 73 - HE2 LYS 66 far 0 89 0 - 7.2-13.1 HD3 LYS 73 - HE3 LYS 66 far 0 95 0 - 7.2-11.5 HG2 LYS 68 - HE2 LYS 66 far 0 92 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.3-12.3 HD3 LYS 68 - HE3 LYS 66 far 0 99 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 92 0 - 7.6-11.5 HG3 LYS 20 - HE3 LYS 94 far 0 88 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 81 0 - 7.6-14.0 HD2 LYS 68 - HE2 LYS 66 far 0 94 0 - 8.4-12.3 HD3 LYS 68 - HE2 LYS 66 far 0 95 0 - 8.7-13.2 HD2 LYS 20 - HE2 LYS 94 far 0 76 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 81 0 - 9.4-14.0 HD2 LYS 94 - HE2 LYS 20 far 0 81 0 - 9.6-13.2 HD3 LYS 20 - HE3 LYS 94 far 0 88 0 - 9.7-14.2 Violated in 0 structures by 0.00 A. Peak 3084 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 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 66 + HE3 LYS 66 OK 98 98 - 100 HE2 LYS 94 + HE2 LYS 94 OK 93 93 - 100 HE2 LYS 66 + HE2 LYS 66 OK 88 88 - 100 HE3 LYS 90 + HE3 LYS 90 OK 46 46 - 100 Reference assignment not found: HE2 LYS 68 - HE3 LYS 68 Peak 3085 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HE3 LYS 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 99 99 - 100 HE3 LYS 66 + HE3 LYS 66 OK 98 98 - 100 HE2 LYS 94 + HE2 LYS 94 OK 92 92 - 100 HE2 LYS 66 + HE2 LYS 66 OK 90 90 - 100 HE3 LYS 90 + HE3 LYS 90 OK 44 44 - 100 Peak 3086 from cnoeabs.peaks (7.90, 2.91, 41.80 ppm; 6.05 A): 9 out of 12 assignments used, quality = 1.00: * H GLU 69 + HE3 LYS 68 OK 100 100 100 100 4.2-6.7 3008/5.0=62, 7122/7.2=53...(17) H GLU 69 + HE2 LYS 68 OK 100 100 100 100 4.5-7.2 3008/5.0=62, 7122/7.2=53...(16) H GLU 69 + HE3 LYS 66 OK 92 99 95 98 4.7-7.6 7119/6.1=65, 9537/3.6=38...(16) H GLU 69 + HE2 LYS 66 OK 78 95 85 97 5.3-8.1 7119/6.1=65, 9537/3.6=38...(15) H ASP 65 + HE3 LYS 68 OK 65 94 70 99 4.6-8.1 10773/7.2=41...(18) H ASP 65 + HE2 LYS 68 OK 56 94 60 99 4.5-8.2 10773/7.2=41...(18) H ASP 65 + HE2 LYS 66 OK 48 85 60 93 5.6-8.7 7057/7.2=49, 9492/4.7=33...(11) H ASP 65 + HE3 LYS 66 OK 47 92 55 94 4.8-8.5 7057/7.2=49, 9492/4.7=33...(11) H GLN 72 + HE3 LYS 68 OK 31 100 40 79 6.1-9.1 3042/3.6=29, 2996/6.3=28...(7) H GLN 72 - HE2 LYS 68 poor 20 100 20 - 6.4-9.2 H GLN 72 - HE2 LYS 66 far 0 94 0 - 8.0-12.6 H GLN 72 - HE3 LYS 66 far 0 98 0 - 8.2-11.4 Violated in 0 structures by 0.00 A. Peak 3087 from cnoeabs.peaks (7.90, 4.00, 59.02 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 69 + HA GLU 69 OK 100 100 100 100 2.8-2.9 3.0=100 H GLN 72 + HA GLU 69 OK 91 100 100 91 3.5-4.1 9554=34, 7172/9560=24...(14) H ASP 65 - HA GLU 69 far 0 94 0 - 7.9-8.8 Violated in 0 structures by 0.00 A. Peak 3088 from cnoeabs.peaks (4.00, 4.00, 59.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 69 + HA GLU 69 OK 100 100 - 100 HA GLU 95 + HA GLU 95 OK 24 24 - 100 Peak 3089 from cnoeabs.peaks (2.13, 4.00, 59.02 ppm; 2.83 A): 4 out of 10 assignments used, quality = 1.00: * HB2 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-3.0 3.0=85, 3.0/3118=38...(27) HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-3.0 3.0=85, 3.0/3118=38...(25) HG2 GLU 69 + HA GLU 69 OK 98 100 100 98 2.2-3.8 3111=59, 1.8/3118=53...(24) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.4-2.7 3.0=84, 7540/3.0=29...(18) HB2 GLN 72 - HA GLU 69 far 3 63 5 - 4.3-5.0 HG2 GLU 104 - HA GLU 95 far 0 29 0 - 4.9-15.5 QE MET 21 - HA GLU 95 far 0 24 0 - 6.0-7.6 HG3 GLU 104 - HA GLU 95 far 0 23 0 - 6.3-14.7 HB2 LEU 64 - HA GLU 69 far 0 97 0 - 9.6-10.9 HG2 GLU 104 - HA GLU 69 far 0 91 0 - 10.0-23.9 Violated in 0 structures by 0.00 A. Peak 3090 from cnoeabs.peaks (2.13, 4.00, 59.02 ppm; 2.83 A): 4 out of 10 assignments used, quality = 1.00: HB2 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-3.0 3.0=85, 3.0/3118=38...(27) * HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-3.0 3.0=85, 3.0/3118=38...(25) HG2 GLU 69 + HA GLU 69 OK 98 100 100 98 2.2-3.8 3111=59, 1.8/3118=53...(24) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.4-2.7 3.0=84, 7540/3.0=29...(18) HB2 GLN 72 - HA GLU 69 far 3 63 5 - 4.3-5.0 HG2 GLU 104 - HA GLU 95 far 0 29 0 - 4.9-15.5 QE MET 21 - HA GLU 95 far 0 24 0 - 6.0-7.6 HG3 GLU 104 - HA GLU 95 far 0 23 0 - 6.3-14.7 HB2 LEU 64 - HA GLU 69 far 0 97 0 - 9.6-10.9 HG2 GLU 104 - HA GLU 69 far 0 91 0 - 10.0-23.9 Violated in 0 structures by 0.00 A. Peak 3091 from cnoeabs.peaks (2.13, 4.00, 59.02 ppm; 2.83 A): 4 out of 10 assignments used, quality = 1.00: HB2 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-3.0 3.0=85, 3.0/3118=38...(27) HB3 GLU 69 + HA GLU 69 OK 99 100 100 99 2.4-3.0 3.0=85, 3.0/3118=38...(25) * HG2 GLU 69 + HA GLU 69 OK 98 100 100 98 2.2-3.8 3111=59, 1.8/3118=53...(24) HB3 GLU 95 + HA GLU 95 OK 21 21 100 98 2.4-2.7 3.0=84, 7540/3.0=29...(18) HB2 GLN 72 - HA GLU 69 far 3 63 5 - 4.3-5.0 HG2 GLU 104 - HA GLU 95 far 0 29 0 - 4.9-15.5 QE MET 21 - HA GLU 95 far 0 24 0 - 6.0-7.6 HG3 GLU 104 - HA GLU 95 far 0 23 0 - 6.3-14.7 HB2 LEU 64 - HA GLU 69 far 0 97 0 - 9.6-10.9 HG2 GLU 104 - HA GLU 69 far 0 91 0 - 10.0-23.9 Violated in 0 structures by 0.00 A. Peak 3092 from cnoeabs.peaks (2.34, 4.00, 59.02 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 69 + HA GLU 69 OK 100 100 100 100 2.4-3.4 3118=100, 1.8/3111=75...(20) Violated in 0 structures by 0.00 A. Peak 3093 from cnoeabs.peaks (7.96, 4.00, 59.02 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HA GLU 69 OK 100 100 100 100 3.5-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3094 from cnoeabs.peaks (4.08, 2.13, 29.27 ppm; 3.38 A): 4 out of 6 assignments used, quality = 0.96: * HA LYS 66 + HB2 GLU 69 OK 88 100 100 88 3.0-4.3 2883=40, 7119/4.0=35...(17) HA LYS 24 + HB3 GLU 23 OK 39 49 95 84 4.3-5.6 3.0/6379=22, ~1026=18...(15) HA LYS 20 + HB3 GLU 23 OK 35 45 100 78 2.1-4.1 856/1.8=31, 6358/4.0=26...(8) HA LYS 66 + HB3 GLU 69 OK 23 100 30 76 2.8-5.8 7119/4.0=35, 2883/1.8=30...(10) HA GLU 17 - HB3 GLU 23 far 0 46 0 - 7.7-10.2 HA GLU 16 - HB3 GLU 23 far 0 37 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 3095 from cnoeabs.peaks (7.90, 2.13, 29.27 ppm; 2.99 A): 2 out of 6 assignments used, quality = 1.00: * H GLU 69 + HB2 GLU 69 OK 97 100 100 97 2.3-2.8 4.0=41, 3110/3.0=40...(20) H GLU 69 + HB3 GLU 69 OK 95 100 100 95 2.4-3.6 4.0=41, 3110/3.0=40...(15) H GLN 72 - HB3 GLU 69 far 0 100 0 - 5.0-5.9 H GLN 72 - HB2 GLU 69 far 0 100 0 - 5.2-5.9 H ASP 65 - HB2 GLU 69 far 0 94 0 - 6.3-8.2 H ASP 65 - HB3 GLU 69 far 0 94 0 - 6.6-9.3 Violated in 0 structures by 0.00 A. Peak 3096 from cnoeabs.peaks (4.00, 2.13, 29.27 ppm; 3.04 A): 4 out of 6 assignments used, quality = 1.00: HA GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.4-3.0 3.0=100 * HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 70 + HB2 GLU 69 OK 71 85 95 88 4.0-5.5 3.0/3109=22...(23) HA LEU 70 + HB3 GLU 69 OK 44 85 60 86 4.0-4.8 3.0/3109=21...(23) HB3 SER 97 - HB3 GLU 23 far 0 59 0 - 9.9-12.1 HA GLU 75 - HB3 GLU 69 far 0 100 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 3097 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 * HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 44 44 - 100 Peak 3098 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 44 44 - 100 Reference assignment not found: HB3 GLU 69 - HB2 GLU 69 Peak 3099 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 44 44 - 100 Reference assignment not found: HG2 GLU 69 - HB2 GLU 69 Peak 3100 from cnoeabs.peaks (2.34, 2.13, 29.27 ppm; 2.93 A): 2 out of 3 assignments used, quality = 1.00: * HG3 GLU 69 + HB2 GLU 69 OK 99 100 100 99 2.2-2.9 3.0=94, 3118/3.0=41...(21) HG3 GLU 69 + HB3 GLU 69 OK 99 100 100 99 2.7-3.0 3.0=94, 3118/3.0=41...(17) HG2 GLU 16 - HB3 GLU 23 far 0 62 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 3101 from cnoeabs.peaks (7.96, 2.13, 29.27 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: * H LEU 70 + HB2 GLU 69 OK 98 100 100 98 2.2-3.7 7137/4.0=42, 4.6=38...(19) H LEU 70 + HB3 GLU 69 OK 96 100 100 96 2.2-4.1 7137/4.0=42, 4.6=38...(18) Violated in 0 structures by 0.00 A. Peak 3102 from cnoeabs.peaks (4.08, 2.13, 29.27 ppm; 3.38 A): 4 out of 6 assignments used, quality = 0.96: HA LYS 66 + HB2 GLU 69 OK 88 100 100 88 3.0-4.3 2883=40, 7119/4.0=35...(17) HA LYS 24 + HB3 GLU 23 OK 39 49 95 84 4.3-5.6 3.0/6379=22, ~1026=18...(15) HA LYS 20 + HB3 GLU 23 OK 35 45 100 78 2.1-4.1 856/1.8=31, 6358/4.0=26...(8) * HA LYS 66 + HB3 GLU 69 OK 23 100 30 76 2.8-5.8 7119/4.0=35, 2883/1.8=30...(10) HA GLU 17 - HB3 GLU 23 far 0 46 0 - 7.7-10.2 HA GLU 16 - HB3 GLU 23 far 0 37 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 3103 from cnoeabs.peaks (7.90, 2.13, 29.27 ppm; 2.99 A): 2 out of 6 assignments used, quality = 1.00: H GLU 69 + HB2 GLU 69 OK 97 100 100 97 2.3-2.8 4.0=41, 3110/3.0=40...(20) * H GLU 69 + HB3 GLU 69 OK 95 100 100 95 2.4-3.6 4.0=41, 3110/3.0=40...(15) H GLN 72 - HB3 GLU 69 far 0 100 0 - 5.0-5.9 H GLN 72 - HB2 GLU 69 far 0 100 0 - 5.2-5.9 H ASP 65 - HB2 GLU 69 far 0 94 0 - 6.3-8.2 H ASP 65 - HB3 GLU 69 far 0 94 0 - 6.6-9.3 Violated in 0 structures by 0.00 A. Peak 3104 from cnoeabs.peaks (4.00, 2.13, 29.27 ppm; 3.04 A): 4 out of 6 assignments used, quality = 1.00: * HA GLU 69 + HB3 GLU 69 OK 100 100 100 100 2.4-3.0 3.0=100 HA GLU 69 + HB2 GLU 69 OK 100 100 100 100 2.4-3.0 3.0=100 HA LEU 70 + HB2 GLU 69 OK 71 85 95 88 4.0-5.5 3.0/3109=22...(23) HA LEU 70 + HB3 GLU 69 OK 44 85 60 86 4.0-4.8 3.0/3109=21...(23) HB3 SER 97 - HB3 GLU 23 far 0 59 0 - 9.9-12.1 HA GLU 75 - HB3 GLU 69 far 0 100 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 3105 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 44 44 - 100 Reference assignment not found: HB2 GLU 69 - HB3 GLU 69 Peak 3106 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 44 44 - 100 Peak 3107 from cnoeabs.peaks (2.13, 2.13, 29.27 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB3 GLU 23 + HB3 GLU 23 OK 44 44 - 100 Reference assignment not found: HG2 GLU 69 - HB3 GLU 69 Peak 3108 from cnoeabs.peaks (2.34, 2.13, 29.27 ppm; 2.93 A): 2 out of 3 assignments used, quality = 1.00: HG3 GLU 69 + HB2 GLU 69 OK 99 100 100 99 2.2-2.9 3.0=94, 3118/3.0=41...(21) * HG3 GLU 69 + HB3 GLU 69 OK 99 100 100 99 2.7-3.0 3.0=94, 3118/3.0=41...(17) HG2 GLU 16 - HB3 GLU 23 far 0 62 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 3109 from cnoeabs.peaks (7.96, 2.13, 29.27 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: H LEU 70 + HB2 GLU 69 OK 98 100 100 98 2.2-3.7 7137/4.0=42, 4.6=38...(19) * H LEU 70 + HB3 GLU 69 OK 96 100 100 96 2.2-4.1 7137/4.0=42, 4.6=38...(18) Violated in 0 structures by 0.00 A. Peak 3110 from cnoeabs.peaks (7.90, 2.13, 35.91 ppm; 3.44 A): 1 out of 6 assignments used, quality = 0.99: * H GLU 69 + HG2 GLU 69 OK 99 100 100 99 2.4-4.4 7136/1.8=63, 3.0/3111=55...(22) H GLN 72 - HG2 GLU 69 far 0 100 0 - 5.0-7.3 H ASP 65 - HG2 GLU 69 far 0 94 0 - 5.6-8.9 H ASP 65 - HG2 GLU 104 far 0 66 0 - 8.1-21.1 H GLU 69 - HG2 GLU 104 far 0 76 0 - 9.2-22.6 H ASP 65 - HG3 GLU 104 far 0 48 0 - 9.5-21.7 Violated in 1 structures by 0.05 A. Peak 3111 from cnoeabs.peaks (4.00, 2.13, 35.91 ppm; 3.37 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 69 + HG2 GLU 69 OK 100 100 100 100 2.2-3.8 3118/1.8=73, 4.1=56...(25) HA LEU 70 - HG2 GLU 69 far 4 85 5 - 3.3-6.5 HA GLU 95 - HG2 GLU 104 far 0 54 0 - 4.9-15.5 HA GLU 95 - HG3 GLU 104 far 0 38 0 - 6.3-14.7 HB3 SER 97 - HG2 GLU 104 far 0 72 0 - 9.8-18.7 HA GLU 69 - HG2 GLU 104 far 0 76 0 - 10.0-23.9 Violated in 17 structures by 0.28 A. Peak 3112 from cnoeabs.peaks (2.13, 2.13, 35.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 91 91 - 100 HG2 GLU 104 + HG2 GLU 104 OK 63 63 - 100 HG3 GLU 104 + HG3 GLU 104 OK 37 37 - 100 Reference assignment not found: HB2 GLU 69 - HG2 GLU 69 Peak 3113 from cnoeabs.peaks (2.13, 2.13, 35.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 91 91 - 100 HG2 GLU 104 + HG2 GLU 104 OK 63 63 - 100 HG3 GLU 104 + HG3 GLU 104 OK 37 37 - 100 Reference assignment not found: HB3 GLU 69 - HG2 GLU 69 Peak 3114 from cnoeabs.peaks (2.13, 2.13, 35.91 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 91 91 - 100 HG2 GLU 104 + HG2 GLU 104 OK 63 63 - 100 HG3 GLU 104 + HG3 GLU 104 OK 37 37 - 100 Peak 3115 from cnoeabs.peaks (2.34, 2.13, 35.91 ppm; 2.40 A): 2 out of 7 assignments used, quality = 1.00: * HG3 GLU 69 + HG2 GLU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 44 + HG2 GLU 44 OK 88 88 100 100 1.8-1.8 1.8=100 HD3 ARG 81 - HG2 GLU 104 far 0 48 0 - 4.9-11.6 HD3 ARG 81 - HG3 GLU 104 far 0 34 0 - 5.0-12.8 HB2 TYR 41 - HG2 GLU 44 far 0 73 0 - 5.2-7.5 HG3 GLU 43 - HG2 GLU 44 far 0 83 0 - 5.8-8.3 HG2 GLU 48 - HG2 GLU 44 far 0 91 0 - 5.9-11.0 Violated in 0 structures by 0.00 A. Peak 3116 from cnoeabs.peaks (7.96, 2.13, 35.91 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 70 + HG2 GLU 69 OK 99 100 100 99 3.1-4.7 7137/3110=66...(16) H LEU 42 - HG2 GLU 44 poor 18 93 25 79 4.4-7.1 6702/6713=37...(9) Violated in 19 structures by 0.31 A. Peak 3117 from cnoeabs.peaks (7.90, 2.34, 35.91 ppm; 3.80 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.2-4.5 7136=100, 3110/1.8=83...(17) H GLN 72 - HG3 GLU 69 far 5 100 5 - 5.0-6.8 H ASP 65 - HG3 GLU 69 far 0 94 0 - 5.7-8.9 H GLN 72 - HG3 GLU 43 far 0 43 0 - 8.7-10.1 Violated in 1 structures by 0.03 A. Peak 3118 from cnoeabs.peaks (4.00, 2.34, 35.91 ppm; 3.28 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 69 + HG3 GLU 69 OK 100 100 100 100 2.4-3.4 3092=84, 3111/1.8=68...(18) HA LEU 70 - HG3 GLU 69 far 4 85 5 - 4.6-6.5 HA LEU 70 - HG3 GLU 43 far 0 32 0 - 7.3-8.7 HA GLU 75 - HG3 GLU 43 far 0 43 0 - 8.9-10.4 HD3 PRO 86 - HG2 GLU 16 far 0 90 0 - 9.8-11.3 Violated in 2 structures by 0.01 A. Peak 3119 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 5 out of 19 assignments used, quality = 1.00: HG2 GLU 69 + HG3 GLU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 + HG3 GLU 44 OK 86 86 100 100 1.8-1.8 1.8=100 * HB2 GLU 69 + HG3 GLU 69 OK 85 100 100 85 2.2-2.9 3.0=52, 3.0/3118=26...(12) HB3 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.7-3.0 3.0=52, 3.0/3118=26...(11) HB3 GLU 16 + HG2 GLU 16 OK 50 57 100 88 2.5-2.9 3.0=51, 1.8/700=24...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.3-8.1 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 5.8-8.3 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 5.9-11.0 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 7.1-10.2 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 7.1-9.0 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.0-11.1 HB3 GLU 37 - HG3 GLU 44 far 0 87 0 - 8.2-13.6 HB2 GLU 75 - HG3 GLU 43 far 0 42 0 - 8.3-10.0 HB3 GLU 62 - HG3 GLU 69 far 0 61 0 - 8.5-12.0 HB2 GLU 75 - HG2 GLU 48 far 0 91 0 - 8.9-14.1 QE MET 21 - HG2 GLU 16 far 0 78 0 - 9.1-11.7 HB3 GLU 23 - HG2 GLU 16 far 0 79 0 - 9.3-11.8 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 9.3-10.8 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3120 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 5 out of 19 assignments used, quality = 1.00: HG2 GLU 69 + HG3 GLU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 + HG3 GLU 44 OK 86 86 100 100 1.8-1.8 1.8=100 HB2 GLU 69 + HG3 GLU 69 OK 85 100 100 85 2.2-2.9 3.0=52, 3.0/3118=26...(12) * HB3 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.7-3.0 3.0=52, 3.0/3118=26...(11) HB3 GLU 16 + HG2 GLU 16 OK 50 57 100 88 2.5-2.9 3.0=51, 1.8/700=24...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.3-8.1 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 5.8-8.3 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 5.9-11.0 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 7.1-10.2 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 7.1-9.0 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.0-11.1 HB3 GLU 37 - HG3 GLU 44 far 0 87 0 - 8.2-13.6 HB2 GLU 75 - HG3 GLU 43 far 0 42 0 - 8.3-10.0 HB3 GLU 62 - HG3 GLU 69 far 0 61 0 - 8.5-12.0 HB2 GLU 75 - HG2 GLU 48 far 0 91 0 - 8.9-14.1 QE MET 21 - HG2 GLU 16 far 0 78 0 - 9.1-11.7 HB3 GLU 23 - HG2 GLU 16 far 0 79 0 - 9.3-11.8 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 9.3-10.8 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3121 from cnoeabs.peaks (2.13, 2.34, 35.91 ppm; 2.40 A): 5 out of 19 assignments used, quality = 1.00: * HG2 GLU 69 + HG3 GLU 69 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 44 + HG3 GLU 44 OK 86 86 100 100 1.8-1.8 1.8=100 HB2 GLU 69 + HG3 GLU 69 OK 85 100 100 85 2.2-2.9 3.0=52, 3.0/3118=26...(12) HB3 GLU 69 + HG3 GLU 69 OK 84 100 100 84 2.7-3.0 3.0=52, 3.0/3118=26...(11) HB3 GLU 16 + HG2 GLU 16 OK 50 57 100 88 2.5-2.9 3.0=51, 1.8/700=24...(14) HB2 GLN 72 - HG3 GLU 69 far 0 63 0 - 5.3-8.1 HG2 GLU 44 - HG3 GLU 43 far 0 43 0 - 5.8-8.3 HG2 GLU 44 - HG2 GLU 48 far 0 91 0 - 5.9-11.0 HB3 PRO 86 - HG2 GLU 16 far 0 87 0 - 7.1-10.2 HB2 PRO 86 - HG2 GLU 16 far 0 98 0 - 7.1-9.0 HB2 LEU 64 - HG3 GLU 69 far 0 97 0 - 8.0-11.1 HB3 GLU 37 - HG3 GLU 44 far 0 87 0 - 8.2-13.6 HB2 GLU 75 - HG3 GLU 43 far 0 42 0 - 8.3-10.0 HB3 GLU 62 - HG3 GLU 69 far 0 61 0 - 8.5-12.0 HB2 GLU 75 - HG2 GLU 48 far 0 91 0 - 8.9-14.1 QE MET 21 - HG2 GLU 16 far 0 78 0 - 9.1-11.7 HB3 GLU 23 - HG2 GLU 16 far 0 79 0 - 9.3-11.8 HB3 GLU 37 - HG3 GLU 43 far 0 44 0 - 9.3-10.8 HG3 GLU 37 - HG3 GLU 43 far 0 38 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3122 from cnoeabs.peaks (2.34, 2.34, 35.91 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 69 + HG3 GLU 69 OK 100 100 - 100 HG2 GLU 16 + HG2 GLU 16 OK 99 99 - 100 HG2 GLU 48 + HG2 GLU 48 OK 91 91 - 100 HG3 GLU 44 + HG3 GLU 44 OK 82 82 - 100 HG3 GLU 43 + HG3 GLU 43 OK 37 37 - 100 Peak 3123 from cnoeabs.peaks (7.96, 2.34, 35.91 ppm; 4.15 A): 2 out of 4 assignments used, quality = 1.00: * H LEU 70 + HG3 GLU 69 OK 100 100 100 100 4.1-4.5 3116/1.8=70...(14) H LEU 42 + HG3 GLU 43 OK 42 44 100 96 4.0-4.8 6685/6696=59...(11) H LEU 42 - HG3 GLU 44 far 13 87 15 - 5.0-8.0 H LEU 70 - HG3 GLU 43 far 0 44 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 3124 from cnoeabs.peaks (7.96, 4.02, 57.49 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 100 100 2.7-2.9 3.0=100 H LEU 42 - HA LEU 70 far 0 100 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 3125 from cnoeabs.peaks (4.02, 4.02, 57.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HA LEU 70 OK 100 100 - 100 Peak 3126 from cnoeabs.peaks (1.37, 4.02, 57.49 ppm; 3.55 A): 1 out of 4 assignments used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 100 100 3.0-3.0 3.0=100 HG2 LYS 39 - HA LEU 70 poor 17 87 20 - 3.6-7.9 QB ALA 67 - HA LEU 70 far 0 73 0 - 6.1-6.9 HG3 LYS 68 - HA LEU 70 far 0 92 0 - 7.3-10.0 Violated in 0 structures by 0.00 A. Peak 3127 from cnoeabs.peaks (1.72, 4.02, 57.49 ppm; 3.36 A): 2 out of 3 assignments used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 100 100 2.3-2.5 3.0=100 HG LEU 70 + HA LEU 70 OK 95 95 100 100 3.2-3.6 3.7=76, 2.1/3167=43...(25) HD3 LYS 66 - HA LEU 70 far 0 97 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 3128 from cnoeabs.peaks (1.70, 4.02, 57.49 ppm; 3.36 A): 4 out of 5 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 100 100 3.2-3.6 3.7=76, 3150/3.0=45...(25) HB3 LEU 70 + HA LEU 70 OK 95 95 100 100 2.3-2.5 3.0=100 HD2 LYS 73 + HA LEU 70 OK 63 75 100 84 2.4-4.4 3.0/10813=33...(15) HD3 LYS 73 + HA LEU 70 OK 59 71 100 83 3.3-4.6 3.0/10813=33...(13) HD3 LYS 66 - HA LEU 70 far 0 100 0 - 6.4-9.2 Violated in 0 structures by 0.00 A. Peak 3129 from cnoeabs.peaks (0.81, 4.02, 57.49 ppm; 3.10 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 70 + HA LEU 70 OK 99 100 100 99 2.2-3.9 4.0=46, 2.1/3167=37...(30) QD2 LEU 70 + HA LEU 70 OK 98 99 100 99 1.9-3.9 3167=52, 3166/3.0=32...(30) QD2 LEU 38 - HA LEU 70 far 0 100 0 - 5.8-8.3 QD1 ILE 76 - HA LEU 70 far 0 96 0 - 6.2-7.5 QG2 VAL 32 - HA LEU 70 far 0 96 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 3130 from cnoeabs.peaks (0.81, 4.02, 57.49 ppm; 3.10 A): 2 out of 6 assignments used, quality = 1.00: * QD2 LEU 70 + HA LEU 70 OK 99 100 100 99 1.9-3.9 3167=53, 3166/3.0=32...(30) QD1 LEU 70 + HA LEU 70 OK 98 99 100 99 2.2-3.9 4.0=46, 2.1/3167=37...(30) QD2 LEU 38 - HA LEU 70 far 0 96 0 - 5.8-8.3 QD1 ILE 76 - HA LEU 70 far 0 100 0 - 6.2-7.5 QD1 LEU 6 - HA LEU 70 far 0 63 0 - 8.6-11.7 QG2 VAL 32 - HA LEU 70 far 0 87 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 3131 from cnoeabs.peaks (8.26, 4.02, 57.49 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 71 + HA LEU 70 OK 100 100 100 100 3.6-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 3132 from cnoeabs.peaks (3.85, 1.37, 41.70 ppm; 4.02 A): 3 out of 6 assignments used, quality = 1.00: HA ALA 71 + HB2 LEU 70 OK 99 99 100 100 3.8-4.2 3.0/7159=69, ~3149=42...(22) * HA ALA 67 + HB2 LEU 70 OK 96 100 100 96 2.6-3.3 3141/1.8=38...(19) HA GLU 35 + HB2 LEU 70 OK 22 71 40 75 5.2-6.4 9541/3.1=21, 9540/3.1=13...(21) HA LEU 38 - HB2 LEU 70 far 0 92 0 - 5.6-6.8 HA LYS 40 - HB2 LEU 70 far 0 99 0 - 7.8-9.3 HA GLU 43 - HB2 LEU 70 far 0 79 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 3133 from cnoeabs.peaks (7.96, 1.37, 41.70 ppm; 3.50 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.5-2.9 3142/1.8=77, 3.9=70...(22) H LEU 42 - HB2 LEU 70 far 0 100 0 - 6.2-7.3 Violated in 0 structures by 0.00 A. Peak 3134 from cnoeabs.peaks (4.02, 1.37, 41.70 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 100 100 3.0-3.0 3.0=100 HA GLU 69 - HB2 LEU 70 far 0 85 0 - 5.7-6.1 HA GLU 75 - HB2 LEU 70 far 0 93 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 3135 from cnoeabs.peaks (1.37, 1.37, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 Peak 3136 from cnoeabs.peaks (1.72, 1.37, 41.70 ppm; 2.63 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LEU 70 + HB2 LEU 70 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 70 + HB2 LEU 70 OK 90 95 100 95 2.2-2.4 3.0=68, 2.1/3139=21...(19) HD3 LYS 66 - HB2 LEU 70 far 0 97 0 - 6.0-8.9 HB3 LYS 40 - HB2 LEU 70 far 0 73 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 3137 from cnoeabs.peaks (1.70, 1.37, 41.70 ppm; 2.63 A): 2 out of 6 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 96 100 100 96 2.2-2.4 3.0=68, 3150/3133=22...(19) HB3 LEU 70 + HB2 LEU 70 OK 95 95 100 100 1.8-1.8 1.8=100 HD2 LYS 73 - HB2 LEU 70 far 0 75 0 - 5.2-7.3 HD3 LYS 66 - HB2 LEU 70 far 0 100 0 - 6.0-8.9 HD3 LYS 73 - HB2 LEU 70 far 0 71 0 - 6.1-7.5 HB3 LYS 40 - HB2 LEU 70 far 0 96 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 3138 from cnoeabs.peaks (0.81, 1.37, 41.70 ppm; 3.05 A): 3 out of 6 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.3-3.2 3.1=91, 2.1/3137=36...(26) QD2 LEU 70 + HB2 LEU 70 OK 99 99 100 100 2.3-3.2 3.1=91, 2.1/3137=36...(24) QD2 LEU 38 + HB2 LEU 70 OK 23 100 45 51 3.4-6.3 ~10959=8, 3155/3.0=7...(22) QD1 ILE 76 - HB2 LEU 70 far 0 96 0 - 5.2-6.8 QG2 VAL 32 - HB2 LEU 70 far 0 96 0 - 6.9-8.0 QG2 ILE 8 - HB2 LEU 70 far 0 79 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 3139 from cnoeabs.peaks (0.81, 1.37, 41.70 ppm; 3.05 A): 3 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 100 100 2.3-3.2 3.1=91, 2.1/3137=36...(24) QD1 LEU 70 + HB2 LEU 70 OK 99 99 100 100 2.3-3.2 3.1=91, 2.1/3137=36...(26) QD2 LEU 38 + HB2 LEU 70 OK 22 96 45 51 3.4-6.3 ~10959=8, ~12070=7...(22) QD1 ILE 76 - HB2 LEU 70 far 0 100 0 - 5.2-6.8 QD1 LEU 6 - HB2 LEU 70 far 0 63 0 - 6.2-9.4 QG2 VAL 32 - HB2 LEU 70 far 0 87 0 - 6.9-8.0 QG2 ILE 8 - HB2 LEU 70 far 0 91 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 3140 from cnoeabs.peaks (8.26, 1.37, 41.70 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 71 + HB2 LEU 70 OK 100 100 100 100 2.1-2.4 7159=87, 3149/1.8=76...(22) Violated in 0 structures by 0.00 A. Peak 3141 from cnoeabs.peaks (3.85, 1.72, 41.70 ppm; 3.91 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 71 + HB3 LEU 70 OK 99 99 100 99 4.3-4.8 3.0/3149=62, ~7159=40...(20) * HA ALA 67 + HB3 LEU 70 OK 95 100 100 95 4.2-5.0 2980=36, 3132/1.8=32...(17) HA GLU 35 - HB3 LEU 70 poor 14 71 20 - 5.1-6.5 HA LEU 38 - HB3 LEU 70 far 0 92 0 - 5.9-7.5 HA LYS 40 - HB3 LEU 70 far 0 99 0 - 7.0-8.3 HA GLU 43 - HB3 LEU 70 far 0 79 0 - 7.7-9.2 Violated in 17 structures by 0.12 A. Peak 3142 from cnoeabs.peaks (7.96, 1.72, 41.70 ppm; 3.31 A): 1 out of 2 assignments used, quality = 0.99: * H LEU 70 + HB3 LEU 70 OK 99 100 100 99 3.5-3.6 3133/1.8=65, 3.9=59...(18) H LEU 42 - HB3 LEU 70 far 0 100 0 - 6.0-7.4 Violated in 20 structures by 0.27 A. Peak 3143 from cnoeabs.peaks (4.02, 1.72, 41.70 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 100 100 2.3-2.5 3.0=100 HA GLU 69 - HB3 LEU 70 far 0 85 0 - 6.5-6.6 HA GLU 75 - HB3 LEU 70 far 0 93 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 3144 from cnoeabs.peaks (1.37, 1.72, 41.70 ppm; 2.70 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LEU 70 + HB3 LEU 70 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HB3 LEU 70 poor 13 87 25 60 2.4-5.6 10570/9544=23...(18) QB ALA 67 - HB3 LEU 70 far 0 73 0 - 5.1-6.1 HG3 LYS 68 - HB3 LEU 70 far 0 92 0 - 8.4-10.5 HG3 LYS 40 - HB3 LEU 70 far 0 99 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 3145 from cnoeabs.peaks (1.72, 1.72, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 Peak 3146 from cnoeabs.peaks (1.70, 1.72, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: HB3 LEU 70 + HB3 LEU 70 OK 95 95 - 100 Reference assignment not found: HG LEU 70 - HB3 LEU 70 Peak 3147 from cnoeabs.peaks (0.81, 1.72, 41.70 ppm; 2.97 A): 2 out of 6 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 99 100 100 99 1.9-2.5 3.1=85, 3138/1.8=29...(22) QD2 LEU 70 + HB3 LEU 70 OK 98 99 100 99 2.4-2.7 3.1=85, 3138/1.8=29...(21) QD2 LEU 38 - HB3 LEU 70 far 5 100 5 - 4.4-6.8 QD1 ILE 76 - HB3 LEU 70 far 0 96 0 - 5.3-6.9 QG2 VAL 32 - HB3 LEU 70 far 0 96 0 - 7.7-8.9 QG2 ILE 8 - HB3 LEU 70 far 0 79 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3148 from cnoeabs.peaks (0.81, 1.72, 41.70 ppm; 2.97 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 99 100 100 99 2.4-2.7 3.1=85, 3139/1.8=29...(21) QD1 LEU 70 + HB3 LEU 70 OK 98 99 100 99 1.9-2.5 3.1=85, 3139/1.8=29...(22) QD2 LEU 38 - HB3 LEU 70 far 5 96 5 - 4.4-6.8 QD1 ILE 76 - HB3 LEU 70 far 0 100 0 - 5.3-6.9 QD1 LEU 6 - HB3 LEU 70 far 0 63 0 - 7.0-10.0 QG2 VAL 32 - HB3 LEU 70 far 0 87 0 - 7.7-8.9 QG2 ILE 8 - HB3 LEU 70 far 0 91 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3149 from cnoeabs.peaks (8.26, 1.72, 41.70 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 71 + HB3 LEU 70 OK 100 100 100 100 3.3-3.7 7159/1.8=80, 4.1=74...(21) H PHE 45 - HB3 LEU 70 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3150 from cnoeabs.peaks (7.96, 1.70, 27.00 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + HG LEU 70 OK 100 100 100 100 1.9-2.5 3142/3.0=67, 3133/3.0=64...(20) H LEU 42 - HG LEU 70 far 0 100 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 3151 from cnoeabs.peaks (4.02, 1.70, 27.00 ppm; 4.01 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 100 100 3.2-3.6 3.7=100 HA GLU 69 + HG LEU 70 OK 24 85 30 96 5.3-6.1 3.6/3150=55...(17) HA GLU 17 - HG2 PRO 86 far 0 46 0 - 6.5-8.5 HA GLU 16 - HG2 PRO 86 far 0 58 0 - 9.0-10.7 HB3 SER 59 - HG2 PRO 86 far 0 67 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3152 from cnoeabs.peaks (1.37, 1.70, 27.00 ppm; 3.67 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 100 100 2.2-2.4 3.0=100 QB ALA 67 + HG LEU 70 OK 64 73 100 87 3.7-5.0 2.9/7091=21, 2.1/2980=20...(24) HG2 LYS 39 - HG LEU 70 far 0 87 0 - 5.3-7.4 QB ALA 89 - HG2 PRO 86 far 0 51 0 - 5.9-6.2 HG LEU 14 - HG2 PRO 86 far 0 65 0 - 6.0-6.5 HG3 LYS 68 - HG LEU 70 far 0 92 0 - 6.8-8.6 HG12 ILE 8 - HG LEU 70 far 0 100 0 - 9.1-10.3 Violated in 0 structures by 0.00 A. Peak 3153 from cnoeabs.peaks (1.72, 1.70, 27.00 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HG LEU 70 + HG LEU 70 OK 95 95 - 100 HG2 PRO 86 + HG2 PRO 86 OK 60 60 - 100 Reference assignment not found: HB3 LEU 70 - HG LEU 70 Peak 3154 from cnoeabs.peaks (1.70, 1.70, 27.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 70 + HG LEU 70 OK 100 100 - 100 HG2 PRO 86 + HG2 PRO 86 OK 74 74 - 100 Peak 3155 from cnoeabs.peaks (0.81, 1.70, 27.00 ppm; 3.09 A): 3 out of 9 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 99 99 100 100 2.1-2.1 2.1=100 QD2 LEU 38 + HG LEU 70 OK 37 100 55 68 2.8-5.8 2.1/10959=22...(25) QG2 VAL 32 - HG LEU 70 far 0 96 0 - 7.1-8.2 QD1 ILE 76 - HG LEU 70 far 0 96 0 - 7.2-8.7 QG2 ILE 8 - HG LEU 70 far 0 79 0 - 7.6-8.7 QD1 LEU 57 - HG2 PRO 86 far 0 71 0 - 9.1-11.4 QG2 ILE 15 - HG2 PRO 86 far 0 74 0 - 9.1-9.9 QG2 ILE 7 - HG2 PRO 86 far 0 67 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 3156 from cnoeabs.peaks (0.81, 1.70, 27.00 ppm; 3.09 A): 3 out of 11 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 99 99 100 100 2.1-2.1 2.1=100 QD2 LEU 38 + HG LEU 70 OK 36 96 55 68 2.8-5.8 2.1/10959=22...(25) QG2 VAL 32 - HG LEU 70 far 0 87 0 - 7.1-8.2 QD1 ILE 76 - HG LEU 70 far 0 100 0 - 7.2-8.7 QD1 LEU 6 - HG LEU 70 far 0 63 0 - 7.3-10.6 QG2 ILE 8 - HG LEU 70 far 0 91 0 - 7.6-8.7 QD1 ILE 93 - HG2 PRO 86 far 0 39 0 - 8.6-9.2 QD1 LEU 57 - HG2 PRO 86 far 0 64 0 - 9.1-11.4 QG2 ILE 15 - HG2 PRO 86 far 0 75 0 - 9.1-9.9 QG2 ILE 7 - HG2 PRO 86 far 0 73 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 3157 from cnoeabs.peaks (8.26, 1.70, 27.00 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 71 + HG LEU 70 OK 100 100 100 100 3.4-4.2 3149/3.0=89, 3140/3.0=89...(20) Violated in 0 structures by 0.00 A. Peak 3158 from cnoeabs.peaks (7.96, 0.81, 25.21 ppm; 5.87 A): 4 out of 4 assignments used, quality = 1.00: * H LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.6-3.9 4.6=100 H LEU 42 + QD1 LEU 70 OK 71 100 95 75 5.2-7.8 6663/8952=43...(9) H LEU 42 + QD2 LEU 38 OK 64 67 100 95 4.4-7.0 8912/2.1=53, 4.6/8878=34...(13) H LEU 70 + QD2 LEU 38 OK 52 67 100 77 4.4-7.2 10819/2.1=20...(14) Violated in 0 structures by 0.00 A. Peak 3159 from cnoeabs.peaks (4.02, 0.81, 25.21 ppm; 5.20 A): 2 out of 12 assignments used, quality = 1.00: * HA LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.2-3.9 4.0=100 HA GLU 69 + QD1 LEU 70 OK 50 85 60 98 4.4-6.7 3.6/7153=37, 3167/2.1=35...(20) HA LEU 70 - QD2 LEU 38 poor 18 67 45 58 5.8-8.3 3.7/3155=14, ~12070=12...(9) HA GLU 69 - QD2 LEU 38 far 0 51 0 - 7.1-9.8 HB3 SER 97 - QD2 LEU 57 far 0 33 0 - 8.1-10.0 HB3 SER 59 - QD2 LEU 57 far 0 54 0 - 8.2-9.2 HA GLU 95 - QD2 LEU 57 far 0 61 0 - 8.6-9.9 HB3 SER 59 - QD2 LEU 38 far 0 59 0 - 9.1-11.5 HA GLU 75 - QD1 LEU 70 far 0 93 0 - 9.2-10.5 HA GLU 16 - QD2 LEU 57 far 0 46 0 - 9.2-10.8 HA GLU 17 - QD2 LEU 57 far 0 36 0 - 9.4-11.0 HA LYS 20 - QD2 LEU 57 far 0 38 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 3160 from cnoeabs.peaks (1.37, 0.81, 25.21 ppm; 3.49 A): 7 out of 27 assignments used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.3-3.2 3.1=100 HG2 LYS 39 + QD1 LEU 70 OK 77 87 95 94 3.1-5.1 10569=45, 3.9/8952=20...(35) QB ALA 67 + QD1 LEU 70 OK 64 73 100 87 3.1-5.0 3152/2.1=24, 2.1/9524=18...(25) HG12 ILE 8 + QD2 LEU 38 OK 43 66 80 81 3.0-5.4 12204/1399=16, ~12201=15...(21) QB ALA 67 + QD2 LEU 38 OK 35 42 100 84 1.7-3.3 9526=19, 2.1/9524=16...(34) QB ALA 89 + QD2 LEU 57 OK 34 40 100 85 3.4-4.4 2.1/9929=25, ~10698=19...(19) HB2 LEU 70 + QD2 LEU 38 OK 26 67 60 65 3.4-6.3 ~10959=11, ~12070=10...(22) HB3 ARG 30 - QD2 LEU 38 far 0 67 0 - 5.5-8.6 HG12 ILE 8 - QD2 LEU 57 far 0 60 0 - 5.6-7.1 HG2 LYS 39 - QD2 LEU 38 far 0 52 0 - 5.8-7.8 HG LEU 14 - QD2 LEU 57 far 0 52 0 - 5.9-7.1 QB ALA 67 - QD2 LEU 57 far 0 38 0 - 5.9-6.7 HG12 ILE 8 - QD1 LEU 70 far 0 100 0 - 6.8-9.9 HB2 LYS 82 - QD2 LEU 57 far 0 45 0 - 6.9-8.9 HB3 ARG 30 - QD2 LEU 57 far 0 61 0 - 6.9-9.4 QB ALA 25 - QD2 LEU 57 far 0 40 0 - 7.3-8.3 HG3 LYS 68 - QD2 LEU 38 far 0 56 0 - 7.3-9.5 HB3 LEU 27 - QD2 LEU 57 far 0 46 0 - 7.5-8.6 HG3 LYS 68 - QD1 LEU 70 far 0 92 0 - 7.6-8.8 HG3 LYS 94 - QD2 LEU 57 far 0 57 0 - 7.6-10.8 HG3 LYS 40 - QD1 LEU 70 far 0 99 0 - 7.9-10.0 HG3 LYS 40 - QD2 LEU 38 far 0 64 0 - 8.0-9.7 HG3 LYS 68 - QD2 LEU 57 far 0 51 0 - 8.1-11.6 QB ALA 89 - QD2 LEU 38 far 0 45 0 - 8.8-10.9 HG2 LYS 94 - QD2 LEU 57 far 0 40 0 - 9.0-10.7 HB2 LYS 82 - QD2 LEU 38 far 0 50 0 - 9.2-10.6 HB3 ARG 30 - QD1 LEU 70 far 0 100 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 3161 from cnoeabs.peaks (1.72, 0.81, 25.21 ppm; 3.74 A): 5 out of 21 assignments used, quality = 1.00: * HB3 LEU 70 + QD1 LEU 70 OK 100 100 100 100 1.9-2.5 3.1=100 HG LEU 70 + QD1 LEU 70 OK 95 95 100 100 2.1-2.1 2.1=100 HD3 LYS 66 + QD1 LEU 70 OK 63 97 85 76 4.0-6.0 10782=17, 10782/2.1=17...(16) HG LEU 70 + QD2 LEU 38 OK 40 59 85 79 2.8-5.8 10959/2.1=29, 3155=15...(26) HD3 LYS 66 + QD2 LEU 38 OK 24 62 50 76 3.7-8.0 2.9/9517=36, 2.9/9517=23...(13) HB3 LEU 70 - QD2 LEU 38 poor 18 67 40 68 4.4-6.8 ~10959=13, ~12070=12...(21) HD2 ARG 81 - QD2 LEU 57 poor 15 58 25 - 5.0-8.0 HD3 LYS 33 - QD2 LEU 38 far 0 65 0 - 5.9-8.4 HB3 LYS 40 - QD2 LEU 38 far 0 42 0 - 6.1-7.6 HB3 LYS 40 - QD1 LEU 70 far 0 73 0 - 6.2-8.4 HD2 LYS 33 - QD2 LEU 38 far 0 65 0 - 6.2-9.0 HG12 ILE 15 - QD2 LEU 57 far 0 49 0 - 6.6-8.3 HB3 ARG 91 - QD2 LEU 57 far 0 36 0 - 7.4-9.0 HD2 LYS 90 - QD2 LEU 57 far 0 47 0 - 7.6-9.6 HD3 LYS 90 - QD2 LEU 57 far 0 52 0 - 7.8-9.9 HB3 LYS 53 - QD2 LEU 57 far 0 40 0 - 8.1-10.0 HB ILE 15 - QD2 LEU 57 far 0 56 0 - 8.5-10.2 HB2 GLU 28 - QD2 LEU 57 far 0 43 0 - 9.2-10.7 HG12 ILE 15 - QD2 LEU 38 far 0 54 0 - 9.3-11.2 HD3 LYS 33 - QD1 LEU 70 far 0 99 0 - 9.3-12.0 HD2 LYS 33 - QD1 LEU 70 far 0 99 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 3162 from cnoeabs.peaks (1.70, 0.81, 25.21 ppm; 3.74 A): 6 out of 24 assignments used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 70 + QD1 LEU 70 OK 95 95 100 100 1.9-2.5 3.1=100 HD3 LYS 66 + QD1 LEU 70 OK 66 100 85 77 4.0-6.0 10782=18, 10782/2.1=17...(16) HG LEU 70 + QD2 LEU 38 OK 48 67 85 83 2.8-5.8 10959/2.1=31...(28) HD2 LYS 73 + QD1 LEU 70 OK 30 75 60 67 3.7-6.5 ~10854=16, 10854/2.1=15...(11) HD3 LYS 66 + QD2 LEU 38 OK 26 67 50 78 3.7-8.0 2.9/9517=36, 2.9/9517=23...(15) HB3 LEU 70 - QD2 LEU 38 poor 17 59 40 70 4.4-6.8 ~10959=13, ~12070=12...(21) HD2 ARG 81 - QD2 LEU 57 poor 11 43 25 - 5.0-8.0 HD3 LYS 73 - QD1 LEU 70 far 11 71 15 - 4.9-6.9 HD3 LYS 33 - QD2 LEU 38 far 0 50 0 - 5.9-8.4 HB3 LYS 40 - QD2 LEU 38 far 0 61 0 - 6.1-7.6 HB3 LYS 40 - QD1 LEU 70 far 0 96 0 - 6.2-8.4 HD2 LYS 33 - QD2 LEU 38 far 0 50 0 - 6.2-9.0 HG12 ILE 15 - QD2 LEU 57 far 0 60 0 - 6.6-8.3 HB3 ARG 91 - QD2 LEU 57 far 0 54 0 - 7.4-9.0 HD2 LYS 73 - QD2 LEU 38 far 0 43 0 - 7.6-10.1 HD3 LYS 90 - QD2 LEU 57 far 0 61 0 - 7.8-9.9 HB3 LYS 53 - QD2 LEU 57 far 0 57 0 - 8.1-10.0 HD3 LYS 73 - QD2 LEU 38 far 0 41 0 - 8.2-11.2 HB ILE 15 - QD2 LEU 57 far 0 39 0 - 8.5-10.2 HG12 ILE 15 - QD2 LEU 38 far 0 66 0 - 9.3-11.2 HD3 LYS 33 - QD1 LEU 70 far 0 84 0 - 9.3-12.0 HG3 LYS 20 - QD2 LEU 57 far 0 47 0 - 9.4-12.7 HD2 LYS 33 - QD1 LEU 70 far 0 84 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 3163 from cnoeabs.peaks (0.81, 0.81, 25.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 QD2 LEU 38 + QD2 LEU 38 OK 66 66 - 100 QD2 LEU 57 + QD2 LEU 57 OK 51 51 - 100 Peak 3164 from cnoeabs.peaks (0.81, 0.81, 25.21 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: QD1 LEU 70 + QD1 LEU 70 OK 99 99 - 100 QD2 LEU 38 + QD2 LEU 38 OK 61 61 - 100 QD2 LEU 57 + QD2 LEU 57 OK 57 57 - 100 Reference assignment not found: QD2 LEU 70 - QD1 LEU 70 Peak 3165 from cnoeabs.peaks (8.26, 0.81, 25.21 ppm; 6.50 A): 3 out of 8 assignments used, quality = 1.00: * H ALA 71 + QD1 LEU 70 OK 100 100 100 100 4.0-4.7 3149/3.1=100...(23) H ALA 71 + QD2 LEU 38 OK 39 67 100 58 4.3-7.4 7157/3158=15...(11) H LYS 94 + QD2 LEU 57 OK 38 61 100 63 6.5-7.1 3.6/9360=27...(7) H LEU 103 - QD2 LEU 57 far 4 43 10 - 6.9-13.2 H PHE 45 - QD2 LEU 38 far 0 67 0 - 8.1-11.1 H GLU 23 - QD2 LEU 57 far 0 54 0 - 8.4-10.4 H PHE 45 - QD1 LEU 70 far 0 100 0 - 9.2-11.4 H LEU 27 - QD2 LEU 57 far 0 52 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 3166 from cnoeabs.peaks (7.96, 0.81, 24.20 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-3.6 4.6=81, 3150/2.1=81...(24) H LEU 42 - QD2 LEU 70 far 5 100 5 - 5.4-8.7 Violated in 0 structures by 0.00 A. Peak 3167 from cnoeabs.peaks (4.02, 0.81, 24.20 ppm; 3.32 A): 2 out of 7 assignments used, quality = 1.00: * HA LEU 70 + QD2 LEU 70 OK 100 100 100 100 1.9-3.9 4.0=56, 3.0/3166=37...(32) HA GLU 69 + QD2 LEU 70 OK 55 85 75 85 4.3-6.4 3.6/3166=33, 3.0/9535=14...(24) HB3 SER 59 - QD1 LEU 57 far 0 51 0 - 6.7-8.3 HA GLU 95 - QD1 LEU 57 far 0 58 0 - 8.8-10.0 HA GLU 75 - QD2 LEU 70 far 0 93 0 - 9.1-9.8 HB3 SER 97 - QD1 LEU 57 far 0 31 0 - 9.1-11.1 HA GLU 17 - QD1 LEU 57 far 0 35 0 - 9.6-11.4 Violated in 1 structures by 0.03 A. Peak 3168 from cnoeabs.peaks (1.37, 0.81, 24.20 ppm; 3.23 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.3-3.2 3.1=100 QB ALA 89 + QD1 LEU 57 OK 32 38 100 84 2.4-4.7 2.9/9926=21, 2.1/9929=19...(21) HG2 LYS 39 + QD2 LEU 70 OK 32 87 40 91 3.4-6.6 3.9/10822=30...(36) QB ALA 67 - QD2 LEU 70 far 11 73 15 - 3.3-5.8 HG LEU 14 - QD1 LEU 57 far 0 50 0 - 5.0-7.5 HB2 LYS 82 - QD1 LEU 57 far 0 43 0 - 5.9-6.9 QB ALA 67 - QD1 LEU 57 far 0 36 0 - 6.4-7.8 HG3 LYS 68 - QD2 LEU 70 far 0 92 0 - 6.7-8.9 HG12 ILE 8 - QD1 LEU 57 far 0 58 0 - 6.7-8.1 HG3 LYS 94 - QD1 LEU 57 far 0 55 0 - 7.3-10.6 HG3 LYS 68 - QD1 LEU 57 far 0 49 0 - 7.8-11.8 HG3 LYS 40 - QD2 LEU 70 far 0 99 0 - 7.9-11.1 HG12 ILE 8 - QD2 LEU 70 far 0 100 0 - 7.9-10.5 QB ALA 25 - QD1 LEU 57 far 0 38 0 - 8.4-9.3 HG2 LYS 94 - QD1 LEU 57 far 0 38 0 - 8.6-10.8 HB3 ARG 30 - QD1 LEU 57 far 0 58 0 - 9.2-11.2 HB3 LEU 27 - QD1 LEU 57 far 0 44 0 - 9.2-10.6 HB3 ARG 30 - QD2 LEU 70 far 0 100 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 3169 from cnoeabs.peaks (1.72, 0.81, 24.20 ppm; 2.90 A): 3 out of 14 assignments used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 99 100 100 99 2.4-2.7 3.1=79, 3147/2.1=30...(21) HG LEU 70 + QD2 LEU 70 OK 95 95 100 100 2.1-2.1 2.1=100 HD3 LYS 66 + QD2 LEU 70 OK 42 97 75 58 3.3-6.1 2.9/10821=10...(14) HD2 ARG 81 - QD1 LEU 57 poor 11 56 20 - 4.3-5.7 HB3 ARG 91 - QD1 LEU 57 far 0 35 0 - 5.7-8.1 HB3 LYS 40 - QD2 LEU 70 far 0 73 0 - 6.2-9.6 HD3 LYS 90 - QD1 LEU 57 far 0 50 0 - 6.7-9.1 HD2 LYS 90 - QD1 LEU 57 far 0 45 0 - 6.7-8.8 HG12 ILE 15 - QD1 LEU 57 far 0 47 0 - 7.4-8.9 HB3 LYS 53 - QD1 LEU 57 far 0 38 0 - 8.7-11.7 HD2 LYS 13 - QD1 LEU 57 far 0 53 0 - 8.9-13.2 HG2 PRO 86 - QD1 LEU 57 far 0 46 0 - 9.1-11.4 HD3 LYS 13 - QD1 LEU 57 far 0 54 0 - 9.2-12.9 HB ILE 15 - QD1 LEU 57 far 0 53 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 3170 from cnoeabs.peaks (1.70, 0.81, 24.20 ppm; 2.90 A): 5 out of 15 assignments used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LEU 70 + QD2 LEU 70 OK 93 95 100 99 2.4-2.7 3.1=79, 1.8/3139=28...(20) HD3 LYS 66 + QD2 LEU 70 OK 45 100 75 60 3.3-6.1 2.9/10821=10...(15) HD2 LYS 73 + QD2 LEU 70 OK 42 75 95 59 2.2-6.0 1.8/10854=14...(12) HD3 LYS 73 + QD2 LEU 70 OK 32 71 75 61 3.0-6.9 3.0/10395=14...(13) HD2 ARG 81 - QD1 LEU 57 poor 8 42 20 - 4.3-5.7 HB3 ARG 91 - QD1 LEU 57 far 0 52 0 - 5.7-8.1 HB3 LYS 40 - QD2 LEU 70 far 0 96 0 - 6.2-9.6 HD3 LYS 90 - QD1 LEU 57 far 0 58 0 - 6.7-9.1 HG12 ILE 15 - QD1 LEU 57 far 0 58 0 - 7.4-8.9 HB3 LYS 53 - QD1 LEU 57 far 0 54 0 - 8.7-11.7 HD2 LYS 13 - QD1 LEU 57 far 0 58 0 - 8.9-13.2 HG2 PRO 86 - QD1 LEU 57 far 0 58 0 - 9.1-11.4 HD3 LYS 13 - QD1 LEU 57 far 0 58 0 - 9.2-12.9 HB ILE 15 - QD1 LEU 57 far 0 37 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 3171 from cnoeabs.peaks (0.81, 0.81, 24.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 70 + QD2 LEU 70 OK 99 99 - 100 QD1 LEU 57 + QD1 LEU 57 OK 55 55 - 100 Reference assignment not found: QD1 LEU 70 - QD2 LEU 70 Peak 3172 from cnoeabs.peaks (0.81, 0.81, 24.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 QD1 LEU 57 + QD1 LEU 57 OK 49 49 - 100 Peak 3173 from cnoeabs.peaks (8.26, 0.81, 24.20 ppm; 4.80 A): 1 out of 4 assignments used, quality = 1.00: * H ALA 71 + QD2 LEU 70 OK 100 100 100 100 4.0-4.5 3149/3.1=82, 7159/3.1=81...(24) H LYS 94 - QD1 LEU 57 far 0 58 0 - 6.5-7.4 H LEU 103 - QD1 LEU 57 far 0 42 0 - 7.5-12.5 H PHE 45 - QD2 LEU 70 far 0 100 0 - 9.4-12.2 Violated in 0 structures by 0.00 A. Peak 3174 from cnoeabs.peaks (8.26, 3.85, 55.14 ppm; 3.33 A): 4 out of 6 assignments used, quality = 1.00: * H ALA 71 + HA ALA 71 OK 100 100 100 100 2.7-2.7 3.0=100 H ALA 71 + HA ALA 67 OK 69 80 100 87 3.5-4.4 7164=38, 10805/7121=23...(13) H GLU 23 + HA ALA 22 OK 53 54 100 99 3.5-3.6 3.6=81, 6354/3.0=51...(19) H LEU 27 + HA ALA 22 OK 49 51 100 95 3.5-4.1 8638=51, 6440/2.1=28...(17) H LYS 94 - HA ALA 22 far 0 60 0 - 5.5-7.2 H PHE 45 - HA ALA 71 far 0 100 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 3175 from cnoeabs.peaks (3.85, 3.85, 55.14 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA ALA 71 + HA ALA 71 OK 100 100 - 100 HA ALA 67 + HA ALA 67 OK 78 78 - 100 HA ALA 22 + HA ALA 22 OK 51 51 - 100 Peak 3176 from cnoeabs.peaks (1.41, 3.85, 55.14 ppm; 2.77 A): 2 out of 8 assignments used, quality = 1.00: * QB ALA 71 + HA ALA 71 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 22 + HA ALA 22 OK 45 45 100 100 2.1-2.1 2.1=100 QB ALA 71 - HA ALA 67 poor 16 80 20 - 4.0-5.3 HG13 ILE 76 - HA ALA 71 far 0 84 0 - 4.9-6.1 HG3 LYS 39 - HA ALA 67 far 0 53 0 - 5.3-8.9 HG3 LYS 39 - HA ALA 71 far 0 75 0 - 5.5-8.5 HG LEU 29 - HA ALA 22 far 0 45 0 - 5.8-8.0 HG3 LYS 94 - HA ALA 22 far 0 40 0 - 6.3-9.4 Violated in 0 structures by 0.00 A. Peak 3177 from cnoeabs.peaks (7.91, 3.85, 55.14 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * H GLN 72 + HA ALA 71 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 69 + HA ALA 67 OK 78 79 100 99 4.0-4.8 7121=92, 7122/7104=65...(12) H GLN 72 - HA ALA 67 far 0 80 0 - 6.2-6.8 H GLU 69 - HA ALA 71 far 0 100 0 - 6.7-7.3 H ASP 65 - HA ALA 67 far 0 75 0 - 7.0-7.3 Violated in 0 structures by 0.00 A. Peak 3178 from cnoeabs.peaks (8.26, 1.41, 18.49 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 71 + QB ALA 71 OK 100 100 100 100 2.0-2.2 2.9=100 H PHE 45 - QB ALA 71 far 0 100 0 - 7.5-9.0 H LEU 103 - QB ALA 71 far 0 82 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 3179 from cnoeabs.peaks (3.85, 1.41, 18.49 ppm; 2.76 A): 1 out of 8 assignments used, quality = 1.00: * HA ALA 71 + QB ALA 71 OK 100 100 100 100 2.1-2.1 2.1=100 HA ALA 67 - QB ALA 71 poor 20 99 20 - 4.0-5.3 HA LEU 38 - QB ALA 71 far 0 81 0 - 6.3-7.5 HA GLU 43 - QB ALA 71 far 0 63 0 - 6.9-8.0 HB3 SER 49 - QB ALA 71 far 0 99 0 - 8.3-13.0 HA LYS 40 - QB ALA 71 far 0 93 0 - 8.4-9.5 HA2 GLY 101 - QB ALA 71 far 0 92 0 - 8.9-14.7 HB3 SER 102 - QB ALA 71 far 0 68 0 - 9.3-16.0 Violated in 0 structures by 0.00 A. Peak 3180 from cnoeabs.peaks (1.41, 1.41, 18.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 71 + QB ALA 71 OK 100 100 - 100 Peak 3181 from cnoeabs.peaks (7.91, 1.41, 18.49 ppm; 3.43 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 72 + QB ALA 71 OK 100 100 100 100 2.6-2.8 7170=100, 7168/7165=61...(18) H GLU 69 + QB ALA 71 OK 43 100 65 66 4.6-5.2 10805/2.9=37, ~10806=12...(10) H ASP 65 - QB ALA 71 far 0 98 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 3182 from cnoeabs.peaks (7.91, 4.15, 58.19 ppm; 3.22 A): 1 out of 4 assignments used, quality = 1.00: * H GLN 72 + HA GLN 72 OK 100 100 100 100 2.8-2.9 3.0=100 H GLN 72 - HA LYS 73 far 0 58 0 - 5.1-5.3 H GLU 69 - HA GLN 72 far 0 100 0 - 7.4-7.8 H GLU 69 - HA LYS 73 far 0 57 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 3183 from cnoeabs.peaks (4.15, 4.15, 58.19 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLN 72 + HA GLN 72 OK 100 100 - 100 HA LYS 13 + HA LYS 13 OK 70 70 - 100 HA LYS 73 + HA LYS 73 OK 50 50 - 100 Peak 3184 from cnoeabs.peaks (2.16, 4.15, 58.19 ppm; 3.00 A): 2 out of 21 assignments used, quality = 1.00: * HB2 GLN 72 + HA GLN 72 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLU 16 + HA LYS 13 OK 26 70 50 73 3.0-5.1 6238/6226=31, 703=28...(8) HG3 GLU 75 - HA LYS 73 poor 20 55 95 38 3.9-5.3 10864/3.6=10, 4.0/9619=9...(7) HG3 GLU 75 - HA GLN 72 far 15 99 15 - 4.3-7.3 HB2 GLN 72 - HA LYS 73 far 9 58 15 - 4.2-4.8 HG2 GLU 75 - HA LYS 73 far 3 56 5 - 3.9-5.9 HG2 GLU 75 - HA GLN 72 far 0 99 0 - 4.7-6.3 HB3 GLU 75 - HA GLN 72 far 0 84 0 - 5.5-6.7 HB2 GLU 75 - HA GLN 72 far 0 81 0 - 5.8-7.0 HB2 GLU 75 - HA LYS 73 far 0 40 0 - 6.2-6.7 HB3 GLU 75 - HA LYS 73 far 0 42 0 - 6.5-7.3 HB3 GLU 69 - HA LYS 73 far 0 30 0 - 6.5-8.6 HG2 GLU 69 - HA LYS 73 far 0 30 0 - 6.8-10.3 HB3 GLU 69 - HA GLN 72 far 0 63 0 - 7.1-8.1 HG2 GLU 69 - HA GLN 72 far 0 63 0 - 7.2-9.7 HG3 PRO 86 - HA LYS 13 far 0 44 0 - 7.3-8.8 HB2 GLU 69 - HA LYS 73 far 0 30 0 - 7.4-9.0 HB2 GLU 69 - HA GLN 72 far 0 63 0 - 7.7-8.5 HG2 GLU 43 - HA LYS 73 far 0 43 0 - 8.4-11.6 HG2 GLU 43 - HA GLN 72 far 0 85 0 - 9.6-12.6 HG3 GLU 35 - HA LYS 73 far 0 34 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3185 from cnoeabs.peaks (2.23, 4.15, 58.19 ppm; 3.08 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLN 72 + HA GLN 72 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLN 72 + HA LYS 73 OK 47 58 85 95 4.0-5.6 7199/3.0=40, 3201=33...(17) HG2 GLU 17 - HA LYS 13 poor 14 68 40 51 4.1-5.7 1.8/3186=16...(11) HG3 GLU 35 - HA LYS 73 far 0 27 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 3186 from cnoeabs.peaks (2.42, 4.15, 58.19 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.99: * HG2 GLN 72 + HA GLN 72 OK 99 100 100 99 2.6-3.8 3.9=72, 7174/3.0=49...(14) HG3 GLU 17 + HA LYS 13 OK 38 69 95 58 3.3-5.5 758/10427=16, 760/3.0=14...(11) HG2 GLN 72 - HA LYS 73 far 9 58 15 - 3.5-6.5 HB2 ASP 11 - HA LYS 13 far 0 68 0 - 7.0-7.4 Violated in 4 structures by 0.01 A. Peak 3187 from cnoeabs.peaks (2.54, 4.15, 58.19 ppm; 3.73 A): 3 out of 4 assignments used, quality = 1.00: * HG3 GLN 72 + HA GLN 72 OK 100 100 100 100 2.5-3.9 3.9=90, 1.8/3186=58...(18) HG2 MET 74 + HA GLN 72 OK 64 99 85 76 4.4-7.8 7228/10848=28...(8) HG2 MET 74 + HA LYS 73 OK 41 55 80 93 4.7-6.6 7228/3.6=50...(14) HG3 GLN 72 - HA LYS 73 far 6 58 10 - 5.0-6.5 Violated in 0 structures by 0.00 A. Peak 3190 from cnoeabs.peaks (7.84, 4.15, 58.19 ppm; 3.52 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 73 + HA GLN 72 OK 100 100 100 100 3.5-3.5 3.6=97, 7196/3.0=62...(14) H LYS 73 + HA LYS 73 OK 58 58 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3191 from cnoeabs.peaks (7.91, 2.16, 28.06 ppm; 3.27 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 72 + HB2 GLN 72 OK 100 100 100 100 3.5-3.6 7172=100, 7173/1.8=77...(13) H GLU 69 - HB2 GLN 72 far 0 100 0 - 6.9-7.3 Violated in 20 structures by 0.32 A. Peak 3192 from cnoeabs.peaks (4.15, 2.16, 28.06 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.3-2.6 3.0=100 HA LYS 73 + HB2 GLN 72 OK 92 95 100 97 4.2-4.8 3.0/7198=51, 3201/1.8=31...(18) Violated in 0 structures by 0.00 A. Peak 3193 from cnoeabs.peaks (2.16, 2.16, 28.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 72 + HB2 GLN 72 OK 100 100 - 100 Peak 3194 from cnoeabs.peaks (2.23, 2.16, 28.06 ppm; 2.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 72 + HB2 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3195 from cnoeabs.peaks (2.42, 2.16, 28.06 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3196 from cnoeabs.peaks (2.54, 2.16, 28.06 ppm; 3.77 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + HB2 GLN 72 OK 100 100 100 100 2.6-3.0 3.0=100 HG2 MET 74 - HB2 GLN 72 far 0 99 0 - 6.3-9.4 Violated in 0 structures by 0.00 A. Peak 3199 from cnoeabs.peaks (7.84, 2.16, 28.06 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + HB2 GLN 72 OK 100 100 100 100 3.5-4.0 7198=100, 7199/1.8=84...(15) Violated in 0 structures by 0.00 A. Peak 3200 from cnoeabs.peaks (7.91, 2.23, 28.06 ppm; 3.26 A): 1 out of 2 assignments used, quality = 1.00: * H GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.6-2.9 7173=100, 7172/1.8=75...(14) H GLU 69 - HB3 GLN 72 far 0 100 0 - 5.7-6.5 Violated in 0 structures by 0.00 A. Peak 3201 from cnoeabs.peaks (4.15, 2.23, 28.06 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 73 + HB3 GLN 72 OK 79 95 85 98 4.0-5.6 3.0/7199=49, 3192/1.8=34...(17) Violated in 0 structures by 0.00 A. Peak 3202 from cnoeabs.peaks (2.16, 2.23, 28.06 ppm; 2.40 A): 1 out of 9 assignments used, quality = 1.00: * HB2 GLN 72 + HB3 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 69 - HB3 GLN 72 far 0 63 0 - 4.2-6.7 HG2 GLU 69 - HB3 GLN 72 far 0 63 0 - 4.6-8.2 HB2 GLU 69 - HB3 GLN 72 far 0 63 0 - 5.3-7.3 HG3 GLU 75 - HB3 GLN 72 far 0 99 0 - 6.0-8.6 HG2 GLU 75 - HB3 GLN 72 far 0 99 0 - 6.7-7.6 HB3 GLU 75 - HB3 GLN 72 far 0 84 0 - 7.7-8.7 HB2 GLU 75 - HB3 GLN 72 far 0 81 0 - 8.1-9.0 HG3 GLU 35 - HB3 GLN 72 far 0 71 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 3203 from cnoeabs.peaks (2.23, 2.23, 28.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 72 + HB3 GLN 72 OK 100 100 - 100 Peak 3204 from cnoeabs.peaks (2.42, 2.23, 28.06 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3205 from cnoeabs.peaks (2.54, 2.23, 28.06 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + HB3 GLN 72 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 74 - HB3 GLN 72 far 0 99 0 - 5.7-8.8 Violated in 0 structures by 0.00 A. Peak 3208 from cnoeabs.peaks (7.84, 2.23, 28.06 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + HB3 GLN 72 OK 100 100 100 100 2.6-4.1 7199=100, 7198/1.8=88...(15) Violated in 1 structures by 0.00 A. Peak 3209 from cnoeabs.peaks (7.91, 2.42, 33.99 ppm; 4.24 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 72 + HG2 GLN 72 OK 100 100 100 100 1.9-3.1 7174=100, 7173/3.0=83...(17) H GLU 69 + HG2 GLN 72 OK 86 100 90 96 4.2-5.8 3218/1.8=39...(21) H ASP 65 - HG2 GLN 72 far 0 98 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 3210 from cnoeabs.peaks (4.15, 2.42, 33.99 ppm; 3.97 A): 1 out of 6 assignments used, quality = 1.00: * HA GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.6-3.8 3.9=100 HA LYS 73 - HG2 GLN 72 far 14 95 15 - 3.5-6.5 HA MET 1 - HG2 GLN 50 poor 14 71 20 - 4.7-10.3 HA MET 1 - HG3 GLN 50 far 0 97 0 - 6.0-10.9 HA LYS 47 - HG2 GLN 50 far 0 68 0 - 6.1-11.5 HA LYS 47 - HG3 GLN 50 far 0 95 0 - 6.8-11.4 Violated in 0 structures by 0.00 A. Peak 3211 from cnoeabs.peaks (2.16, 2.42, 33.99 ppm; 3.29 A): 4 out of 22 assignments used, quality = 1.00: * HB2 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 GLN 50 + HG3 GLN 50 OK 95 95 100 100 2.2-3.0 2.9=100 HB3 GLN 50 + HG2 GLN 50 OK 68 68 100 100 2.2-3.0 2.9=100 HB3 GLU 69 + HG2 GLN 72 OK 27 63 55 79 4.1-6.1 3.0/9561=14, 4.0/3209=13...(18) HG2 GLU 69 - HG2 GLN 72 far 10 63 15 - 4.0-7.4 HB2 GLU 69 - HG2 GLN 72 far 10 63 15 - 4.4-6.6 HG2 MET 1 - HG2 GLN 50 far 0 41 0 - 5.8-12.2 HB3 GLU 75 - HG3 GLN 50 far 0 79 0 - 6.2-15.1 HB2 GLU 75 - HG3 GLN 50 far 0 76 0 - 6.2-15.2 HG3 GLU 75 - HG2 GLN 72 far 0 99 0 - 6.3-9.9 HG2 GLU 75 - HG2 GLN 72 far 0 99 0 - 7.1-9.2 HG2 MET 1 - HG3 GLN 50 far 0 63 0 - 7.2-13.0 HB2 GLU 75 - HG2 GLN 50 far 0 50 0 - 7.2-15.1 HB3 GLU 75 - HG2 GLN 50 far 0 53 0 - 7.4-14.8 HB3 GLU 75 - HG2 GLN 72 far 0 84 0 - 8.1-10.0 HG2 GLU 75 - HG3 GLN 50 far 0 96 0 - 8.2-17.3 HB2 GLU 75 - HG2 GLN 72 far 0 81 0 - 8.4-10.3 HG3 GLU 75 - HG3 GLN 50 far 0 95 0 - 8.6-17.8 HG3 GLU 35 - HG2 GLN 72 far 0 71 0 - 9.0-13.1 HG2 GLU 35 - HG2 GLN 72 far 0 71 0 - 9.4-14.2 HG2 GLU 75 - HG2 GLN 50 far 0 69 0 - 9.5-17.1 HG3 GLU 75 - HG2 GLN 50 far 0 68 0 - 9.8-17.5 Violated in 0 structures by 0.00 A. Peak 3212 from cnoeabs.peaks (2.23, 2.42, 33.99 ppm; 3.30 A): 1 out of 5 assignments used, quality = 1.00: * HB3 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 1 - HG2 GLN 50 far 0 38 0 - 5.8-12.2 HG2 MET 1 - HG3 GLN 50 far 0 59 0 - 7.2-13.0 HG3 GLU 35 - HG2 GLN 72 far 0 59 0 - 9.0-13.1 HG2 GLU 35 - HG2 GLN 72 far 0 59 0 - 9.4-14.2 Violated in 0 structures by 0.00 A. Peak 3213 from cnoeabs.peaks (2.42, 2.42, 33.99 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLN 72 + HG2 GLN 72 OK 100 100 - 100 HG3 GLN 50 + HG3 GLN 50 OK 97 97 - 100 HG2 GLN 50 + HG2 GLN 50 OK 55 55 - 100 Peak 3214 from cnoeabs.peaks (2.54, 2.42, 33.99 ppm; 2.42 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLN 72 + HG2 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 MET 74 - HG2 GLN 72 far 0 99 0 - 5.3-10.2 Violated in 0 structures by 0.00 A. Peak 3215 from cnoeabs.peaks (6.85, 2.42, 33.99 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.3-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 3216 from cnoeabs.peaks (7.44, 2.42, 33.99 ppm; 5.26 A): 1 out of 5 assignments used, quality = 1.00: * HE22 GLN 72 + HG2 GLN 72 OK 100 100 100 100 2.3-4.1 3.5=100 HE ARG 46 - HG2 GLN 50 far 0 49 0 - 7.4-15.8 H LYS 47 - HG2 GLN 50 far 0 46 0 - 7.7-11.7 HE ARG 46 - HG3 GLN 50 far 0 74 0 - 7.9-15.8 H LYS 47 - HG3 GLN 50 far 0 70 0 - 8.0-11.7 Violated in 0 structures by 0.00 A. Peak 3217 from cnoeabs.peaks (7.84, 2.42, 33.99 ppm; 5.99 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 73 + HG2 GLN 72 OK 100 100 100 100 2.1-4.5 7200=100, 7198/3.0=100...(14) H LYS 66 - HG2 GLN 72 far 0 59 0 - 8.7-10.6 H LEU 3 - HG2 GLN 50 far 0 71 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 3218 from cnoeabs.peaks (7.91, 2.54, 33.99 ppm; 4.06 A): 2 out of 3 assignments used, quality = 1.00: * H GLN 72 + HG3 GLN 72 OK 100 100 100 100 1.9-2.6 7174/1.8=83, 7173/3.0=79...(19) H GLU 69 + HG3 GLN 72 OK 91 100 95 96 4.1-5.6 3209/1.8=33, 4.6/9563=28...(21) H ASP 65 - HG3 GLN 72 far 0 98 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 3219 from cnoeabs.peaks (4.15, 2.54, 33.99 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * HA GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.5-3.9 3.9=100 HA LYS 73 - HG3 GLN 72 far 9 95 10 - 5.0-6.5 Violated in 0 structures by 0.00 A. Peak 3220 from cnoeabs.peaks (2.16, 2.54, 33.99 ppm; 3.76 A): 3 out of 10 assignments used, quality = 1.00: * HB2 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 GLU 69 + HG3 GLN 72 OK 30 63 55 86 4.1-6.1 3.0/9562=23, 4.0/3218=19...(17) HB2 GLU 69 + HG3 GLN 72 OK 30 63 55 86 4.7-6.6 3.0/9562=23, 4.0/3218=19...(17) HG2 GLU 69 - HG3 GLN 72 far 0 63 0 - 5.6-7.4 HG3 GLU 75 - HG3 GLN 72 far 0 99 0 - 7.1-10.4 HG2 GLU 75 - HG3 GLN 72 far 0 99 0 - 7.4-9.4 HB3 GLU 75 - HG3 GLN 72 far 0 84 0 - 8.0-10.2 HB2 GLU 75 - HG3 GLN 72 far 0 81 0 - 8.4-10.4 HG3 GLU 35 - HG3 GLN 72 far 0 71 0 - 8.6-13.8 HG2 GLU 35 - HG3 GLN 72 far 0 71 0 - 8.7-14.8 Violated in 0 structures by 0.00 A. Peak 3221 from cnoeabs.peaks (2.23, 2.54, 33.99 ppm; 3.48 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 35 - HG3 GLN 72 far 0 59 0 - 8.6-13.8 HG2 GLU 35 - HG3 GLN 72 far 0 59 0 - 8.7-14.8 Violated in 0 structures by 0.00 A. Peak 3222 from cnoeabs.peaks (2.42, 2.54, 33.99 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 72 + HG3 GLN 72 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3223 from cnoeabs.peaks (2.54, 2.54, 33.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 72 + HG3 GLN 72 OK 100 100 - 100 Peak 3224 from cnoeabs.peaks (6.85, 2.54, 33.99 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.1-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 3225 from cnoeabs.peaks (7.44, 2.54, 33.99 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 72 + HG3 GLN 72 OK 100 100 100 100 2.1-3.8 3.5=100 Violated in 0 structures by 0.00 A. Peak 3226 from cnoeabs.peaks (7.84, 2.54, 33.99 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 73 + HG3 GLN 72 OK 100 100 100 100 2.7-4.6 7198/3.0=98, 7200/1.8=97...(14) H LYS 66 - HG3 GLN 72 far 0 59 0 - 8.9-10.4 Violated in 0 structures by 0.00 A. Peak 3227 from cnoeabs.peaks (7.84, 4.17, 57.87 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 73 + HA LYS 73 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 73 + HA GLN 72 OK 57 58 100 99 3.5-3.5 3.6=81, 7196/3.0=56...(13) Violated in 0 structures by 0.00 A. Peak 3228 from cnoeabs.peaks (4.17, 4.17, 57.87 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 73 + HA LYS 73 OK 100 100 - 100 HA GLN 72 + HA GLN 72 OK 50 50 - 100 HA LYS 47 + HA LYS 47 OK 40 40 - 100 Peak 3229 from cnoeabs.peaks (1.96, 4.17, 57.87 ppm; 2.80 A): 4 out of 15 assignments used, quality = 1.00: * HB2 LYS 73 + HA LYS 73 OK 98 100 100 98 3.0-3.0 3.0=84, 2.9/3231=23...(28) HB3 LYS 73 + HA LYS 73 OK 98 100 100 98 2.3-2.6 3.0=84, 2.9/3231=23...(28) HB2 LYS 47 + HA LYS 47 OK 53 54 100 98 2.4-3.0 3.0=80, 2134/2.9=34...(30) HB3 LYS 47 + HA LYS 47 OK 33 34 100 98 2.6-3.0 3.0=80, 2146/2.9=21...(32) HB2 ARG 46 - HA LYS 47 poor 15 50 30 - 4.1-5.5 HB3 ARG 46 - HA LYS 47 far 6 57 10 - 4.0-5.4 HB3 MET 74 - HA GLN 72 far 0 57 0 - 5.1-7.1 HB2 LYS 73 - HA GLN 72 far 0 58 0 - 5.6-6.0 HB3 MET 74 - HA LYS 73 far 0 100 0 - 5.7-6.6 HB3 LYS 73 - HA GLN 72 far 0 58 0 - 6.6-6.6 HB3 MET 74 - HA LYS 47 far 0 57 0 - 7.6-10.5 HB2 ARG 46 - HA GLN 72 far 0 50 0 - 8.0-12.2 HB2 ARG 46 - HA LYS 73 far 0 95 0 - 8.4-12.0 HB3 ARG 46 - HA GLN 72 far 0 58 0 - 8.7-12.0 HB3 ARG 46 - HA LYS 73 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 3230 from cnoeabs.peaks (1.96, 4.17, 57.87 ppm; 2.80 A): 4 out of 15 assignments used, quality = 1.00: HB2 LYS 73 + HA LYS 73 OK 98 100 100 98 3.0-3.0 3.0=84, 2.9/3231=23...(28) * HB3 LYS 73 + HA LYS 73 OK 98 100 100 98 2.3-2.6 3.0=84, 2.9/3231=23...(28) HB2 LYS 47 + HA LYS 47 OK 53 54 100 98 2.4-3.0 3.0=80, 2134/2.9=34...(30) HB3 LYS 47 + HA LYS 47 OK 34 35 100 98 2.6-3.0 3.0=80, 2146/2.9=22...(32) HB2 ARG 46 - HA LYS 47 poor 15 49 30 - 4.1-5.5 HB3 ARG 46 - HA LYS 47 far 6 57 10 - 4.0-5.4 HB3 MET 74 - HA GLN 72 far 0 57 0 - 5.1-7.1 HB2 LYS 73 - HA GLN 72 far 0 58 0 - 5.6-6.0 HB3 MET 74 - HA LYS 73 far 0 100 0 - 5.7-6.6 HB3 LYS 73 - HA GLN 72 far 0 58 0 - 6.6-6.6 HB3 MET 74 - HA LYS 47 far 0 57 0 - 7.6-10.5 HB2 ARG 46 - HA GLN 72 far 0 50 0 - 8.0-12.2 HB2 ARG 46 - HA LYS 73 far 0 94 0 - 8.4-12.0 HB3 ARG 46 - HA GLN 72 far 0 57 0 - 8.7-12.0 HB3 ARG 46 - HA LYS 73 far 0 100 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 3231 from cnoeabs.peaks (1.49, 4.17, 57.87 ppm; 3.32 A): 2 out of 5 assignments used, quality = 1.00: * HG2 LYS 73 + HA LYS 73 OK 99 100 100 99 2.5-3.3 4.1=54, 7207/3.0=43...(46) HG2 LYS 47 + HA LYS 47 OK 57 57 100 99 2.4-3.4 3.9=62, 6772/2.9=44...(59) HG2 LYS 73 - HA GLN 72 far 0 58 0 - 5.4-6.0 HG13 ILE 52 - HA LYS 47 far 0 32 0 - 6.1-10.9 HG12 ILE 56 - HA GLN 72 far 0 27 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 3232 from cnoeabs.peaks (1.60, 4.17, 57.87 ppm; 3.68 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 73 + HA LYS 73 OK 100 100 100 100 2.3-3.5 4.1=74, 7208/3.0=60...(53) HG3 LYS 47 + HA LYS 47 OK 44 44 100 100 2.5-3.5 3.9=84, 6773/2.9=54...(68) HG3 LYS 73 - HA GLN 72 far 0 58 0 - 5.4-6.5 HG LEU 103 - HA GLN 72 far 0 51 0 - 8.5-22.0 HB2 ARG 79 - HA GLN 72 far 0 58 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 3233 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 3.73 A): 4 out of 20 assignments used, quality = 1.00: HD3 LYS 73 + HA LYS 73 OK 100 100 100 100 4.1-4.9 3.0/3231=41, 5.1=39...(79) * HD2 LYS 73 + HA LYS 73 OK 100 100 100 100 4.1-4.9 3.0/3231=41, 5.1=39...(75) HD2 LYS 47 + HA LYS 47 OK 53 53 100 100 3.9-4.9 5.1=39, 3.0/2169=27...(102) HD3 LYS 47 + HA LYS 47 OK 52 52 100 100 4.4-5.0 5.1=39, 3.0/2169=27...(102) HB ILE 76 - HA GLN 72 far 0 45 0 - 5.6-6.7 HD2 LYS 68 - HA GLN 72 far 0 52 0 - 5.8-9.0 HD3 LYS 68 - HA GLN 72 far 0 51 0 - 6.8-9.5 HG2 LYS 68 - HA GLN 72 far 0 43 0 - 7.0-9.8 HB ILE 52 - HA LYS 47 far 0 57 0 - 7.2-10.4 HD3 LYS 73 - HA GLN 72 far 0 58 0 - 7.6-8.1 HD2 LYS 73 - HA GLN 72 far 0 58 0 - 7.6-7.9 HD3 LYS 39 - HA LYS 73 far 0 84 0 - 8.3-10.9 HD2 LYS 39 - HA LYS 73 far 0 98 0 - 8.3-11.1 HG LEU 70 - HA GLN 72 far 0 36 0 - 8.4-9.1 HB ILE 76 - HA LYS 73 far 0 88 0 - 8.4-9.0 HG LEU 70 - HA LYS 73 far 0 75 0 - 8.5-9.1 HG2 LYS 68 - HA LYS 73 far 0 85 0 - 9.2-12.9 HD2 LYS 68 - HA LYS 73 far 0 96 0 - 9.3-11.9 HB ILE 76 - HA LYS 47 far 0 45 0 - 9.4-11.1 HB3 ARG 79 - HA GLN 72 far 0 53 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3234 from cnoeabs.peaks (1.67, 4.17, 57.87 ppm; 3.61 A): 4 out of 20 assignments used, quality = 1.00: * HD3 LYS 73 + HA LYS 73 OK 100 100 100 100 4.1-4.9 3.0/3231=39, 3.0/3272=35...(79) HD2 LYS 73 + HA LYS 73 OK 100 100 100 100 4.1-4.9 3.0/3231=39, 3.0/3272=35...(75) HD2 LYS 47 + HA LYS 47 OK 52 52 100 100 3.9-4.9 5.1=35, 3.0/2169=26...(102) HD3 LYS 47 + HA LYS 47 OK 51 51 100 100 4.4-5.0 5.1=35, 3.0/2169=26...(102) HB ILE 76 - HA GLN 72 far 0 47 0 - 5.6-6.7 HD2 LYS 68 - HA GLN 72 far 0 53 0 - 5.8-9.0 HD3 LYS 68 - HA GLN 72 far 0 53 0 - 6.8-9.5 HG2 LYS 68 - HA GLN 72 far 0 45 0 - 7.0-9.8 HB ILE 52 - HA LYS 47 far 0 57 0 - 7.2-10.4 HD3 LYS 73 - HA GLN 72 far 0 58 0 - 7.6-8.1 HD2 LYS 73 - HA GLN 72 far 0 58 0 - 7.6-7.9 HD3 LYS 39 - HA LYS 73 far 0 87 0 - 8.3-10.9 HD2 LYS 39 - HA LYS 73 far 0 99 0 - 8.3-11.1 HG LEU 70 - HA GLN 72 far 0 34 0 - 8.4-9.1 HB ILE 76 - HA LYS 73 far 0 91 0 - 8.4-9.0 HG LEU 70 - HA LYS 73 far 0 71 0 - 8.5-9.1 HG2 LYS 68 - HA LYS 73 far 0 88 0 - 9.2-12.9 HD2 LYS 68 - HA LYS 73 far 0 98 0 - 9.3-11.9 HB ILE 76 - HA LYS 47 far 0 47 0 - 9.4-11.1 HB3 ARG 79 - HA GLN 72 far 0 55 0 - 9.7-11.6 Violated in 4 structures by 0.00 A. Peak 3235 from cnoeabs.peaks (2.95, 4.17, 57.87 ppm; 5.24 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 73 + HA LYS 73 OK 100 100 100 100 4.4-5.5 4.0/3232=55, 4.0/3231=53...(67) HE3 LYS 73 + HA LYS 73 OK 100 100 100 100 4.4-5.4 4.0/3232=55, 4.0/3231=53...(66) HE3 LYS 47 + HA LYS 47 OK 45 45 100 100 4.2-5.5 6.3=58, 3.8/2169=39...(83) HE2 LYS 47 + HA LYS 47 OK 45 45 100 100 4.2-5.2 6.3=58, 3.8/2169=39...(83) HB2 PHE 45 - HA LYS 47 far 0 35 0 - 7.4-8.3 HB3 PHE 45 - HA LYS 47 far 0 51 0 - 7.4-8.2 HE3 LYS 73 - HA GLN 72 far 0 57 0 - 7.4-8.6 HE2 LYS 73 - HA GLN 72 far 0 58 0 - 7.6-9.2 HB2 PHE 45 - HA GLN 72 far 0 35 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 3236 from cnoeabs.peaks (2.95, 4.17, 57.87 ppm; 5.24 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 73 + HA LYS 73 OK 100 100 100 100 4.4-5.4 4.0/3232=55, 4.0/3231=53...(66) HE2 LYS 73 + HA LYS 73 OK 100 100 100 100 4.4-5.5 4.0/3232=55, 4.0/3231=53...(67) HE3 LYS 47 + HA LYS 47 OK 40 40 100 100 4.2-5.5 6.3=58, 3.8/2169=39...(83) HE2 LYS 47 + HA LYS 47 OK 40 40 100 100 4.2-5.2 6.3=58, 3.8/2169=39...(83) HE3 LYS 68 - HA GLN 72 far 0 29 0 - 7.1-10.3 HB2 PHE 45 - HA LYS 47 far 0 30 0 - 7.4-8.3 HB3 PHE 45 - HA LYS 47 far 0 47 0 - 7.4-8.2 HE2 LYS 68 - HA GLN 72 far 0 31 0 - 7.4-10.4 HE3 LYS 73 - HA GLN 72 far 0 58 0 - 7.4-8.6 HE2 LYS 73 - HA GLN 72 far 0 57 0 - 7.6-9.2 HB2 PHE 45 - HA GLN 72 far 0 30 0 - 9.7-14.0 Violated in 0 structures by 0.00 A. Peak 3237 from cnoeabs.peaks (7.75, 4.17, 57.87 ppm; 3.86 A): 2 out of 5 assignments used, quality = 1.00: * H MET 74 + HA LYS 73 OK 100 100 100 100 3.4-3.5 3.6=100 H MET 74 + HA GLN 72 OK 56 58 100 97 3.8-4.5 7213/3.6=61, 7216=48...(14) H SER 49 - HA LYS 47 poor 19 47 60 66 4.0-5.6 6795/3.6=52, 9076/2.9=18...(5) H VAL 78 - HA GLN 72 far 3 56 5 - 5.3-6.8 H VAL 78 - HA LYS 73 far 0 99 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 3238 from cnoeabs.peaks (7.84, 1.96, 32.28 ppm; 3.13 A): 2 out of 7 assignments used, quality = 1.00: * H LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.3-2.8 7206=50, 7208/2.9=44...(30) H LYS 73 + HB3 LYS 73 OK 99 100 100 99 3.6-3.6 7205=50, 7208/2.9=44...(28) H ASN 26 - HB3 LYS 24 far 0 91 0 - 4.7-5.4 H ASN 26 - HB2 LYS 24 far 0 91 0 - 5.3-6.5 H LEU 3 - HB2 MET 1 far 0 57 0 - 6.3-7.5 H ASN 26 - HB3 LYS 20 far 0 75 0 - 8.6-9.2 H TYR 41 - HB2 LYS 47 far 0 83 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 3239 from cnoeabs.peaks (4.17, 1.96, 32.28 ppm; 3.07 A): 4 out of 10 assignments used, quality = 1.00: HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.6 3.0=100 * HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 47 + HB2 LYS 47 OK 69 69 100 100 2.4-3.0 3.0=100 HA MET 1 + HB2 MET 1 OK 53 53 100 100 2.2-3.0 3.0=100 HA GLU 23 - HB3 LYS 24 far 0 72 0 - 5.5-5.9 HA GLN 72 - HB2 LYS 73 far 0 95 0 - 5.6-6.0 HA GLU 23 - HB2 LYS 24 far 0 72 0 - 5.7-6.2 HA GLN 72 - HB3 LYS 73 far 0 95 0 - 6.6-6.6 HA GLU 98 - HB2 MET 1 far 0 51 0 - 6.8-11.4 HA GLU 23 - HB3 LYS 20 far 0 57 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 3240 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 7 out of 7 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 HB3 LYS 24 + HB3 LYS 24 OK 90 90 - 100 HB2 LYS 24 + HB2 LYS 24 OK 90 90 - 100 HB2 LYS 47 + HB2 LYS 47 OK 89 89 - 100 HB3 LYS 20 + HB3 LYS 20 OK 60 60 - 100 HB2 MET 1 + HB2 MET 1 OK 51 51 - 100 Peak 3241 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 7 out of 7 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 HB3 LYS 24 + HB3 LYS 24 OK 90 90 - 100 HB2 LYS 24 + HB2 LYS 24 OK 90 90 - 100 HB2 LYS 47 + HB2 LYS 47 OK 88 88 - 100 HB3 LYS 20 + HB3 LYS 20 OK 61 61 - 100 HB2 MET 1 + HB2 MET 1 OK 52 52 - 100 Reference assignment not found: HB3 LYS 73 - HB2 LYS 73 Peak 3242 from cnoeabs.peaks (1.49, 1.96, 32.28 ppm; 3.00 A): 6 out of 24 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 92 92 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 83 83 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.4-3.0 2.9=100 HG2 LYS 20 + HB3 LYS 20 OK 43 43 100 100 2.8-3.0 3.0=100 HG2 LYS 53 - HB2 MET 1 far 0 39 0 - 5.1-6.6 HG3 LYS 53 - HB2 MET 1 far 0 44 0 - 5.1-7.9 HG3 LYS 24 - HB3 LYS 20 far 0 67 0 - 5.5-7.6 HG LEU 2 - HB2 MET 1 far 0 45 0 - 6.0-7.9 HG2 LYS 20 - HB3 LYS 24 far 0 56 0 - 6.0-8.3 HG2 LYS 20 - HB2 LYS 24 far 0 56 0 - 6.1-8.0 HB2 LEU 27 - HB3 LYS 24 far 0 56 0 - 6.9-8.1 HD2 LYS 53 - HB2 MET 1 far 0 34 0 - 7.0-8.7 HG13 ILE 52 - HB2 LYS 47 far 0 57 0 - 7.2-11.5 HG13 ILE 52 - HB2 MET 1 far 0 32 0 - 7.6-9.5 HB2 LEU 27 - HB2 LYS 24 far 0 56 0 - 7.9-9.4 HB2 LEU 38 - HB2 LYS 73 far 0 63 0 - 8.6-10.2 HG LEU 38 - HB2 LYS 73 far 0 71 0 - 9.0-11.1 HG3 LYS 66 - HB2 LYS 73 far 0 100 0 - 9.1-13.1 HG LEU 2 - HB2 LYS 47 far 0 77 0 - 9.3-11.9 HB2 LEU 27 - HB3 LYS 20 far 0 43 0 - 9.4-10.4 HD2 LYS 40 - HB2 LYS 47 far 0 69 0 - 9.8-13.9 HD3 LYS 40 - HB2 LYS 47 far 0 71 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 3243 from cnoeabs.peaks (1.60, 1.96, 32.28 ppm; 2.94 A): 5 out of 26 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 87 87 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 87 87 100 100 2.5-3.0 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 75 75 100 100 2.3-3.0 3.0=97, 6773/2134=25...(73) HG2 ARG 19 - HB3 LYS 20 far 0 70 0 - 4.7-8.3 HG2 LYS 24 - HB3 LYS 20 far 0 71 0 - 5.5-7.8 HG3 LYS 90 - HB3 LYS 20 far 0 69 0 - 5.6-9.7 HD3 LYS 94 - HB3 LYS 24 far 0 91 0 - 5.7-9.0 HD2 LYS 94 - HB3 LYS 24 far 0 71 0 - 6.2-8.2 HG LEU 27 - HB3 LYS 24 far 0 91 0 - 6.5-7.5 HD3 LYS 94 - HB2 LYS 24 far 0 91 0 - 7.3-10.7 HD2 LYS 94 - HB2 LYS 24 far 0 71 0 - 7.4-9.9 HG3 LYS 90 - HB3 LYS 24 far 0 85 0 - 7.4-10.5 HG LEU 27 - HB2 LYS 24 far 0 91 0 - 7.6-8.7 HG2 ARG 19 - HB3 LYS 24 far 0 86 0 - 7.9-10.3 HB3 LEU 29 - HB3 LYS 20 far 0 75 0 - 7.9-9.5 HB3 LEU 29 - HB3 LYS 24 far 0 91 0 - 8.3-9.4 HG3 LYS 90 - HB2 LYS 24 far 0 85 0 - 8.4-11.6 HD2 LYS 94 - HB3 LYS 20 far 0 56 0 - 8.6-10.6 HG2 ARG 19 - HB2 LYS 24 far 0 86 0 - 8.8-10.8 HD3 LYS 94 - HB3 LYS 20 far 0 75 0 - 8.9-10.8 HB3 LEU 29 - HB2 LYS 24 far 0 91 0 - 9.3-10.4 HG LEU 27 - HB2 MET 1 far 0 58 0 - 9.3-12.6 HB2 LEU 103 - HB2 MET 1 far 0 53 0 - 9.4-17.5 HG LEU 27 - HB3 LYS 20 far 0 75 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 3244 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.76 A): 13 out of 41 assignments used, quality = 1.00: HD3 LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=45, 3298/2.9=18...(134) HD3 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=45, 3298/2.9=18...(133) * HD2 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.9-3.3 3.6=45, 3298/2.9=18...(126) HD2 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.4-3.4 3.6=45, 3298/2.9=18...(125) HD2 LYS 47 + HB2 LYS 47 OK 86 87 100 98 2.6-3.9 3.9=34, 6774/4.0=10...(127) HD3 LYS 47 + HB2 LYS 47 OK 85 87 100 98 2.2-3.7 3.9=34, 6774/4.0=10...(126) HG3 LYS 20 + HB3 LYS 20 OK 70 73 100 96 2.2-2.4 3.0=81, 893/4.0=21...(46) HD3 LYS 20 + HB3 LYS 20 OK 69 73 100 95 2.7-4.1 3.5=48, 6312/4.0=8...(79) HD2 LYS 20 + HB3 LYS 20 OK 68 72 100 94 3.3-4.1 3.5=48, 6312/4.0=8...(79) HD2 LYS 24 + HB3 LYS 24 OK 66 68 100 98 2.2-4.2 3.6=46, ~1096=10...(120) HD2 LYS 24 + HB2 LYS 24 OK 66 68 100 98 2.0-3.7 3.6=46, ~1096=10...(120) HD3 LYS 24 + HB3 LYS 24 OK 64 66 100 98 2.2-3.6 3.6=46, ~1096=10...(121) HD3 LYS 24 + HB2 LYS 24 OK 64 66 100 98 2.1-4.2 3.6=46, ~1096=10...(121) HD3 LYS 24 - HB3 LYS 20 far 0 52 0 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 53 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 5.1-7.9 HD3 LYS 39 - HB2 LYS 73 far 0 84 0 - 5.4-7.9 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 5.4-8.3 HB3 LYS 53 - HB2 MET 1 far 0 50 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 33 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 75 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 84 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 52 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 57 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 88 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 88 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 75 0 - 7.5-8.3 HB ILE 76 - HB2 LYS 73 far 0 88 0 - 7.9-8.5 HB ILE 52 - HB2 LYS 47 far 0 92 0 - 7.9-10.9 HG2 LYS 68 - HB2 LYS 73 far 0 85 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 66 0 - 8.7-11.5 HD2 LYS 68 - HB2 LYS 73 far 0 96 0 - 8.9-11.8 HB ILE 76 - HB3 LYS 73 far 0 88 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 70 0 - 9.4-11.5 HB ILE 76 - HB2 LYS 47 far 0 77 0 - 9.6-12.3 HD3 LYS 90 - HB2 LYS 24 far 0 66 0 - 9.7-12.7 HG2 LYS 68 - HB3 LYS 73 far 0 85 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3245 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.85 A): 13 out of 41 assignments used, quality = 1.00: * HD3 LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=50, 3298/2.9=19...(142) HD3 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=50, 3298/2.9=19...(138) HD2 LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.9-3.3 3.6=50, 3298/2.9=19...(132) HD2 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.4-3.4 3.6=50, 3298/2.9=19...(129) HD2 LYS 47 + HB2 LYS 47 OK 84 86 100 99 2.6-3.9 3.9=37, 6774/4.0=11...(130) HD3 LYS 47 + HB2 LYS 47 OK 84 85 100 99 2.2-3.7 3.9=37, 6774/4.0=11...(130) HG3 LYS 20 + HB3 LYS 20 OK 71 72 100 98 2.2-2.4 3.0=90, 893/4.0=22...(49) HD3 LYS 20 + HB3 LYS 20 OK 70 72 100 96 2.7-4.1 3.5=52, 6312/4.0=9...(81) HD2 LYS 20 + HB3 LYS 20 OK 68 71 100 96 3.3-4.1 3.5=52, 6312/4.0=9...(81) HD2 LYS 24 + HB3 LYS 24 OK 63 64 100 98 2.2-4.2 3.6=51, ~1096=11...(121) HD2 LYS 24 + HB2 LYS 24 OK 63 64 100 98 2.0-3.7 3.6=51, ~1096=11...(121) HD3 LYS 24 + HB3 LYS 24 OK 62 63 100 98 2.2-3.6 3.6=51, ~1096=11...(121) HD3 LYS 24 + HB2 LYS 24 OK 62 63 100 98 2.1-4.2 3.6=51, ~1096=11...(121) HD3 LYS 24 - HB3 LYS 20 far 0 49 0 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 50 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 5.1-7.9 HD3 LYS 39 - HB2 LYS 73 far 0 87 0 - 5.4-7.9 HD2 LYS 39 - HB2 LYS 73 far 0 99 0 - 5.4-8.3 HB3 LYS 53 - HB2 MET 1 far 0 48 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 31 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 71 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 87 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 49 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 57 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 87 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 87 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 71 0 - 7.5-8.3 HB ILE 76 - HB2 LYS 73 far 0 91 0 - 7.9-8.5 HB ILE 52 - HB2 LYS 47 far 0 91 0 - 7.9-10.9 HG2 LYS 68 - HB2 LYS 73 far 0 88 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 63 0 - 8.7-11.5 HD2 LYS 68 - HB2 LYS 73 far 0 98 0 - 8.9-11.8 HB ILE 76 - HB3 LYS 73 far 0 91 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 65 0 - 9.4-11.5 HB ILE 76 - HB2 LYS 47 far 0 79 0 - 9.6-12.3 HD3 LYS 90 - HB2 LYS 24 far 0 63 0 - 9.7-12.7 HG2 LYS 68 - HB3 LYS 73 far 0 88 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3246 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 13 out of 29 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-4.9 4.9=52, 7211/4.1=14...(132) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.6-4.1 4.9=52, 7211/4.1=14...(132) HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-4.7 4.9=52, 7211/4.1=14...(129) HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.5 4.9=52, 7211/4.1=14...(129) HE2 LYS 24 + HB3 LYS 24 OK 87 87 100 100 2.6-5.2 4.9=50, 12306/3.0=19...(119) HE3 LYS 24 + HB3 LYS 24 OK 87 87 100 100 2.7-5.2 4.9=50, ~12306=18...(118) HE2 LYS 24 + HB2 LYS 24 OK 87 87 100 100 2.5-5.1 4.9=50, 12306/3.0=19...(119) HE3 LYS 24 + HB2 LYS 24 OK 87 87 100 100 3.0-4.7 4.9=50, ~12306=18...(118) HE2 LYS 47 + HB2 LYS 47 OK 77 77 100 100 2.2-4.6 4.9=52, 6.6/2134=17...(131) HE3 LYS 47 + HB2 LYS 47 OK 76 77 100 100 2.0-4.3 4.9=52, 6.6/2134=17...(131) HB2 ASN 51 + HB2 MET 1 OK 56 57 100 98 3.0-5.3 9131/3.0=48, 8030/4.2=41...(16) HE3 LYS 20 + HB3 LYS 20 OK 39 39 100 100 2.2-4.9 4.7=57, 1.8/929=13...(99) HE2 LYS 20 + HB3 LYS 20 OK 37 37 100 100 2.4-3.7 4.7=57, 1.8/929=13...(99) HE2 LYS 94 - HB3 LYS 24 far 6 63 10 - 4.3-10.2 HG2 MET 21 - HB3 LYS 24 far 4 87 5 - 5.1-6.9 HE2 LYS 20 - HB2 LYS 24 far 2 48 5 - 5.2-8.2 HE2 LYS 24 - HB3 LYS 20 far 0 71 0 - 5.5-9.2 HE3 LYS 20 - HB2 LYS 24 far 0 50 0 - 5.5-9.3 HE2 LYS 94 - HB2 LYS 24 far 0 63 0 - 5.6-11.8 HE3 LYS 20 - HB3 LYS 24 far 0 50 0 - 5.7-9.2 HG2 MET 21 - HB3 LYS 20 far 0 71 0 - 5.8-7.4 HE2 LYS 20 - HB3 LYS 24 far 0 48 0 - 6.1-8.2 HE3 LYS 24 - HB3 LYS 20 far 0 71 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 62 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 85 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 87 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 68 0 - 7.0-10.5 HE2 LYS 94 - HB3 LYS 20 far 0 49 0 - 8.1-12.6 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 3247 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 13 out of 32 assignments used, quality = 1.00: * HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-4.7 4.9=52, 7212/4.1=14...(129) HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.5 4.9=52, 7212/4.1=14...(129) HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-4.9 4.9=52, 7212/4.1=14...(132) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.6-4.1 4.9=52, 7212/4.1=14...(132) HE2 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.6-5.2 4.9=50, 12306/3.0=15...(119) HE3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.7-5.2 4.9=50, ~12306=18...(118) HE2 LYS 24 + HB2 LYS 24 OK 83 83 100 100 2.5-5.1 4.9=50, 12306/3.0=15...(119) HE3 LYS 24 + HB2 LYS 24 OK 83 83 100 100 3.0-4.7 4.9=50, ~12306=18...(118) HE2 LYS 47 + HB2 LYS 47 OK 69 69 100 100 2.2-4.6 4.9=52, 6.6/2134=17...(131) HE3 LYS 47 + HB2 LYS 47 OK 69 69 100 100 2.0-4.3 4.9=52, 6.6/2134=17...(131) HB2 ASN 51 + HB2 MET 1 OK 56 58 100 98 3.0-5.3 9131/3.0=48, 8030/4.2=41...(16) HE3 LYS 20 + HB3 LYS 20 OK 46 46 100 100 2.2-4.9 4.7=57, 6314/4.0=13...(99) HE2 LYS 20 + HB3 LYS 20 OK 44 45 100 100 2.4-3.7 4.7=57, 6314/4.0=13...(99) HE2 LYS 94 - HB3 LYS 24 far 7 71 10 - 4.3-10.2 HG2 MET 21 - HB3 LYS 24 far 4 90 5 - 5.1-6.9 HE2 LYS 20 - HB2 LYS 24 far 3 57 5 - 5.2-8.2 HE2 LYS 24 - HB3 LYS 20 far 0 67 0 - 5.5-9.2 HE3 LYS 20 - HB2 LYS 24 far 0 59 0 - 5.5-9.3 HE2 LYS 94 - HB2 LYS 24 far 0 71 0 - 5.6-11.8 HE3 LYS 20 - HB3 LYS 24 far 0 59 0 - 5.7-9.2 HG2 MET 21 - HB3 LYS 20 far 0 74 0 - 5.8-7.4 HE3 LYS 94 - HB3 LYS 24 far 0 56 0 - 5.9-11.0 HE2 LYS 20 - HB3 LYS 24 far 0 57 0 - 6.1-8.2 HE3 LYS 24 - HB3 LYS 20 far 0 67 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 53 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 79 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 90 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 72 0 - 7.0-10.5 HE3 LYS 94 - HB2 LYS 24 far 0 56 0 - 7.1-12.6 HE3 LYS 94 - HB3 LYS 20 far 0 43 0 - 8.0-12.5 HE2 LYS 94 - HB3 LYS 20 far 0 56 0 - 8.1-12.6 HE3 LYS 90 - HB3 LYS 24 far 0 88 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 3248 from cnoeabs.peaks (7.75, 1.96, 32.28 ppm; 3.41 A): 4 out of 6 assignments used, quality = 1.00: * H MET 74 + HB2 LYS 73 OK 98 100 100 98 2.6-3.1 7213/4.1=41, 4.6=40...(21) H MET 74 + HB3 LYS 73 OK 97 100 100 97 3.5-4.2 7213/4.1=41, 4.6=40...(18) H ALA 25 + HB2 LYS 24 OK 52 54 100 96 3.9-4.3 4.4=48, 6397/4.0=23...(22) H ALA 25 + HB3 LYS 24 OK 51 54 100 95 2.7-3.3 4.4=48, 6397/4.0=23...(21) H SER 49 - HB2 LYS 47 far 0 79 0 - 4.9-6.5 H ALA 25 - HB3 LYS 20 far 0 42 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 3249 from cnoeabs.peaks (7.84, 1.96, 32.28 ppm; 3.13 A): 2 out of 7 assignments used, quality = 1.00: H LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.3-2.8 7206=50, 7208/2.9=44...(30) * H LYS 73 + HB3 LYS 73 OK 99 100 100 99 3.6-3.6 7205=50, 7208/2.9=44...(28) H ASN 26 - HB3 LYS 24 far 0 90 0 - 4.7-5.4 H ASN 26 - HB2 LYS 24 far 0 90 0 - 5.3-6.5 H LEU 3 - HB2 MET 1 far 0 59 0 - 6.3-7.5 H ASN 26 - HB3 LYS 20 far 0 77 0 - 8.6-9.2 H TYR 41 - HB2 LYS 47 far 0 82 0 - 10.0-13.5 Violated in 0 structures by 0.00 A. Peak 3250 from cnoeabs.peaks (4.17, 1.96, 32.28 ppm; 3.07 A): 4 out of 10 assignments used, quality = 1.00: * HA LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.3-2.6 3.0=100 HA LYS 73 + HB2 LYS 73 OK 100 100 100 100 3.0-3.0 3.0=100 HA LYS 47 + HB2 LYS 47 OK 68 68 100 100 2.4-3.0 3.0=100 HA MET 1 + HB2 MET 1 OK 54 54 100 100 2.2-3.0 3.0=100 HA GLU 23 - HB3 LYS 24 far 0 72 0 - 5.5-5.9 HA GLN 72 - HB2 LYS 73 far 0 95 0 - 5.6-6.0 HA GLU 23 - HB2 LYS 24 far 0 72 0 - 5.7-6.2 HA GLN 72 - HB3 LYS 73 far 0 95 0 - 6.6-6.6 HA GLU 98 - HB2 MET 1 far 0 53 0 - 6.8-11.4 HA GLU 23 - HB3 LYS 20 far 0 59 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 3251 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 7 out of 7 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 HB3 LYS 24 + HB3 LYS 24 OK 90 90 - 100 HB2 LYS 24 + HB2 LYS 24 OK 90 90 - 100 HB2 LYS 47 + HB2 LYS 47 OK 88 88 - 100 HB3 LYS 20 + HB3 LYS 20 OK 62 62 - 100 HB2 MET 1 + HB2 MET 1 OK 53 53 - 100 Reference assignment not found: HB2 LYS 73 - HB3 LYS 73 Peak 3252 from cnoeabs.peaks (1.96, 1.96, 32.28 ppm; diagonal): 7 out of 7 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 HB3 LYS 24 + HB3 LYS 24 OK 89 89 - 100 HB2 LYS 24 + HB2 LYS 24 OK 89 89 - 100 HB2 LYS 47 + HB2 LYS 47 OK 87 87 - 100 HB3 LYS 20 + HB3 LYS 20 OK 63 63 - 100 HB2 MET 1 + HB2 MET 1 OK 53 53 - 100 Peak 3253 from cnoeabs.peaks (1.49, 1.96, 32.28 ppm; 3.00 A): 6 out of 24 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HG2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 47 + HB2 LYS 47 OK 91 91 100 100 2.3-3.0 3.0=100 HG3 LYS 24 + HB2 LYS 24 OK 83 83 100 100 2.2-3.0 2.9=100 HG3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.4-3.0 2.9=100 HG2 LYS 20 + HB3 LYS 20 OK 45 45 100 100 2.8-3.0 3.0=100 HG2 LYS 53 - HB2 MET 1 far 0 40 0 - 5.1-6.6 HG3 LYS 53 - HB2 MET 1 far 0 45 0 - 5.1-7.9 HG3 LYS 24 - HB3 LYS 20 far 0 70 0 - 5.5-7.6 HG LEU 2 - HB2 MET 1 far 0 46 0 - 6.0-7.9 HG2 LYS 20 - HB3 LYS 24 far 0 55 0 - 6.0-8.3 HG2 LYS 20 - HB2 LYS 24 far 0 55 0 - 6.1-8.0 HB2 LEU 27 - HB3 LYS 24 far 0 55 0 - 6.9-8.1 HD2 LYS 53 - HB2 MET 1 far 0 35 0 - 7.0-8.7 HG13 ILE 52 - HB2 LYS 47 far 0 56 0 - 7.2-11.5 HG13 ILE 52 - HB2 MET 1 far 0 33 0 - 7.6-9.5 HB2 LEU 27 - HB2 LYS 24 far 0 55 0 - 7.9-9.4 HB2 LEU 38 - HB2 LYS 73 far 0 63 0 - 8.6-10.2 HG LEU 38 - HB2 LYS 73 far 0 71 0 - 9.0-11.1 HG3 LYS 66 - HB2 LYS 73 far 0 100 0 - 9.1-13.1 HG LEU 2 - HB2 LYS 47 far 0 75 0 - 9.3-11.9 HB2 LEU 27 - HB3 LYS 20 far 0 45 0 - 9.4-10.4 HD2 LYS 40 - HB2 LYS 47 far 0 68 0 - 9.8-13.9 HD3 LYS 40 - HB2 LYS 47 far 0 69 0 - 9.9-15.1 Violated in 0 structures by 0.00 A. Peak 3254 from cnoeabs.peaks (1.60, 1.96, 32.28 ppm; 2.94 A): 5 out of 26 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 24 + HB3 LYS 24 OK 86 86 100 100 2.2-3.0 2.9=100 HG2 LYS 24 + HB2 LYS 24 OK 86 86 100 100 2.5-3.0 2.9=100 HG3 LYS 47 + HB2 LYS 47 OK 74 74 100 100 2.3-3.0 3.0=97, 6773/4.0=24...(73) HG2 ARG 19 - HB3 LYS 20 far 0 72 0 - 4.7-8.3 HG2 LYS 24 - HB3 LYS 20 far 0 73 0 - 5.5-7.8 HG3 LYS 90 - HB3 LYS 20 far 0 71 0 - 5.6-9.7 HD3 LYS 94 - HB3 LYS 24 far 0 90 0 - 5.7-9.0 HD2 LYS 94 - HB3 LYS 24 far 0 70 0 - 6.2-8.2 HG LEU 27 - HB3 LYS 24 far 0 90 0 - 6.5-7.5 HD3 LYS 94 - HB2 LYS 24 far 0 90 0 - 7.3-10.7 HD2 LYS 94 - HB2 LYS 24 far 0 70 0 - 7.4-9.9 HG3 LYS 90 - HB3 LYS 24 far 0 85 0 - 7.4-10.5 HG LEU 27 - HB2 LYS 24 far 0 90 0 - 7.6-8.7 HG2 ARG 19 - HB3 LYS 24 far 0 85 0 - 7.9-10.3 HB3 LEU 29 - HB3 LYS 20 far 0 77 0 - 7.9-9.5 HB3 LEU 29 - HB3 LYS 24 far 0 90 0 - 8.3-9.4 HG3 LYS 90 - HB2 LYS 24 far 0 85 0 - 8.4-11.6 HD2 LYS 94 - HB3 LYS 20 far 0 58 0 - 8.6-10.6 HG2 ARG 19 - HB2 LYS 24 far 0 85 0 - 8.8-10.8 HD3 LYS 94 - HB3 LYS 20 far 0 77 0 - 8.9-10.8 HB3 LEU 29 - HB2 LYS 24 far 0 90 0 - 9.3-10.4 HG LEU 27 - HB2 MET 1 far 0 59 0 - 9.3-12.6 HB2 LEU 103 - HB2 MET 1 far 0 55 0 - 9.4-17.5 HG LEU 27 - HB3 LYS 20 far 0 77 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 3255 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.76 A): 13 out of 41 assignments used, quality = 1.00: HD3 LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=45, 3298/2.9=18...(134) HD3 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=45, 3298/2.9=18...(133) HD2 LYS 73 + HB2 LYS 73 OK 98 100 100 98 2.9-3.3 3.6=45, 3298/2.9=18...(126) * HD2 LYS 73 + HB3 LYS 73 OK 98 100 100 98 2.4-3.4 3.6=45, 3298/2.9=18...(125) HD2 LYS 47 + HB2 LYS 47 OK 84 86 100 98 2.6-3.9 3.9=34, 6774/4.0=10...(127) HD3 LYS 47 + HB2 LYS 47 OK 84 85 100 98 2.2-3.7 3.9=34, 6774/4.0=10...(126) HG3 LYS 20 + HB3 LYS 20 OK 73 76 100 96 2.2-2.4 3.0=81, 893/4.0=21...(46) HD3 LYS 20 + HB3 LYS 20 OK 72 76 100 95 2.7-4.1 3.5=48, 6312/4.0=8...(79) HD2 LYS 20 + HB3 LYS 20 OK 70 74 100 94 3.3-4.1 3.5=48, 6312/4.0=8...(79) HD2 LYS 24 + HB3 LYS 24 OK 65 67 100 98 2.2-4.2 3.6=46, ~1096=10...(120) HD2 LYS 24 + HB2 LYS 24 OK 65 67 100 98 2.0-3.7 3.6=46, ~1096=10...(120) HD3 LYS 24 + HB3 LYS 24 OK 64 65 100 98 2.2-3.6 3.6=46, ~1096=10...(121) HD3 LYS 24 + HB2 LYS 24 OK 64 65 100 98 2.1-4.2 3.6=46, ~1096=10...(121) HD3 LYS 24 - HB3 LYS 20 far 0 54 0 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 89 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 55 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 89 0 - 5.1-7.9 HD3 LYS 39 - HB2 LYS 73 far 0 84 0 - 5.4-7.9 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 5.4-8.3 HB3 LYS 53 - HB2 MET 1 far 0 51 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 34 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 75 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 84 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 98 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 89 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 89 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 54 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 59 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 87 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 87 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 75 0 - 7.5-8.3 HB ILE 76 - HB2 LYS 73 far 0 88 0 - 7.9-8.5 HB ILE 52 - HB2 LYS 47 far 0 91 0 - 7.9-10.9 HG2 LYS 68 - HB2 LYS 73 far 0 85 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 65 0 - 8.7-11.5 HD2 LYS 68 - HB2 LYS 73 far 0 96 0 - 8.9-11.8 HB ILE 76 - HB3 LYS 73 far 0 88 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 69 0 - 9.4-11.5 HB ILE 76 - HB2 LYS 47 far 0 75 0 - 9.6-12.3 HD3 LYS 90 - HB2 LYS 24 far 0 65 0 - 9.7-12.7 HG2 LYS 68 - HB3 LYS 73 far 0 85 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3256 from cnoeabs.peaks (1.67, 1.96, 32.28 ppm; 2.85 A): 13 out of 41 assignments used, quality = 1.00: HD3 LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=50, 3298/2.9=19...(142) * HD3 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=50, 3298/2.9=19...(138) HD2 LYS 73 + HB2 LYS 73 OK 99 100 100 99 2.9-3.3 3.6=50, 3298/2.9=19...(132) HD2 LYS 73 + HB3 LYS 73 OK 99 100 100 99 2.4-3.4 3.6=50, 3298/2.9=19...(129) HD2 LYS 47 + HB2 LYS 47 OK 83 84 100 99 2.6-3.9 3.9=37, 6774/4.0=11...(130) HD3 LYS 47 + HB2 LYS 47 OK 82 84 100 99 2.2-3.7 3.9=37, 6774/4.0=11...(130) HG3 LYS 20 + HB3 LYS 20 OK 73 75 100 98 2.2-2.4 3.0=90, 893/4.0=22...(49) HD3 LYS 20 + HB3 LYS 20 OK 72 75 100 96 2.7-4.1 3.5=52, 6312/4.0=9...(81) HD2 LYS 20 + HB3 LYS 20 OK 70 73 100 96 3.3-4.1 3.5=52, 6310/4.0=9...(81) HD2 LYS 24 + HB3 LYS 24 OK 63 64 100 98 2.2-4.2 3.6=51, ~1096=11...(121) HD2 LYS 24 + HB2 LYS 24 OK 63 64 100 98 2.0-3.7 3.6=51, ~1096=11...(121) HD3 LYS 24 + HB3 LYS 24 OK 61 62 100 98 2.2-3.6 3.6=51, ~1096=11...(121) HD3 LYS 24 + HB2 LYS 24 OK 61 62 100 98 2.1-4.2 3.6=51, ~1096=11...(121) HD3 LYS 24 - HB3 LYS 20 far 0 51 0 - 4.4-8.9 HG3 LYS 20 - HB2 LYS 24 far 0 88 0 - 4.9-7.5 HD2 LYS 24 - HB3 LYS 20 far 0 52 0 - 5.0-8.4 HG3 LYS 20 - HB3 LYS 24 far 0 88 0 - 5.1-7.9 HD3 LYS 39 - HB2 LYS 73 far 0 87 0 - 5.4-7.9 HD2 LYS 39 - HB2 LYS 73 far 0 98 0 - 5.4-8.3 HB3 LYS 53 - HB2 MET 1 far 0 49 0 - 5.6-8.6 HB2 LEU 2 - HB2 MET 1 far 0 32 0 - 5.9-7.0 HG LEU 70 - HB2 LYS 73 far 0 71 0 - 6.0-6.8 HD3 LYS 39 - HB3 LYS 73 far 0 87 0 - 6.3-8.9 HD2 LYS 39 - HB3 LYS 73 far 0 99 0 - 6.4-9.2 HD3 LYS 20 - HB2 LYS 24 far 0 88 0 - 6.6-9.0 HD3 LYS 20 - HB3 LYS 24 far 0 88 0 - 6.7-9.0 HD3 LYS 90 - HB3 LYS 20 far 0 51 0 - 6.7-10.6 HB ILE 52 - HB2 MET 1 far 0 58 0 - 7.0-8.7 HD2 LYS 20 - HB2 LYS 24 far 0 86 0 - 7.1-9.1 HD2 LYS 20 - HB3 LYS 24 far 0 86 0 - 7.3-9.5 HG LEU 70 - HB3 LYS 73 far 0 71 0 - 7.5-8.3 HB ILE 76 - HB2 LYS 73 far 0 91 0 - 7.9-8.5 HB ILE 52 - HB2 LYS 47 far 0 90 0 - 7.9-10.9 HG2 LYS 68 - HB2 LYS 73 far 0 88 0 - 8.7-12.4 HD3 LYS 90 - HB3 LYS 24 far 0 62 0 - 8.7-11.5 HD2 LYS 68 - HB2 LYS 73 far 0 98 0 - 8.9-11.8 HB ILE 76 - HB3 LYS 73 far 0 91 0 - 9.0-9.8 HD3 LYS 66 - HB2 LYS 73 far 0 65 0 - 9.4-11.5 HB ILE 76 - HB2 LYS 47 far 0 78 0 - 9.6-12.3 HD3 LYS 90 - HB2 LYS 24 far 0 62 0 - 9.7-12.7 HG2 LYS 68 - HB3 LYS 73 far 0 88 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3257 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 13 out of 29 assignments used, quality = 1.00: HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-4.9 4.9=52, 7211/4.1=14...(132) * HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.6-4.1 4.9=52, 7211/4.1=14...(132) HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.5 4.9=52, 7211/4.1=14...(129) HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-4.7 4.9=52, 7211/4.1=14...(129) HE2 LYS 24 + HB3 LYS 24 OK 87 87 100 100 2.6-5.2 4.9=50, 12306/3.0=19...(119) HE3 LYS 24 + HB3 LYS 24 OK 87 87 100 100 2.7-5.2 4.9=50, ~12306=18...(118) HE2 LYS 24 + HB2 LYS 24 OK 87 87 100 100 2.5-5.1 4.9=50, 12306/3.0=19...(119) HE3 LYS 24 + HB2 LYS 24 OK 87 87 100 100 3.0-4.7 4.9=50, ~12306=18...(118) HE2 LYS 47 + HB2 LYS 47 OK 75 75 100 100 2.2-4.6 4.9=52, 6.6/2134=17...(131) HE3 LYS 47 + HB2 LYS 47 OK 75 75 100 100 2.0-4.3 4.9=52, 6.6/2134=17...(131) HB2 ASN 51 + HB2 MET 1 OK 57 58 100 98 3.0-5.3 9131/3.0=48, 8030/4.2=41...(16) HE3 LYS 20 + HB3 LYS 20 OK 40 40 100 100 2.2-4.9 4.7=57, 1.8/929=14...(99) HE2 LYS 20 + HB3 LYS 20 OK 39 39 100 100 2.4-3.7 4.7=57, 1.8/929=14...(99) HE2 LYS 94 - HB3 LYS 24 far 6 62 10 - 4.3-10.2 HG2 MET 21 - HB3 LYS 24 far 4 87 5 - 5.1-6.9 HE2 LYS 20 - HB2 LYS 24 far 2 48 5 - 5.2-8.2 HE2 LYS 24 - HB3 LYS 20 far 0 74 0 - 5.5-9.2 HE3 LYS 20 - HB2 LYS 24 far 0 50 0 - 5.5-9.3 HE2 LYS 94 - HB2 LYS 24 far 0 62 0 - 5.6-11.8 HE3 LYS 20 - HB3 LYS 24 far 0 50 0 - 5.7-9.2 HG2 MET 21 - HB3 LYS 20 far 0 74 0 - 5.8-7.4 HE2 LYS 20 - HB3 LYS 24 far 0 48 0 - 6.1-8.2 HE3 LYS 24 - HB3 LYS 20 far 0 74 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 61 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 84 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 87 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 70 0 - 7.0-10.5 HE2 LYS 94 - HB3 LYS 20 far 0 51 0 - 8.1-12.6 HE3 LYS 90 - HB3 LYS 24 far 0 84 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 3258 from cnoeabs.peaks (2.95, 1.96, 32.28 ppm; 3.93 A): 13 out of 32 assignments used, quality = 1.00: HE3 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.2-4.7 4.9=52, 7212/4.1=14...(129) * HE3 LYS 73 + HB3 LYS 73 OK 100 100 100 100 2.5-4.5 4.9=52, 7212/4.1=14...(129) HE2 LYS 73 + HB3 LYS 73 OK 100 100 100 100 3.6-4.1 4.9=52, 7212/4.1=14...(132) HE2 LYS 73 + HB2 LYS 73 OK 100 100 100 100 2.7-4.9 4.9=52, 7212/4.1=14...(132) HE2 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.6-5.2 4.9=50, 12306/3.0=15...(119) HE3 LYS 24 + HB3 LYS 24 OK 83 83 100 100 2.7-5.2 4.9=50, ~12306=18...(118) HE2 LYS 24 + HB2 LYS 24 OK 83 83 100 100 2.5-5.1 4.9=50, 12306/3.0=15...(119) HE3 LYS 24 + HB2 LYS 24 OK 83 83 100 100 3.0-4.7 4.9=50, ~12306=18...(118) HE2 LYS 47 + HB2 LYS 47 OK 68 68 100 100 2.2-4.6 4.9=52, 6.6/2134=17...(131) HE3 LYS 47 + HB2 LYS 47 OK 68 68 100 100 2.0-4.3 4.9=52, 6.6/2134=17...(131) HB2 ASN 51 + HB2 MET 1 OK 58 59 100 98 3.0-5.3 9131/3.0=48, 8030/4.2=41...(16) HE3 LYS 20 + HB3 LYS 20 OK 48 48 100 100 2.2-4.9 4.7=57, 1.8/929=14...(99) HE2 LYS 20 + HB3 LYS 20 OK 46 46 100 100 2.4-3.7 4.7=57, 1.8/929=14...(99) HE2 LYS 94 - HB3 LYS 24 far 7 70 10 - 4.3-10.2 HG2 MET 21 - HB3 LYS 24 far 4 89 5 - 5.1-6.9 HE2 LYS 20 - HB2 LYS 24 far 3 57 5 - 5.2-8.2 HE2 LYS 24 - HB3 LYS 20 far 0 70 0 - 5.5-9.2 HE3 LYS 20 - HB2 LYS 24 far 0 59 0 - 5.5-9.3 HE2 LYS 94 - HB2 LYS 24 far 0 70 0 - 5.6-11.8 HE3 LYS 20 - HB3 LYS 24 far 0 59 0 - 5.7-9.2 HG2 MET 21 - HB3 LYS 20 far 0 76 0 - 5.8-7.4 HE3 LYS 94 - HB3 LYS 24 far 0 55 0 - 5.9-11.0 HE2 LYS 20 - HB3 LYS 24 far 0 57 0 - 6.1-8.2 HE3 LYS 24 - HB3 LYS 20 far 0 70 0 - 6.2-8.6 HB2 PHE 45 - HB2 LYS 47 far 0 52 0 - 6.3-8.5 HB3 PHE 45 - HB2 LYS 47 far 0 78 0 - 6.5-8.5 HG2 MET 21 - HB2 LYS 24 far 0 89 0 - 6.5-8.5 HE3 LYS 90 - HB3 LYS 20 far 0 74 0 - 7.0-10.5 HE3 LYS 94 - HB2 LYS 24 far 0 55 0 - 7.1-12.6 HE3 LYS 94 - HB3 LYS 20 far 0 45 0 - 8.0-12.5 HE2 LYS 94 - HB3 LYS 20 far 0 58 0 - 8.1-12.6 HE3 LYS 90 - HB3 LYS 24 far 0 87 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 3259 from cnoeabs.peaks (7.75, 1.96, 32.28 ppm; 3.41 A): 4 out of 6 assignments used, quality = 1.00: H MET 74 + HB2 LYS 73 OK 98 100 100 98 2.6-3.1 7213/4.1=41, 4.6=40...(21) * H MET 74 + HB3 LYS 73 OK 97 100 100 97 3.5-4.2 7213/4.1=41, 4.6=40...(18) H ALA 25 + HB2 LYS 24 OK 51 53 100 96 3.9-4.3 4.4=48, 6397/4.0=23...(22) H ALA 25 + HB3 LYS 24 OK 51 53 100 95 2.7-3.3 4.4=48, 6397/4.0=23...(21) H SER 49 - HB2 LYS 47 far 0 78 0 - 4.9-6.5 H ALA 25 - HB3 LYS 20 far 0 43 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 3260 from cnoeabs.peaks (7.84, 1.49, 25.00 ppm; 3.98 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.1-3.1 7207=100, 7208/1.8=87...(28) H ASN 26 + HG3 LYS 24 OK 24 90 30 90 4.5-6.5 6409/6402=40...(9) H LEU 3 - HG3 LYS 53 far 0 73 0 - 5.6-7.4 H LEU 3 - HG2 LYS 53 far 0 60 0 - 5.7-7.3 H SER 9 - HG3 LYS 33 far 0 63 0 - 7.2-8.7 H TYR 41 - HG3 LYS 33 far 0 80 0 - 8.2-9.4 H TYR 41 - HG2 LYS 47 far 0 94 0 - 9.7-13.6 H SER 9 - HG3 LYS 13 far 0 76 0 - 9.7-10.8 H LYS 66 - HG2 LYS 73 far 0 59 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 3261 from cnoeabs.peaks (4.17, 1.49, 25.00 ppm; 3.24 A): 3 out of 11 assignments used, quality = 1.00: * HA LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.5-3.3 3231=59, 3.0/7207=41...(44) HA LYS 13 + HG3 LYS 13 OK 93 94 100 100 3.9-4.2 486=83, 518/1.8=46...(39) HA LYS 47 + HG2 LYS 47 OK 80 81 100 99 2.4-3.4 3.9=57, 2.9/6772=42...(59) HA GLN 72 - HG2 LYS 73 far 0 95 0 - 5.4-6.0 HA MET 1 - HG2 LYS 53 far 0 55 0 - 6.0-7.7 HA MET 1 - HG3 LYS 53 far 0 68 0 - 6.3-8.7 HA GLU 23 - HG3 LYS 24 far 0 72 0 - 6.6-7.8 HB3 SER 85 - HG3 LYS 13 far 0 92 0 - 7.0-8.9 HA GLU 98 - HG3 LYS 53 far 0 66 0 - 7.9-10.9 HB2 SER 59 - HG3 LYS 13 far 0 97 0 - 8.9-10.8 HA GLU 98 - HG2 LYS 53 far 0 53 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 3262 from cnoeabs.peaks (1.96, 1.49, 25.00 ppm; 2.77 A): 8 out of 23 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.3-3.0 2.9=84, 3.0/3231=23...(66) HB3 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.5-3.0 2.9=84, 3.0/3231=23...(65) HB2 LYS 47 + HG2 LYS 47 OK 97 98 100 98 2.3-3.0 3.0=81, 2134/6772=25...(58) HB2 LYS 24 + HG3 LYS 24 OK 88 90 100 98 2.2-3.0 2.9=84, 3.0/1096=26...(64) HB3 LYS 24 + HG3 LYS 24 OK 88 90 100 98 2.4-3.0 2.9=84, 3.0/1096=26...(64) HB3 LYS 47 + HG2 LYS 47 OK 70 71 100 98 2.3-3.0 3.0=81, 3.0/2126=23...(69) QE MET 1 + HG3 LYS 53 OK 44 63 95 74 2.3-4.8 8027/3.0=23, 8023/1.8=14...(14) QE MET 1 + HG2 LYS 53 OK 38 51 100 75 2.0-3.9 8027/3.0=23, 8023/1.8=14...(16) HB2 GLU 37 - HG3 LYS 33 poor 19 78 50 48 2.9-4.7 8752/6535=16...(9) HB2 ARG 46 - HG2 LYS 47 poor 7 95 25 28 3.5-7.4 4.7/6772=17, 3.0/10178=5...(5) HB3 ARG 46 - HG2 LYS 47 far 5 100 5 - 3.9-7.0 HB VAL 32 - HG3 LYS 33 far 0 81 0 - 4.9-5.4 HB2 MET 1 - HG2 LYS 53 far 0 53 0 - 5.1-6.6 HB2 MET 1 - HG3 LYS 53 far 0 66 0 - 5.1-7.9 HB3 LYS 20 - HG3 LYS 24 far 0 75 0 - 5.5-7.6 HB2 LYS 94 - HG3 LYS 24 far 0 55 0 - 5.9-10.5 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 6.3-8.2 HB2 GLU 17 - HG3 LYS 13 far 0 95 0 - 7.0-9.5 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 7.8-11.5 HB3 ARG 46 - HG2 LYS 53 far 0 60 0 - 8.9-14.4 HB2 ARG 46 - HG2 LYS 53 far 0 53 0 - 9.5-14.4 HG3 GLU 88 - HG3 LYS 13 far 0 96 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 83 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3263 from cnoeabs.peaks (1.96, 1.49, 25.00 ppm; 2.77 A): 9 out of 24 assignments used, quality = 1.00: HB2 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.3-3.0 2.9=84, 3.0/3231=23...(66) * HB3 LYS 73 + HG2 LYS 73 OK 99 100 100 99 2.5-3.0 2.9=84, 3.0/3231=23...(65) HB2 LYS 47 + HG2 LYS 47 OK 96 98 100 98 2.3-3.0 3.0=81, 2134/6772=25...(58) HB2 LYS 24 + HG3 LYS 24 OK 87 89 100 98 2.2-3.0 2.9=84, 3.0/1096=26...(64) HB3 LYS 24 + HG3 LYS 24 OK 87 89 100 98 2.4-3.0 2.9=84, 3.0/1096=26...(64) HB3 LYS 47 + HG2 LYS 47 OK 72 73 100 98 2.3-3.0 3.0=81, 3.0/2126=23...(69) HB2 LYS 33 + HG3 LYS 33 OK 47 47 100 99 2.9-3.0 2.8=92, 3.0/1418=33...(37) QE MET 1 + HG3 LYS 53 OK 43 62 95 73 2.3-4.8 8027/3.0=23, 8023/1.8=14...(14) QE MET 1 + HG2 LYS 53 OK 37 50 100 75 2.0-3.9 8027/3.0=23, 8023/1.8=14...(16) HB2 GLU 37 - HG3 LYS 33 poor 18 76 50 47 2.9-4.7 8752/6535=16...(9) HB2 ARG 46 - HG2 LYS 47 poor 7 94 25 28 3.5-7.4 4.7/6772=17, 3.0/10178=5...(5) HB3 ARG 46 - HG2 LYS 47 far 5 100 5 - 3.9-7.0 HB VAL 32 - HG3 LYS 33 far 0 82 0 - 4.9-5.4 HB2 MET 1 - HG2 LYS 53 far 0 54 0 - 5.1-6.6 HB2 MET 1 - HG3 LYS 53 far 0 67 0 - 5.1-7.9 HB3 LYS 20 - HG3 LYS 24 far 0 76 0 - 5.5-7.6 HB2 LYS 94 - HG3 LYS 24 far 0 57 0 - 5.9-10.5 HB3 MET 74 - HG2 LYS 73 far 0 100 0 - 6.3-8.2 HB2 GLU 17 - HG3 LYS 13 far 0 95 0 - 7.0-9.5 HB3 MET 74 - HG2 LYS 47 far 0 100 0 - 7.8-11.5 HB3 ARG 46 - HG2 LYS 53 far 0 60 0 - 8.9-14.4 HB2 ARG 46 - HG2 LYS 53 far 0 52 0 - 9.5-14.4 HG3 GLU 88 - HG3 LYS 13 far 0 97 0 - 9.7-13.5 HB2 GLU 17 - HG3 LYS 24 far 0 84 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 3264 from cnoeabs.peaks (1.49, 1.49, 25.00 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HG2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 HG2 LYS 47 + HG2 LYS 47 OK 100 100 - 100 HG3 LYS 13 + HG3 LYS 13 OK 99 99 - 100 HG3 LYS 33 + HG3 LYS 33 OK 85 85 - 100 HG3 LYS 24 + HG3 LYS 24 OK 83 83 - 100 HG3 LYS 53 + HG3 LYS 53 OK 57 57 - 100 HG2 LYS 53 + HG2 LYS 53 OK 40 40 - 100 Peak 3265 from cnoeabs.peaks (1.60, 1.49, 25.00 ppm; 2.40 A): 3 out of 20 assignments used, quality = 1.00: * HG3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 47 + HG2 LYS 47 OK 87 87 100 100 1.8-1.8 1.8=100 HG2 LYS 24 + HG3 LYS 24 OK 86 86 100 100 1.8-1.8 1.8=100 HD2 LYS 94 - HG3 LYS 24 far 0 70 0 - 5.1-8.9 HD3 LYS 94 - HG3 LYS 24 far 0 90 0 - 5.1-9.7 HG3 LYS 12 - HG3 LYS 13 far 0 99 0 - 5.6-7.8 HB2 ARG 79 - HG3 LYS 53 far 0 73 0 - 6.1-9.5 HG LEU 27 - HG3 LYS 24 far 0 90 0 - 6.1-9.2 HB2 LEU 103 - HG3 LYS 53 far 0 68 0 - 6.9-13.0 HB2 ARG 30 - HG3 LYS 33 far 0 89 0 - 7.3-10.0 HB2 LEU 103 - HG2 LYS 53 far 0 56 0 - 7.3-13.6 HB2 ARG 79 - HG2 LYS 53 far 0 60 0 - 7.5-10.4 HG3 LYS 90 - HG3 LYS 24 far 0 85 0 - 8.2-12.4 HG LEU 103 - HG3 LYS 53 far 0 66 0 - 8.4-12.2 HG3 LYS 90 - HG3 LYS 13 far 0 96 0 - 8.4-12.6 HG LEU 27 - HG3 LYS 53 far 0 73 0 - 9.3-10.7 HD2 LYS 66 - HG2 LYS 73 far 0 100 0 - 9.5-12.5 HG LEU 103 - HG2 LYS 53 far 0 53 0 - 9.6-13.2 HB3 LEU 29 - HG3 LYS 24 far 0 90 0 - 9.6-12.0 HG LEU 27 - HG2 LYS 53 far 0 60 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3266 from cnoeabs.peaks (1.67, 1.49, 25.00 ppm; 2.40 A): 10 out of 44 assignments used, quality = 1.00: HD3 LYS 73 + HG2 LYS 73 OK 93 100 100 93 2.5-3.0 3.0=54, 3298/1.8=21...(57) * HD2 LYS 73 + HG2 LYS 73 OK 92 100 100 92 2.3-3.0 3.0=54, 3298/1.8=21...(50) HD2 LYS 47 + HG2 LYS 47 OK 90 98 100 92 2.3-3.0 3.0=53, 2195/1.8=10...(56) HD3 LYS 47 + HG2 LYS 47 OK 90 97 100 92 2.3-3.0 3.0=53, 2195/1.8=10...(56) HD2 LYS 13 + HG3 LYS 13 OK 61 70 100 87 2.4-3.0 3.0=54, 5.5/486=8...(44) HD2 LYS 24 + HG3 LYS 24 OK 60 67 100 90 2.2-3.0 3.0=54, 3287/1.8=9...(46) HD3 LYS 24 + HG3 LYS 24 OK 59 65 100 90 2.6-3.0 3.0=54, 4.9/1096=9...(47) HD3 LYS 13 + HG3 LYS 13 OK 57 66 100 87 2.4-3.0 3.0=54, 5.5/486=8...(41) HB3 LYS 53 + HG3 LYS 53 OK 57 64 100 89 2.4-3.0 3.0=53, 2451/3.0=24...(26) HB3 LYS 53 + HG2 LYS 53 OK 46 52 100 89 2.4-3.0 3.0=53, 2451/3.0=24...(26) HG2 PRO 86 - HG3 LYS 13 far 0 84 0 - 4.1-6.0 HB2 LEU 2 - HG2 LYS 53 far 0 35 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 60 0 - 4.9-8.4 HG LEU 70 - HG2 LYS 73 far 0 75 0 - 5.7-7.5 HB2 LEU 2 - HG3 LYS 53 far 0 44 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 5.8-8.1 HG3 LYS 20 - HG3 LYS 24 far 0 89 0 - 6.2-9.8 HD2 LYS 39 - HG2 LYS 73 far 0 98 0 - 6.3-10.8 HD3 LYS 39 - HG2 LYS 73 far 0 84 0 - 6.6-9.6 HB3 ARG 79 - HG3 LYS 53 far 0 68 0 - 6.7-9.3 HD3 LYS 12 - HG3 LYS 13 far 0 70 0 - 7.1-9.6 HB3 ARG 79 - HG2 LYS 53 far 0 56 0 - 7.1-10.3 HD2 LYS 12 - HG3 LYS 13 far 0 70 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 89 0 - 7.3-11.3 HG2 LYS 68 - HG2 LYS 73 far 0 85 0 - 7.4-11.6 HG12 ILE 15 - HG3 LYS 13 far 0 83 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 82 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 70 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 87 0 - 8.2-11.1 HD2 LYS 68 - HG2 LYS 73 far 0 96 0 - 8.2-10.3 HD3 LYS 90 - HG3 LYS 13 far 0 78 0 - 8.3-12.4 HB ILE 76 - HG2 LYS 53 far 0 47 0 - 8.4-10.4 HB2 LYS 40 - HG3 LYS 33 far 0 76 0 - 8.5-10.0 HB ILE 76 - HG3 LYS 53 far 0 58 0 - 8.9-11.2 HB ILE 52 - HG2 LYS 47 far 0 100 0 - 9.0-12.4 HB ILE 76 - HG2 LYS 73 far 0 88 0 - 9.0-10.4 HD3 LYS 90 - HG3 LYS 24 far 0 65 0 - 9.1-13.1 HB ILE 76 - HG2 LYS 47 far 0 88 0 - 9.2-12.9 HG12 ILE 15 - HG3 LYS 33 far 0 69 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 58 0 - 9.7-13.2 HB3 LEU 6 - HG3 LYS 33 far 0 79 0 - 9.8-11.5 HD3 LYS 68 - HG2 LYS 73 far 0 96 0 - 9.9-11.4 HD2 LYS 20 - HG3 LYS 13 far 0 98 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 58 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 3267 from cnoeabs.peaks (1.67, 1.49, 25.00 ppm; 2.40 A): 10 out of 44 assignments used, quality = 1.00: * HD3 LYS 73 + HG2 LYS 73 OK 93 100 100 93 2.5-3.0 3.0=54, 3298/1.8=21...(57) HD2 LYS 73 + HG2 LYS 73 OK 92 100 100 92 2.3-3.0 3.0=54, 3298/1.8=21...(50) HD2 LYS 47 + HG2 LYS 47 OK 89 96 100 92 2.3-3.0 3.0=53, 2195/1.8=9...(56) HD3 LYS 47 + HG2 LYS 47 OK 88 96 100 92 2.3-3.0 3.0=53, 2195/1.8=9...(56) HD2 LYS 24 + HG3 LYS 24 OK 58 64 100 90 2.2-3.0 3.0=54, 3287/1.8=9...(46) HD2 LYS 13 + HG3 LYS 13 OK 57 66 100 87 2.4-3.0 3.0=54, 5.5/486=8...(44) HD3 LYS 24 + HG3 LYS 24 OK 56 62 100 90 2.6-3.0 3.0=54, 4.9/1096=9...(47) HB3 LYS 53 + HG3 LYS 53 OK 55 62 100 89 2.4-3.0 3.0=53, 2451/3.0=23...(26) HD3 LYS 13 + HG3 LYS 13 OK 54 62 100 87 2.4-3.0 3.0=54, 5.5/486=8...(41) HB3 LYS 53 + HG2 LYS 53 OK 44 50 100 89 2.4-3.0 3.0=53, 2451/3.0=23...(26) HG2 PRO 86 - HG3 LYS 13 far 0 81 0 - 4.1-6.0 HB2 LEU 2 - HG2 LYS 53 far 0 32 0 - 4.9-8.3 HB ILE 52 - HG2 LYS 53 far 0 59 0 - 4.9-8.4 HG LEU 70 - HG2 LYS 73 far 0 71 0 - 5.7-7.5 HB2 LEU 2 - HG3 LYS 53 far 0 41 0 - 5.8-8.7 HB ILE 52 - HG3 LYS 53 far 0 73 0 - 5.8-8.1 HG3 LYS 20 - HG3 LYS 24 far 0 88 0 - 6.2-9.8 HD2 LYS 39 - HG2 LYS 73 far 0 99 0 - 6.3-10.8 HD3 LYS 39 - HG2 LYS 73 far 0 87 0 - 6.6-9.6 HB3 ARG 79 - HG3 LYS 53 far 0 70 0 - 6.7-9.3 HD3 LYS 12 - HG3 LYS 13 far 0 66 0 - 7.1-9.6 HB3 ARG 79 - HG2 LYS 53 far 0 57 0 - 7.1-10.3 HD2 LYS 12 - HG3 LYS 13 far 0 66 0 - 7.2-9.2 HD3 LYS 20 - HG3 LYS 24 far 0 88 0 - 7.3-11.3 HG2 LYS 68 - HG2 LYS 73 far 0 88 0 - 7.4-11.6 HG12 ILE 15 - HG3 LYS 13 far 0 79 0 - 7.5-8.5 HB3 LYS 40 - HG3 LYS 33 far 0 80 0 - 7.6-9.1 HD3 LYS 66 - HG2 LYS 73 far 0 65 0 - 8.1-10.9 HD2 LYS 20 - HG3 LYS 24 far 0 86 0 - 8.2-11.1 HD2 LYS 68 - HG2 LYS 73 far 0 98 0 - 8.2-10.3 HD3 LYS 90 - HG3 LYS 13 far 0 74 0 - 8.3-12.4 HB ILE 76 - HG2 LYS 53 far 0 49 0 - 8.4-10.4 HB2 LYS 40 - HG3 LYS 33 far 0 79 0 - 8.5-10.0 HB ILE 76 - HG3 LYS 53 far 0 61 0 - 8.9-11.2 HB ILE 52 - HG2 LYS 47 far 0 100 0 - 9.0-12.4 HB ILE 76 - HG2 LYS 73 far 0 91 0 - 9.0-10.4 HD3 LYS 90 - HG3 LYS 24 far 0 62 0 - 9.1-13.1 HB ILE 76 - HG2 LYS 47 far 0 91 0 - 9.2-12.9 HG12 ILE 15 - HG3 LYS 33 far 0 66 0 - 9.6-11.1 HD2 LYS 12 - HG3 LYS 33 far 0 54 0 - 9.7-13.2 HB3 LEU 6 - HG3 LYS 33 far 0 81 0 - 9.8-11.5 HD3 LYS 68 - HG2 LYS 73 far 0 97 0 - 9.9-11.4 HD2 LYS 20 - HG3 LYS 13 far 0 97 0 - 9.9-12.0 HD3 LYS 12 - HG3 LYS 33 far 0 54 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 3268 from cnoeabs.peaks (2.95, 1.49, 25.00 ppm; 3.60 A): 8 out of 27 assignments used, quality = 1.00: * HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.1-4.0 4.0=73, 3.0/3297=17...(113) HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.7 4.0=73, 3.0/3297=17...(110) HE3 LYS 13 + HG3 LYS 13 OK 99 99 100 100 2.0-3.6 3.8=84, 576/1.8=23...(76) HE2 LYS 13 + HG3 LYS 13 OK 98 98 100 100 2.1-3.6 3.8=84, 576/1.8=23...(76) HE2 LYS 47 + HG2 LYS 47 OK 88 88 100 100 2.4-4.0 3.8=87, 12106/12088=16...(127) HE3 LYS 47 + HG2 LYS 47 OK 88 88 100 100 2.3-3.8 3.8=87, 6.6/6772=16...(127) HE2 LYS 24 + HG3 LYS 24 OK 87 87 100 100 2.0-3.9 3.7=91, 6.2/1096=15...(107) HE3 LYS 24 + HG3 LYS 24 OK 87 87 100 100 2.2-3.9 3.7=91, 6.2/1096=15...(106) HE2 LYS 94 - HG3 LYS 24 far 9 62 15 - 3.6-11.3 HB2 ASN 51 - HG2 LYS 53 far 0 59 0 - 5.1-7.6 HB2 ASN 51 - HG3 LYS 53 far 0 73 0 - 5.9-8.4 HB3 PHE 45 - HG2 LYS 47 far 0 96 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 73 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 87 0 - 6.7-8.8 HE3 LYS 20 - HG3 LYS 24 far 0 50 0 - 7.4-10.9 HE2 LYS 20 - HG3 LYS 24 far 0 48 0 - 7.4-10.7 HB2 PHE 45 - HG2 LYS 53 far 0 37 0 - 7.8-10.9 HE3 LYS 90 - HG3 LYS 13 far 0 95 0 - 7.9-12.9 HB3 PHE 45 - HG2 LYS 53 far 0 53 0 - 8.0-9.9 HB2 ASN 10 - HG3 LYS 13 far 0 87 0 - 8.0-9.5 HE3 LYS 12 - HG3 LYS 13 far 0 96 0 - 8.6-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 66 0 - 8.8-11.1 HE3 LYS 20 - HG3 LYS 13 far 0 60 0 - 8.9-13.6 HE3 LYS 12 - HG3 LYS 33 far 0 84 0 - 9.0-14.0 HB2 PHE 45 - HG3 LYS 53 far 0 46 0 - 9.1-11.0 HE3 LYS 90 - HG3 LYS 24 far 0 84 0 - 9.2-13.2 HB2 ASN 10 - HG3 LYS 33 far 0 74 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3269 from cnoeabs.peaks (2.95, 1.49, 25.00 ppm; 3.60 A): 8 out of 30 assignments used, quality = 1.00: * HE3 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.2-3.7 4.0=73, 3.0/3297=17...(110) HE2 LYS 73 + HG2 LYS 73 OK 100 100 100 100 2.1-4.0 4.0=73, 3.0/3297=17...(113) HE3 LYS 13 + HG3 LYS 13 OK 97 97 100 100 2.0-3.6 3.8=84, 576/1.8=22...(76) HE2 LYS 13 + HG3 LYS 13 OK 96 96 100 100 2.1-3.6 3.8=84, 576/1.8=22...(76) HE2 LYS 24 + HG3 LYS 24 OK 83 83 100 100 2.0-3.9 3.7=91, 6.2/1096=15...(107) HE3 LYS 24 + HG3 LYS 24 OK 83 83 100 100 2.2-3.9 3.7=91, 6.2/1096=15...(106) HE2 LYS 47 + HG2 LYS 47 OK 80 81 100 100 2.4-4.0 3.8=87, 6.6/6772=16...(127) HE3 LYS 47 + HG2 LYS 47 OK 80 81 100 100 2.3-3.8 3.8=87, 6.6/6772=16...(127) HE2 LYS 94 - HG3 LYS 24 far 11 70 15 - 3.6-11.3 HE3 LYS 94 - HG3 LYS 24 far 0 55 0 - 5.1-11.2 HB2 ASN 51 - HG2 LYS 53 far 0 60 0 - 5.1-7.6 HB2 ASN 51 - HG3 LYS 53 far 0 73 0 - 5.9-8.4 HB3 PHE 45 - HG2 LYS 47 far 0 91 0 - 6.3-9.7 HB2 PHE 45 - HG2 LYS 47 far 0 63 0 - 6.5-9.6 HG2 MET 21 - HG3 LYS 24 far 0 89 0 - 6.7-8.8 HE3 LYS 20 - HG3 LYS 24 far 0 59 0 - 7.4-10.9 HE2 LYS 20 - HG3 LYS 24 far 0 57 0 - 7.4-10.7 HB2 PHE 45 - HG2 LYS 53 far 0 31 0 - 7.8-10.9 HE3 LYS 90 - HG3 LYS 13 far 0 98 0 - 7.9-12.9 HB3 PHE 45 - HG2 LYS 53 far 0 49 0 - 8.0-9.9 HB2 ASN 10 - HG3 LYS 13 far 0 93 0 - 8.0-9.5 HE3 LYS 12 - HG3 LYS 13 far 0 92 0 - 8.6-10.0 HB3 PHE 45 - HG3 LYS 53 far 0 61 0 - 8.8-11.1 HE3 LYS 20 - HG3 LYS 13 far 0 70 0 - 8.9-13.6 HE3 LYS 12 - HG3 LYS 33 far 0 79 0 - 9.0-14.0 HB2 PHE 45 - HG3 LYS 53 far 0 39 0 - 9.1-11.0 HE3 LYS 68 - HG2 LYS 73 far 0 61 0 - 9.2-12.7 HE3 LYS 90 - HG3 LYS 24 far 0 87 0 - 9.2-13.2 HE2 LYS 68 - HG2 LYS 73 far 0 65 0 - 9.3-12.9 HB2 ASN 10 - HG3 LYS 33 far 0 80 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 3270 from cnoeabs.peaks (7.75, 1.49, 25.00 ppm; 4.94 A): 4 out of 7 assignments used, quality = 1.00: * H MET 74 + HG2 LYS 73 OK 100 100 100 100 4.2-4.9 7219=91, 7213/7207=82...(15) H GLU 37 + HG3 LYS 33 OK 84 89 100 95 5.1-6.3 8805/6535=60...(11) H ALA 25 + HG3 LYS 24 OK 53 53 100 100 2.7-5.2 3.6/1096=65, 6402=52...(18) H SER 49 + HG2 LYS 47 OK 21 91 30 76 6.1-7.7 6795/6784=59...(5) H VAL 78 - HG3 LYS 53 far 0 71 0 - 6.7-8.9 H VAL 78 - HG2 LYS 53 far 0 58 0 - 6.8-8.6 H SER 49 - HG2 LYS 53 far 0 49 0 - 8.5-11.5 Violated in 0 structures by 0.00 A. Peak 3271 from cnoeabs.peaks (7.84, 1.60, 25.00 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: * H LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-3.5 7208=100, 7207/1.8=78...(32) H ASN 26 + HG2 LYS 24 OK 76 96 85 94 4.9-6.3 8606/6385=44, 8618=28...(13) H SER 9 - HG3 LYS 12 far 0 76 0 - 9.1-10.6 H TYR 41 - HG3 LYS 47 far 0 64 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 3272 from cnoeabs.peaks (4.17, 1.60, 25.00 ppm; 3.77 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.5 4.1=79, 3.0/7208=63...(53) HA LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.5-3.5 3.9=90, 2.9/6773=53...(68) HA LYS 13 - HG3 LYS 12 far 14 94 15 - 3.0-6.4 HA GLN 72 - HG3 LYS 73 far 0 95 0 - 5.4-6.5 HB3 SER 85 - HG3 LYS 90 far 0 59 0 - 6.4-10.7 HA GLU 23 - HG2 LYS 24 far 0 78 0 - 7.0-7.7 HA LYS 13 - HG3 LYS 90 far 0 61 0 - 8.1-11.6 HA GLU 98 - HG2 LYS 24 far 0 89 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 3273 from cnoeabs.peaks (1.96, 1.60, 25.00 ppm; 2.96 A): 7 out of 22 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.2-3.0 2.9=100 HB2 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.5-3.0 2.9=100 HB2 LYS 47 + HG3 LYS 47 OK 70 70 100 100 2.3-3.0 3.0=99, 2134/6773=28...(67) HB3 LYS 47 + HG3 LYS 47 OK 45 45 100 100 2.3-3.0 3.0=99, 4.0/6773=23...(73) HB2 GLU 17 + HG3 LYS 90 OK 40 62 90 73 2.0-5.1 12027=19, 1.8/12029=16...(20) HB2 ARG 46 - HG3 LYS 47 poor 13 65 20 - 3.6-6.7 HB3 ARG 46 - HG3 LYS 47 far 7 73 10 - 4.4-6.0 HB2 LYS 94 - HG2 LYS 24 far 0 60 0 - 5.3-10.8 HB3 LYS 20 - HG2 LYS 24 far 0 81 0 - 5.5-7.8 HB3 LYS 20 - HG3 LYS 90 far 0 54 0 - 5.6-9.7 HB3 MET 74 - HG3 LYS 73 far 0 100 0 - 6.6-8.3 HB2 LYS 94 - HG3 LYS 90 far 0 39 0 - 6.6-9.7 HB3 MET 74 - HG3 LYS 47 far 0 73 0 - 7.0-11.5 HB3 LYS 24 - HG3 LYS 90 far 0 68 0 - 7.4-10.5 HB3 ARG 19 - HG3 LYS 90 far 0 48 0 - 7.8-11.2 HG3 GLU 88 - HG3 LYS 90 far 0 63 0 - 8.0-10.5 HB2 GLU 17 - HG3 LYS 12 far 0 95 0 - 8.2-12.9 HB2 LYS 24 - HG3 LYS 90 far 0 68 0 - 8.4-11.6 HB3 ARG 19 - HG3 LYS 12 far 0 80 0 - 9.7-12.8 HB2 ARG 46 - HG3 LYS 73 far 0 95 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3274 from cnoeabs.peaks (1.96, 1.60, 25.00 ppm; 2.96 A): 7 out of 22 assignments used, quality = 1.00: HB2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.3-3.0 2.9=100 * HB3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.5-3.0 2.9=100 HB3 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.2-3.0 2.9=100 HB2 LYS 24 + HG2 LYS 24 OK 95 95 100 100 2.5-3.0 2.9=100 HB2 LYS 47 + HG3 LYS 47 OK 69 69 100 100 2.3-3.0 3.0=99, 2134/6773=28...(67) HB3 LYS 47 + HG3 LYS 47 OK 46 46 100 100 2.3-3.0 3.0=99, 4.0/6773=23...(73) HB2 GLU 17 + HG3 LYS 90 OK 41 62 90 73 2.0-5.1 12027=19, 1.8/12029=16...(20) HB2 ARG 46 - HG3 LYS 47 poor 13 64 20 - 3.6-6.7 HB3 ARG 46 - HG3 LYS 47 far 7 73 10 - 4.4-6.0 HB2 LYS 94 - HG2 LYS 24 far 0 62 0 - 5.3-10.8 HB3 LYS 20 - HG2 LYS 24 far 0 82 0 - 5.5-7.8 HB3 LYS 20 - HG3 LYS 90 far 0 56 0 - 5.6-9.7 HB3 MET 74 - HG3 LYS 73 far 0 100 0 - 6.6-8.3 HB2 LYS 94 - HG3 LYS 90 far 0 40 0 - 6.6-9.7 HB3 MET 74 - HG3 LYS 47 far 0 72 0 - 7.0-11.5 HB3 LYS 24 - HG3 LYS 90 far 0 68 0 - 7.4-10.5 HB3 ARG 19 - HG3 LYS 90 far 0 50 0 - 7.8-11.2 HG3 GLU 88 - HG3 LYS 90 far 0 64 0 - 8.0-10.5 HB2 GLU 17 - HG3 LYS 12 far 0 96 0 - 8.2-12.9 HB2 LYS 24 - HG3 LYS 90 far 0 68 0 - 8.4-11.6 HB3 ARG 19 - HG3 LYS 12 far 0 81 0 - 9.7-12.8 HB2 ARG 46 - HG3 LYS 73 far 0 94 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3275 from cnoeabs.peaks (1.49, 1.60, 25.00 ppm; 2.40 A): 3 out of 20 assignments used, quality = 1.00: * HG2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 24 + HG2 LYS 24 OK 89 89 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HG3 LYS 47 OK 73 73 100 100 1.8-1.8 1.8=100 HB2 ARG 91 - HG3 LYS 90 far 0 68 0 - 4.2-7.5 HG2 LYS 20 - HG3 LYS 90 far 0 39 0 - 4.6-8.8 HB2 LEU 14 - HG3 LYS 90 far 0 46 0 - 5.5-9.4 HG3 LYS 13 - HG3 LYS 12 far 0 100 0 - 5.6-7.8 HG LEU 57 - HG3 LYS 90 far 0 66 0 - 6.7-9.3 HG13 ILE 52 - HG3 LYS 47 far 0 42 0 - 7.8-12.3 HG2 LYS 20 - HG2 LYS 24 far 0 60 0 - 8.0-10.2 HB2 LEU 27 - HG2 LYS 24 far 0 60 0 - 8.0-9.7 HB2 LEU 14 - HG3 LYS 12 far 0 76 0 - 8.2-10.0 HG3 LYS 24 - HG3 LYS 90 far 0 62 0 - 8.2-12.4 HG LEU 38 - HG3 LYS 73 far 0 71 0 - 8.3-12.4 HG3 LYS 66 - HG3 LYS 73 far 0 100 0 - 8.3-14.2 HG3 LYS 13 - HG3 LYS 90 far 0 68 0 - 8.4-12.6 HB2 LEU 38 - HG3 LYS 73 far 0 63 0 - 8.4-12.0 HB ILE 7 - HG3 LYS 90 far 0 46 0 - 8.9-11.7 HD3 LYS 40 - HG3 LYS 47 far 0 53 0 - 9.5-13.3 HD2 LYS 40 - HG3 LYS 47 far 0 52 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 3276 from cnoeabs.peaks (1.60, 1.60, 25.00 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 HG3 LYS 12 + HG3 LYS 12 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 92 92 - 100 HG3 LYS 90 + HG3 LYS 90 OK 63 63 - 100 HG3 LYS 47 + HG3 LYS 47 OK 57 57 - 100 Peak 3277 from cnoeabs.peaks (1.67, 1.60, 25.00 ppm; 2.40 A): 9 out of 38 assignments used, quality = 1.00: HD3 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.4-3.0 3.0=54, 1.8/3298=21...(58) * HD2 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.3-3.0 3.0=54, 1.8/3298=21...(51) HD2 LYS 24 + HG2 LYS 24 OK 66 73 100 90 2.2-3.0 3.0=54, 1.8/1121=11...(50) HD2 LYS 12 + HG3 LYS 12 OK 65 71 100 92 2.6-3.0 3.0=52, 3.0/464=22...(44) HD3 LYS 12 + HG3 LYS 12 OK 65 71 100 92 2.2-2.7 3.0=52, 3.0/464=22...(44) HD3 LYS 24 + HG2 LYS 24 OK 64 71 100 90 2.2-2.9 3.0=54, 1.8/1121=11...(51) HD2 LYS 47 + HG3 LYS 47 OK 63 68 100 92 2.3-3.0 3.0=53, 1.8/3298=8...(68) HD3 LYS 47 + HG3 LYS 47 OK 63 68 100 93 2.3-3.0 3.0=53, 1.8/3298=9...(68) HD3 LYS 90 + HG3 LYS 90 OK 41 47 100 87 2.2-3.0 2.9=54, 7422/7420=12...(25) HG3 LYS 20 - HG3 LYS 90 far 0 67 0 - 4.4-9.6 HD3 LYS 20 - HG3 LYS 90 far 0 67 0 - 5.0-9.8 HB3 ARG 91 - HG3 LYS 90 far 0 62 0 - 5.2-8.3 HG2 PRO 86 - HG3 LYS 90 far 0 52 0 - 5.2-8.3 HG LEU 70 - HG3 LYS 73 far 0 75 0 - 5.2-8.1 HD2 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.6-9.0 HD2 LYS 13 - HG3 LYS 12 far 0 71 0 - 5.7-8.8 HD2 LYS 39 - HG3 LYS 73 far 0 98 0 - 5.9-10.2 HD3 LYS 13 - HG3 LYS 12 far 0 67 0 - 6.1-8.9 HD3 LYS 39 - HG3 LYS 73 far 0 84 0 - 6.5-10.3 HG3 LYS 20 - HG2 LYS 24 far 0 94 0 - 6.5-10.1 HD3 LYS 13 - HG3 LYS 90 far 0 39 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 42 0 - 6.9-13.4 HG2 LYS 68 - HG3 LYS 73 far 0 85 0 - 7.2-12.1 HG12 ILE 15 - HG3 LYS 12 far 0 83 0 - 7.2-8.4 HD3 LYS 24 - HG3 LYS 90 far 0 47 0 - 7.5-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 70 0 - 8.2-12.3 HD2 LYS 20 - HG3 LYS 12 far 0 98 0 - 8.3-12.8 HD3 LYS 20 - HG2 LYS 24 far 0 94 0 - 8.5-10.7 HB ILE 76 - HG3 LYS 73 far 0 88 0 - 8.5-10.4 HD2 LYS 24 - HG3 LYS 90 far 0 48 0 - 8.6-13.7 HD2 LYS 20 - HG2 LYS 24 far 0 93 0 - 8.7-11.2 HD2 LYS 68 - HG3 LYS 73 far 0 96 0 - 8.7-11.0 HG12 ILE 15 - HG3 LYS 90 far 0 51 0 - 8.8-11.9 HB ILE 76 - HG3 LYS 47 far 0 58 0 - 9.0-12.1 HB ILE 52 - HG3 LYS 47 far 0 73 0 - 9.1-11.9 HD3 LYS 90 - HG2 LYS 24 far 0 71 0 - 9.6-13.0 HD3 LYS 20 - HG3 LYS 12 far 0 99 0 - 9.6-13.3 HD3 LYS 68 - HG3 LYS 73 far 0 96 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3278 from cnoeabs.peaks (1.67, 1.60, 25.00 ppm; 2.40 A): 9 out of 38 assignments used, quality = 1.00: * HD3 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.4-3.0 3.0=54, 1.8/3298=21...(58) HD2 LYS 73 + HG3 LYS 73 OK 92 100 100 92 2.3-3.0 3.0=54, 1.8/3298=21...(51) HD2 LYS 24 + HG2 LYS 24 OK 63 70 100 90 2.2-3.0 3.0=54, 1.8/1121=11...(50) HD2 LYS 47 + HG3 LYS 47 OK 62 67 100 92 2.3-3.0 3.0=53, 1.8/3298=8...(67) HD2 LYS 12 + HG3 LYS 12 OK 61 67 100 92 2.6-3.0 3.0=52, 3.0/464=22...(44) HD3 LYS 12 + HG3 LYS 12 OK 61 67 100 92 2.2-2.7 3.0=52, 3.0/464=22...(44) HD3 LYS 24 + HG2 LYS 24 OK 61 68 100 90 2.2-2.9 3.0=54, 1.8/1121=11...(51) HD3 LYS 47 + HG3 LYS 47 OK 61 66 100 92 2.3-3.0 3.0=53, 1.8/3298=9...(68) HD3 LYS 90 + HG3 LYS 90 OK 38 44 100 86 2.2-3.0 2.9=54, ~4005=12...(25) HG3 LYS 20 - HG3 LYS 90 far 0 66 0 - 4.4-9.6 HD3 LYS 20 - HG3 LYS 90 far 0 66 0 - 5.0-9.8 HB3 ARG 91 - HG3 LYS 90 far 0 61 0 - 5.2-8.3 HG2 PRO 86 - HG3 LYS 90 far 0 50 0 - 5.2-8.3 HG LEU 70 - HG3 LYS 73 far 0 71 0 - 5.2-8.1 HD2 LYS 20 - HG3 LYS 90 far 0 65 0 - 5.6-9.0 HD2 LYS 13 - HG3 LYS 12 far 0 67 0 - 5.7-8.8 HD2 LYS 39 - HG3 LYS 73 far 0 99 0 - 5.9-10.2 HD3 LYS 13 - HG3 LYS 12 far 0 63 0 - 6.1-8.9 HD3 LYS 39 - HG3 LYS 73 far 0 87 0 - 6.5-10.3 HG3 LYS 20 - HG2 LYS 24 far 0 94 0 - 6.5-10.1 HD3 LYS 13 - HG3 LYS 90 far 0 36 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 39 0 - 6.9-13.4 HG2 LYS 68 - HG3 LYS 73 far 0 88 0 - 7.2-12.1 HG12 ILE 15 - HG3 LYS 12 far 0 80 0 - 7.2-8.4 HD3 LYS 24 - HG3 LYS 90 far 0 44 0 - 7.5-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 65 0 - 8.2-12.3 HD2 LYS 20 - HG3 LYS 12 far 0 98 0 - 8.3-12.8 HD3 LYS 20 - HG2 LYS 24 far 0 94 0 - 8.5-10.7 HB ILE 76 - HG3 LYS 73 far 0 91 0 - 8.5-10.4 HD2 LYS 24 - HG3 LYS 90 far 0 46 0 - 8.6-13.7 HD2 LYS 20 - HG2 LYS 24 far 0 92 0 - 8.7-11.2 HD2 LYS 68 - HG3 LYS 73 far 0 98 0 - 8.7-11.0 HG12 ILE 15 - HG3 LYS 90 far 0 48 0 - 8.8-11.9 HB ILE 76 - HG3 LYS 47 far 0 61 0 - 9.0-12.1 HB ILE 52 - HG3 LYS 47 far 0 73 0 - 9.1-11.9 HD3 LYS 90 - HG2 LYS 24 far 0 68 0 - 9.6-13.0 HD3 LYS 20 - HG3 LYS 12 far 0 99 0 - 9.6-13.3 HD3 LYS 68 - HG3 LYS 73 far 0 97 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3279 from cnoeabs.peaks (2.95, 1.60, 25.00 ppm; 3.63 A): 9 out of 28 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.1-3.8 4.0=75, 3.0/3298=28...(117) HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-3.2 4.0=75, 3.0/3298=28...(116) HE3 LYS 12 + HG3 LYS 12 OK 96 96 100 100 2.2-4.1 4.0=77, 1.8/464=72...(52) HE2 LYS 24 + HG2 LYS 24 OK 92 93 100 100 2.0-4.1 3.7=93, 3.0/1121=14...(115) HE3 LYS 24 + HG2 LYS 24 OK 92 93 100 100 2.0-4.2 3.7=93, 3.0/1121=14...(114) HE3 LYS 90 + HG3 LYS 90 OK 62 62 100 100 2.0-3.1 3.8=89, 4005/1.8=68...(28) HE2 LYS 47 + HG3 LYS 47 OK 58 58 100 100 2.4-4.0 3.8=90, 1.8/2217=15...(138) HE3 LYS 47 + HG3 LYS 47 OK 58 58 100 100 2.4-3.8 3.8=90, 1.8/2217=15...(138) HG2 MET 21 + HG3 LYS 90 OK 54 65 90 91 2.5-6.3 3920/4.0=37, 3955/1.8=22...(24) HE2 LYS 94 - HG2 LYS 24 far 10 68 15 - 3.1-11.5 HE2 LYS 20 - HG3 LYS 90 far 2 34 5 - 5.1-10.0 HE2 LYS 94 - HG3 LYS 90 far 0 44 0 - 5.3-8.9 HB2 ASN 10 - HG3 LYS 12 far 0 87 0 - 6.3-10.1 HG2 MET 21 - HG2 LYS 24 far 0 93 0 - 6.4-9.2 HB3 PHE 45 - HG3 LYS 47 far 0 66 0 - 6.5-8.7 HE3 LYS 20 - HG2 LYS 24 far 0 55 0 - 6.6-11.6 HE2 LYS 20 - HG2 LYS 24 far 0 53 0 - 6.6-10.5 HE3 LYS 20 - HG3 LYS 90 far 0 35 0 - 6.7-10.5 HB2 PHE 45 - HG3 LYS 47 far 0 46 0 - 6.7-9.0 HE3 LYS 13 - HG3 LYS 12 far 0 99 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 90 far 0 66 0 - 7.5-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 67 0 - 7.5-13.7 HE2 LYS 13 - HG3 LYS 12 far 0 99 0 - 8.1-10.5 HE2 LYS 24 - HG3 LYS 90 far 0 65 0 - 8.3-12.9 HE3 LYS 24 - HG3 LYS 90 far 0 65 0 - 8.8-13.3 HE3 LYS 20 - HG3 LYS 12 far 0 61 0 - 9.2-14.9 HE3 LYS 90 - HG2 LYS 24 far 0 90 0 - 9.2-14.0 HE2 LYS 20 - HG3 LYS 12 far 0 59 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 3280 from cnoeabs.peaks (2.95, 1.60, 25.00 ppm; 3.63 A): 9 out of 32 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.0-3.2 4.0=75, 3.0/3298=28...(116) HE2 LYS 73 + HG3 LYS 73 OK 100 100 100 100 2.1-3.8 4.0=75, 3.0/3298=28...(117) HE3 LYS 12 + HG3 LYS 12 OK 92 92 100 100 2.2-4.1 4.0=77, 1.8/464=72...(52) HE2 LYS 24 + HG2 LYS 24 OK 89 89 100 100 2.0-4.1 3.7=93, 3.0/1121=14...(115) HE3 LYS 24 + HG2 LYS 24 OK 89 89 100 100 2.0-4.2 3.7=93, 3.0/1121=14...(114) HE3 LYS 90 + HG3 LYS 90 OK 66 66 100 100 2.0-3.1 3.8=89, 4005/1.8=71...(28) HG2 MET 21 + HG3 LYS 90 OK 56 68 90 92 2.5-6.3 3920/4.0=39, 3955/1.8=23...(24) HE2 LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.4-4.0 3.8=90, 1.8/2206=15...(138) HE3 LYS 47 + HG3 LYS 47 OK 52 52 100 100 2.4-3.8 3.8=90, 1.8/2206=15...(138) HE2 LYS 94 - HG2 LYS 24 far 11 76 15 - 3.1-11.5 HE3 LYS 94 - HG2 LYS 24 far 6 60 10 - 4.4-11.1 HE2 LYS 20 - HG3 LYS 90 far 2 40 5 - 5.1-10.0 HE3 LYS 94 - HG3 LYS 90 far 2 39 5 - 4.2-9.3 HE2 LYS 94 - HG3 LYS 90 far 0 51 0 - 5.3-8.9 HB2 ASN 10 - HG3 LYS 12 far 0 93 0 - 6.3-10.1 HG2 MET 21 - HG2 LYS 24 far 0 95 0 - 6.4-9.2 HB3 PHE 45 - HG3 LYS 47 far 0 61 0 - 6.5-8.7 HE3 LYS 20 - HG2 LYS 24 far 0 64 0 - 6.6-11.6 HE2 LYS 20 - HG2 LYS 24 far 0 62 0 - 6.6-10.5 HE3 LYS 20 - HG3 LYS 90 far 0 42 0 - 6.7-10.5 HB2 PHE 45 - HG3 LYS 47 far 0 39 0 - 6.7-9.0 HE3 LYS 13 - HG3 LYS 12 far 0 98 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 90 far 0 63 0 - 7.5-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 65 0 - 7.5-13.7 HE2 LYS 13 - HG3 LYS 12 far 0 96 0 - 8.1-10.5 HE2 LYS 24 - HG3 LYS 90 far 0 62 0 - 8.3-12.9 HE3 LYS 24 - HG3 LYS 90 far 0 62 0 - 8.8-13.3 HE3 LYS 20 - HG3 LYS 12 far 0 71 0 - 9.2-14.9 HE3 LYS 90 - HG2 LYS 24 far 0 93 0 - 9.2-14.0 HE2 LYS 68 - HG3 LYS 73 far 0 65 0 - 9.2-13.2 HE3 LYS 68 - HG3 LYS 73 far 0 61 0 - 9.5-13.1 HE2 LYS 20 - HG3 LYS 12 far 0 69 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 3281 from cnoeabs.peaks (7.75, 1.60, 25.00 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: * H MET 74 + HG3 LYS 73 OK 100 100 100 100 3.9-5.1 7220=100, 7213/7208=90...(16) H ALA 25 + HG2 LYS 24 OK 58 58 100 100 3.5-4.6 4.6/6385=63, 3.6/1053=50...(20) H SER 49 - HG3 LYS 47 poor 14 61 35 68 6.0-7.5 6795/6785=50...(4) H ALA 25 - HG3 LYS 90 far 0 38 0 - 8.9-11.7 H VAL 78 - HG3 LYS 73 far 0 99 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 3282 from cnoeabs.peaks (7.84, 1.67, 28.90 ppm; 4.23 A): 4 out of 8 assignments used, quality = 1.00: * H LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.2-4.6 7208/3.0=75, 7207/3.0=68...(40) H LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.4-4.9 7208/3.0=75, 7207/3.0=68...(38) H ASN 26 + HD2 LYS 24 OK 31 63 60 82 4.7-8.3 3271/3.0=29, 8606/6.3=26...(8) H ASN 26 + HD3 LYS 24 OK 30 60 60 82 4.7-8.1 3271/3.0=29, 8606/6.3=26...(8) H TYR 41 - HD2 LYS 47 far 0 47 0 - 9.5-12.6 H TYR 41 - HD3 LYS 47 far 0 45 0 - 9.5-12.5 H LYS 66 - HD2 LYS 73 far 0 59 0 - 9.6-12.2 H LYS 66 - HD3 LYS 73 far 0 59 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3283 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 3.87 A): 4 out of 15 assignments used, quality = 1.00: * HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.1-4.9 3231/3.0=43, 3232/3.0=43...(75) HA LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.1-4.9 3231/3.0=43, 3232/3.0=43...(79) HA LYS 47 + HD2 LYS 47 OK 37 37 100 100 3.9-4.9 5.1=44, 2126/3.0=33...(102) HA LYS 47 + HD3 LYS 47 OK 36 36 100 100 4.4-5.0 5.1=44, 2126/3.0=33...(102) HA LYS 13 - HD2 LYS 20 far 0 65 0 - 6.4-8.5 HA LYS 13 - HD3 LYS 20 far 0 67 0 - 6.4-9.6 HA GLU 23 - HD3 LYS 24 far 0 45 0 - 6.7-8.8 HA GLU 23 - HD2 LYS 24 far 0 47 0 - 7.1-8.4 HB3 SER 85 - HB3 ARG 91 far 0 44 0 - 7.3-10.7 HA GLN 72 - HD3 LYS 73 far 0 95 0 - 7.6-8.1 HA GLN 72 - HD2 LYS 73 far 0 95 0 - 7.6-7.9 HA GLU 23 - HD2 LYS 20 far 0 56 0 - 9.0-10.4 HA GLU 98 - HD2 LYS 24 far 0 56 0 - 9.1-14.5 HA GLU 23 - HD3 LYS 20 far 0 58 0 - 9.2-10.7 HA GLU 98 - HD3 LYS 24 far 0 53 0 - 9.5-14.4 Violated in 0 structures by 0.00 A. Peak 3284 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 14 out of 39 assignments used, quality = 1.00: * HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.9-3.3 3.6=61, 3.0/3294=13...(132) HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=61, 3.0/3294=13...(131) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.4-3.4 3.6=61, 3.0/3294=13...(128) HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=61, 3.0/3294=13...(128) HB3 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.2-4.2 3.6=63, ~1096=13...(110) HB2 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.0-3.7 3.6=63, ~1096=13...(110) HB3 LYS 20 + HD3 LYS 20 OK 59 61 100 98 2.7-4.1 3.5=64, 871/5.9=11...(74) HB3 LYS 24 + HD3 LYS 24 OK 59 59 100 99 2.2-3.6 3.6=63, ~1096=13...(110) HB2 LYS 24 + HD3 LYS 24 OK 59 59 100 99 2.1-4.2 3.6=63, ~1096=13...(110) HB3 LYS 20 + HD2 LYS 20 OK 57 58 100 98 3.3-4.1 3.5=64, 871/5.9=11...(74) HB2 LYS 47 + HD2 LYS 47 OK 51 51 100 99 2.6-3.9 3.9=46, 2134/6774=14...(108) HB2 LYS 47 + HD3 LYS 47 OK 50 50 100 99 2.2-3.7 3.9=46, 2134/6774=14...(108) HB3 LYS 47 + HD2 LYS 47 OK 32 32 100 99 2.5-3.9 3.9=46, 4.0/6774=13...(118) HB3 LYS 47 + HD3 LYS 47 OK 31 31 100 99 2.1-3.8 3.9=46, 4.0/6774=13...(118) HB3 ARG 19 - HD2 LYS 20 poor 13 52 25 - 3.8-7.2 HB2 GLU 17 - HD2 LYS 20 far 10 66 15 - 3.4-6.6 HB2 GLU 17 - HD3 LYS 20 far 3 68 5 - 4.4-6.7 HB3 LYS 20 - HD3 LYS 24 far 2 47 5 - 4.4-8.9 HB2 LYS 94 - HB3 ARG 91 far 1 29 5 - 4.5-7.7 HB3 LYS 20 - HD2 LYS 24 far 0 49 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 54 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 35 0 - 5.2-11.0 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 46 0 - 5.5-8.2 HB2 LYS 94 - HD3 LYS 24 far 0 33 0 - 5.6-12.0 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 54 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 48 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 75 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 75 0 - 6.7-9.0 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 6.9-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.1-9.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.3-9.5 HB3 MET 74 - HD2 LYS 47 far 0 54 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 8.3-11.4 HB2 GLU 17 - HB3 ARG 91 far 0 46 0 - 8.7-11.0 HB3 ARG 19 - HD3 LYS 24 far 0 42 0 - 9.5-13.9 HB3 ARG 19 - HD2 LYS 24 far 0 44 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3285 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 14 out of 39 assignments used, quality = 1.00: HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.9-3.3 3.6=61, 3.0/3294=13...(132) HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=61, 3.0/3294=13...(131) * HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.4-3.4 3.6=61, 3.0/3294=13...(128) HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=61, 3.0/3294=13...(128) HB3 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.2-4.2 3.6=63, ~1096=13...(110) HB2 LYS 24 + HD2 LYS 24 OK 61 62 100 99 2.0-3.7 3.6=63, ~1096=13...(110) HB3 LYS 20 + HD3 LYS 20 OK 60 62 100 98 2.7-4.1 3.5=64, 871/5.9=12...(74) HB3 LYS 24 + HD3 LYS 24 OK 58 59 100 99 2.2-3.6 3.6=63, ~1096=13...(110) HB2 LYS 24 + HD3 LYS 24 OK 58 59 100 99 2.1-4.2 3.6=63, ~1096=13...(110) HB3 LYS 20 + HD2 LYS 20 OK 58 59 100 98 3.3-4.1 3.5=64, 871/5.9=12...(74) HB2 LYS 47 + HD2 LYS 47 OK 50 51 100 99 2.6-3.9 3.9=46, 2134/6774=14...(108) HB2 LYS 47 + HD3 LYS 47 OK 49 50 100 99 2.2-3.7 3.9=46, 2134/6774=14...(108) HB3 LYS 47 + HD2 LYS 47 OK 33 33 100 99 2.5-3.9 3.9=46, 4.0/6774=13...(118) HB3 LYS 47 + HD3 LYS 47 OK 32 32 100 99 2.1-3.8 3.9=46, 4.0/6774=13...(118) HB3 ARG 19 - HD2 LYS 20 poor 13 53 25 - 3.8-7.2 HB2 GLU 17 - HD2 LYS 20 far 10 66 15 - 3.4-6.6 HB2 GLU 17 - HD3 LYS 20 far 3 69 5 - 4.4-6.7 HB3 LYS 20 - HD3 LYS 24 far 2 48 5 - 4.4-8.9 HB2 LYS 94 - HB3 ARG 91 far 1 30 5 - 4.5-7.7 HB3 LYS 20 - HD2 LYS 24 far 0 50 0 - 5.0-8.4 HB3 ARG 19 - HD3 LYS 20 far 0 55 0 - 5.1-7.3 HB2 LYS 94 - HD2 LYS 24 far 0 36 0 - 5.2-11.0 HB2 ARG 46 - HD2 LYS 47 far 0 47 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 45 0 - 5.5-8.2 HB2 LYS 94 - HD3 LYS 24 far 0 35 0 - 5.6-12.0 HB3 ARG 46 - HD3 LYS 47 far 0 53 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 54 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 48 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 75 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 75 0 - 6.7-9.0 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 6.9-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.1-9.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 72 0 - 7.3-9.5 HB3 MET 74 - HD2 LYS 47 far 0 53 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 52 0 - 8.3-11.4 HB2 GLU 17 - HB3 ARG 91 far 0 47 0 - 8.7-11.0 HB3 ARG 19 - HD3 LYS 24 far 0 43 0 - 9.5-13.9 HB3 ARG 19 - HD2 LYS 24 far 0 45 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3286 from cnoeabs.peaks (1.49, 1.67, 28.90 ppm; 2.56 A): 9 out of 35 assignments used, quality = 1.00: HG2 LYS 73 + HD3 LYS 73 OK 94 100 100 94 2.5-3.0 3.0=65, 1.8/3278=10...(57) * HG2 LYS 73 + HD2 LYS 73 OK 94 100 100 94 2.3-3.0 3.0=65, 1.8/3278=10...(57) HG3 LYS 24 + HD2 LYS 24 OK 52 56 100 93 2.2-3.0 3.0=65, 1096/4.9=12...(41) HG2 LYS 47 + HD2 LYS 47 OK 52 54 100 95 2.3-3.0 3.0=64, 1.8/2174=12...(68) HB2 ARG 91 + HB3 ARG 91 OK 51 51 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 50 53 100 95 2.3-3.0 3.0=64, 1.8/2174=12...(68) HG3 LYS 24 + HD3 LYS 24 OK 50 53 100 93 2.6-3.0 3.0=65, 1096/4.9=12...(42) HG2 LYS 20 + HD3 LYS 20 OK 40 44 100 91 2.3-3.0 2.8=72, 3.0/2152=6...(60) HG2 LYS 20 + HD2 LYS 20 OK 38 42 100 91 2.4-2.6 2.8=72, 3.0/2152=6...(60) HG2 LYS 20 - HD3 LYS 24 far 0 33 0 - 6.6-11.6 HB3 LEU 103 - HB3 ARG 91 far 0 33 0 - 6.8-18.2 HG3 LYS 66 - HD2 LYS 73 far 0 100 0 - 7.3-12.3 HG3 LYS 24 - HD3 LYS 20 far 0 68 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 50 0 - 7.3-9.3 HB2 LEU 27 - HD3 LYS 24 far 0 33 0 - 7.5-10.8 HG2 LYS 20 - HD2 LYS 24 far 0 35 0 - 7.6-10.9 HB2 LEU 27 - HD2 LYS 24 far 0 35 0 - 8.0-11.5 HD2 LYS 40 - HD3 LYS 47 far 0 36 0 - 8.1-11.9 HG3 LYS 24 - HD2 LYS 20 far 0 66 0 - 8.2-11.1 HB2 LEU 38 - HD2 LYS 73 far 0 63 0 - 8.2-11.6 HD2 LYS 40 - HD2 LYS 47 far 0 37 0 - 8.7-11.7 HD3 LYS 40 - HD3 LYS 47 far 0 37 0 - 8.8-13.2 HG2 LYS 66 - HD2 LYS 73 far 0 100 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 71 0 - 8.9-11.3 HG3 LYS 66 - HD3 LYS 73 far 0 100 0 - 8.9-13.7 HB2 LEU 38 - HD3 LYS 73 far 0 63 0 - 9.0-11.6 HB2 LEU 14 - HD3 LYS 20 far 0 51 0 - 9.0-11.5 HB2 LEU 14 - HD2 LYS 20 far 0 49 0 - 9.1-11.1 HG LEU 38 - HD3 LYS 73 far 0 71 0 - 9.1-12.5 HG13 ILE 52 - HD3 LYS 47 far 0 29 0 - 9.3-13.4 HB2 LEU 14 - HB3 ARG 91 far 0 34 0 - 9.4-12.0 HD3 LYS 40 - HD2 LYS 47 far 0 38 0 - 9.5-13.1 HB ILE 7 - HD2 LYS 20 far 0 49 0 - 9.9-11.5 HG2 LYS 66 - HD3 LYS 73 far 0 100 0 - 9.9-13.7 HG3 LYS 13 - HD2 LYS 20 far 0 72 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3287 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.40 A): 6 out of 35 assignments used, quality = 1.00: HG3 LYS 73 + HD3 LYS 73 OK 89 100 100 89 2.4-3.0 3.0=54, 3278/1.8=9...(53) * HG3 LYS 73 + HD2 LYS 73 OK 89 100 100 89 2.3-3.0 3.0=54, 3278/1.8=9...(52) HG2 LYS 24 + HD2 LYS 24 OK 52 59 100 89 2.2-3.0 3.0=54, 1091/1.8=9...(46) HG2 LYS 24 + HD3 LYS 24 OK 50 56 100 89 2.2-2.9 3.0=54, 1091/1.8=9...(47) HG3 LYS 47 + HD2 LYS 47 OK 38 41 100 91 2.3-3.0 3.0=53, 2175/1.8=9...(60) HG3 LYS 47 + HD3 LYS 47 OK 37 40 100 91 2.3-3.0 3.0=53, 2175/1.8=9...(60) HG2 ARG 19 - HD3 LYS 20 far 0 71 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 52 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 68 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 38 0 - 4.3-8.9 HG3 LYS 90 - HD3 LYS 20 far 0 70 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 48 0 - 5.2-8.3 HG3 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.6-9.0 HD2 LYS 94 - HD2 LYS 24 far 0 46 0 - 5.6-10.7 HD3 LYS 94 - HD3 LYS 24 far 0 60 0 - 5.8-12.1 HD2 LYS 94 - HD3 LYS 24 far 0 44 0 - 5.8-11.2 HD3 LYS 94 - HD2 LYS 24 far 0 63 0 - 5.9-11.7 HG LEU 27 - HD2 LYS 24 far 0 63 0 - 6.5-9.9 HG LEU 27 - HD3 LYS 24 far 0 60 0 - 6.8-9.5 HG3 LYS 90 - HD3 LYS 24 far 0 55 0 - 7.5-13.4 HD2 LYS 66 - HD2 LYS 73 far 0 100 0 - 8.2-12.0 HG3 LYS 12 - HD2 LYS 20 far 0 73 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 48 0 - 8.4-18.4 HB3 LEU 29 - HD2 LYS 20 far 0 73 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 71 0 - 8.5-10.7 HG3 LYS 90 - HD2 LYS 24 far 0 58 0 - 8.6-13.7 HG2 LYS 24 - HD2 LYS 20 far 0 69 0 - 8.7-11.2 HD2 LYS 66 - HD3 LYS 73 far 0 100 0 - 9.1-13.7 HB3 LEU 29 - HD3 LYS 20 far 0 76 0 - 9.2-10.9 HG LEU 103 - HB3 ARG 91 far 0 46 0 - 9.3-19.5 HD2 LYS 94 - HD3 LYS 20 far 0 57 0 - 9.4-13.3 HG3 LYS 12 - HD3 LYS 20 far 0 75 0 - 9.6-13.3 HD3 LYS 94 - HD3 LYS 20 far 0 76 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 54 0 - 9.8-13.6 HB3 LEU 29 - HD2 LYS 24 far 0 63 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3288 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 74 74 - 100 HD2 LYS 20 + HD2 LYS 20 OK 70 70 - 100 HD2 LYS 47 + HD2 LYS 47 OK 50 50 - 100 HD3 LYS 47 + HD3 LYS 47 OK 48 48 - 100 HB3 ARG 91 + HB3 ARG 91 OK 47 47 - 100 HD2 LYS 24 + HD2 LYS 24 OK 44 44 - 100 HD3 LYS 24 + HD3 LYS 24 OK 40 40 - 100 Peak 3289 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 73 73 - 100 HD2 LYS 20 + HD2 LYS 20 OK 69 69 - 100 HD2 LYS 47 + HD2 LYS 47 OK 49 49 - 100 HD3 LYS 47 + HD3 LYS 47 OK 47 47 - 100 HB3 ARG 91 + HB3 ARG 91 OK 46 46 - 100 HD2 LYS 24 + HD2 LYS 24 OK 41 41 - 100 HD3 LYS 24 + HD3 LYS 24 OK 38 38 - 100 Reference assignment not found: HD3 LYS 73 - HD2 LYS 73 Peak 3290 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.08 A): 16 out of 49 assignments used, quality = 1.00: * HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-2.6 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 59 59 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 59 59 100 100 2.6-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 57 57 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 57 57 100 100 2.6-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 42 42 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 42 42 100 100 2.9-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 41 41 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 41 41 100 100 2.9-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 39 39 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 38 38 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 38 38 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 36 36 100 100 2.2-3.0 3.0=100 HE2 LYS 94 - HB3 ARG 91 poor 18 33 55 - 2.8-9.1 HE2 LYS 94 - HD2 LYS 24 far 4 40 10 - 4.0-12.2 HE3 LYS 90 - HD2 LYS 20 far 3 66 5 - 4.4-9.9 HE2 LYS 94 - HD3 LYS 24 far 2 38 5 - 3.7-12.9 HE2 LYS 20 - HD3 LYS 24 far 0 29 0 - 4.6-10.4 HE3 LYS 20 - HD3 LYS 24 far 0 30 0 - 5.4-11.7 HE3 LYS 90 - HD3 LYS 20 far 0 69 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 47 0 - 5.7-9.5 HE2 LYS 20 - HD2 LYS 24 far 0 30 0 - 6.0-11.5 HG2 MET 21 - HB3 ARG 91 far 0 49 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 69 0 - 6.4-9.7 HG2 MET 21 - HD3 LYS 20 far 0 72 0 - 6.6-9.1 HE3 LYS 20 - HD2 LYS 24 far 0 31 0 - 6.7-12.9 HG2 MET 21 - HD3 LYS 24 far 0 57 0 - 6.7-10.4 HG2 MET 21 - HD2 LYS 24 far 0 59 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 32 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 47 0 - 7.0-9.9 HE2 LYS 24 - HD3 LYS 20 far 0 72 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 48 0 - 7.7-10.4 HB2 PHE 45 - HD2 LYS 47 far 0 33 0 - 7.9-10.2 HE3 LYS 90 - HD3 LYS 24 far 0 54 0 - 8.4-14.7 HE2 LYS 24 - HD2 LYS 20 far 0 69 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 74 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 72 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 72 0 - 9.2-12.0 HE2 LYS 94 - HD2 LYS 20 far 0 48 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 50 0 - 9.4-14.0 HE3 LYS 24 - HD2 LYS 20 far 0 69 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 67 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 57 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 49 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 71 0 - 9.7-12.4 HE2 LYS 13 - HD3 LYS 20 far 0 73 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3291 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.08 A): 16 out of 53 assignments used, quality = 1.00: * HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-2.6 3.0=100 HE3 LYS 24 + HD2 LYS 24 OK 56 56 100 100 2.2-3.0 3.0=100 HE2 LYS 24 + HD2 LYS 24 OK 56 56 100 100 2.6-3.0 3.0=100 HE2 LYS 24 + HD3 LYS 24 OK 53 53 100 100 2.2-3.0 3.0=100 HE3 LYS 24 + HD3 LYS 24 OK 53 53 100 100 2.6-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 47 47 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 45 45 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 45 45 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 43 43 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 37 37 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 37 37 100 100 2.9-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 36 36 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 36 36 100 100 2.9-3.0 3.0=100 HE3 LYS 94 - HB3 ARG 91 poor 14 29 50 - 2.9-8.3 HE2 LYS 94 - HB3 ARG 91 poor 6 38 55 29 2.8-9.1 3.9/1820=4, 3.9/1820=3...(11) HE2 LYS 94 - HD2 LYS 24 far 5 46 10 - 4.0-12.2 HE3 LYS 90 - HD2 LYS 20 far 4 70 5 - 4.4-9.9 HE2 LYS 94 - HD3 LYS 24 far 2 44 5 - 3.7-12.9 HE2 LYS 20 - HD3 LYS 24 far 0 35 0 - 4.6-10.4 HE3 LYS 94 - HD3 LYS 24 far 0 33 0 - 5.0-13.8 HE3 LYS 20 - HD3 LYS 24 far 0 36 0 - 5.4-11.7 HE3 LYS 94 - HD2 LYS 24 far 0 35 0 - 5.5-13.1 HE3 LYS 90 - HD3 LYS 20 far 0 73 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 50 0 - 5.7-9.5 HE2 LYS 20 - HD2 LYS 24 far 0 36 0 - 6.0-11.5 HG2 MET 21 - HB3 ARG 91 far 0 51 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 72 0 - 6.4-9.7 HG2 MET 21 - HD3 LYS 20 far 0 75 0 - 6.6-9.1 HE3 LYS 20 - HD2 LYS 24 far 0 38 0 - 6.7-12.9 HG2 MET 21 - HD3 LYS 24 far 0 59 0 - 6.7-10.4 HG2 MET 21 - HD2 LYS 24 far 0 62 0 - 6.8-10.6 HB2 PHE 45 - HD3 LYS 47 far 0 27 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 43 0 - 7.0-9.9 HE2 LYS 24 - HD3 LYS 20 far 0 68 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 44 0 - 7.7-10.4 HB2 PHE 45 - HD2 LYS 47 far 0 28 0 - 7.9-10.2 HE3 LYS 90 - HD3 LYS 24 far 0 57 0 - 8.4-14.7 HE2 LYS 24 - HD2 LYS 20 far 0 66 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 71 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 68 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 69 0 - 9.2-12.0 HE2 LYS 94 - HD2 LYS 20 far 0 54 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 57 0 - 9.4-14.0 HE3 LYS 24 - HD2 LYS 20 far 0 66 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 63 0 - 9.5-14.2 HE3 LYS 90 - HD2 LYS 24 far 0 60 0 - 9.6-15.2 HE3 LYS 24 - HB3 ARG 91 far 0 46 0 - 9.6-16.1 HE3 LYS 94 - HD3 LYS 20 far 0 44 0 - 9.7-14.2 HE2 LYS 13 - HD2 LYS 20 far 0 67 0 - 9.7-12.4 HE2 LYS 13 - HD3 LYS 20 far 0 70 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3292 from cnoeabs.peaks (7.75, 1.67, 28.90 ppm; 5.30 A): 4 out of 8 assignments used, quality = 1.00: * H MET 74 + HD2 LYS 73 OK 100 100 100 100 5.4-5.9 7220/3.0=74, 7219/3.0=73...(12) H MET 74 + HD3 LYS 73 OK 100 100 100 100 5.4-6.1 7220/3.0=74, 7219/3.0=73...(11) H ALA 25 + HD2 LYS 24 OK 33 34 100 98 3.2-5.9 6402/3.0=42, 6397/6.3=28...(15) H ALA 25 + HD3 LYS 24 OK 31 32 100 97 3.2-5.8 6402/3.0=42, 6397/6.3=28...(15) H SER 49 - HD3 LYS 47 far 2 43 5 - 6.6-8.9 H SER 49 - HD2 LYS 47 far 0 44 0 - 7.5-9.1 H ALA 25 - HD3 LYS 20 far 0 42 0 - 9.3-10.8 H ALA 25 - HD2 LYS 20 far 0 40 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 3293 from cnoeabs.peaks (7.84, 1.67, 28.90 ppm; 4.23 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.4-4.9 7208/3.0=75, 7207/3.0=68...(38) H LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.2-4.6 7208/3.0=75, 7207/3.0=68...(40) H TYR 41 - HD2 LYS 47 far 0 44 0 - 9.5-12.6 H TYR 41 - HD3 LYS 47 far 0 43 0 - 9.5-12.5 H LYS 66 - HD2 LYS 73 far 0 59 0 - 9.6-12.2 H LYS 66 - HD3 LYS 73 far 0 59 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 3294 from cnoeabs.peaks (4.17, 1.67, 28.90 ppm; 3.87 A): 4 out of 11 assignments used, quality = 1.00: * HA LYS 73 + HD3 LYS 73 OK 100 100 100 100 4.1-4.9 3231/3.0=43, 3232/3.0=43...(79) HA LYS 73 + HD2 LYS 73 OK 100 100 100 100 4.1-4.9 3231/3.0=43, 3232/3.0=43...(75) HA LYS 47 + HD2 LYS 47 OK 35 35 100 100 3.9-4.9 5.1=44, 2126/3.0=33...(102) HA LYS 47 + HD3 LYS 47 OK 34 34 100 100 4.4-5.0 5.1=44, 2126/3.0=33...(102) HA LYS 13 - HD2 LYS 20 far 0 62 0 - 6.4-8.5 HA LYS 13 - HD3 LYS 20 far 0 66 0 - 6.4-9.6 HB3 SER 85 - HB3 ARG 91 far 0 42 0 - 7.3-10.7 HA GLN 72 - HD3 LYS 73 far 0 95 0 - 7.6-8.1 HA GLN 72 - HD2 LYS 73 far 0 95 0 - 7.6-7.9 HA GLU 23 - HD2 LYS 20 far 0 54 0 - 9.0-10.4 HA GLU 23 - HD3 LYS 20 far 0 57 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 3295 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 10 out of 29 assignments used, quality = 1.00: * HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=61, 3.0/3294=13...(131) HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=61, 3.0/3294=13...(128) HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.9-3.3 3.6=61, 3.0/3294=13...(132) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.4-3.4 3.6=61, 3.0/3294=13...(128) HB3 LYS 20 + HD3 LYS 20 OK 58 59 100 98 2.7-4.1 3.5=64, 871/5.9=11...(74) HB3 LYS 20 + HD2 LYS 20 OK 55 56 100 98 3.3-4.1 3.5=64, 871/5.9=11...(74) HB2 LYS 47 + HD2 LYS 47 OK 48 49 100 99 2.6-3.9 3.9=46, 2134/6774=14...(108) HB2 LYS 47 + HD3 LYS 47 OK 47 48 100 99 2.2-3.7 3.9=46, 2134/6774=14...(108) HB3 LYS 47 + HD2 LYS 47 OK 30 30 100 99 2.5-3.9 3.9=46, 4.0/6774=12...(118) HB3 LYS 47 + HD3 LYS 47 OK 29 29 100 99 2.1-3.8 3.9=46, 4.0/6774=12...(118) HB3 ARG 19 - HD2 LYS 20 poor 12 50 25 - 3.8-7.2 HB2 GLU 17 - HD2 LYS 20 far 10 63 15 - 3.4-6.6 HB2 GLU 17 - HD3 LYS 20 far 3 67 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 1 27 5 - 4.5-7.7 HB3 ARG 19 - HD3 LYS 20 far 0 53 0 - 5.1-7.3 HB2 ARG 46 - HD2 LYS 47 far 0 45 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 44 0 - 5.5-8.2 HB3 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 52 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 45 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 73 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 73 0 - 6.7-9.0 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 6.9-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.1-9.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.3-9.5 HB3 MET 74 - HD2 LYS 47 far 0 51 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 50 0 - 8.3-11.4 HB2 GLU 17 - HB3 ARG 91 far 0 44 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 3296 from cnoeabs.peaks (1.96, 1.67, 28.90 ppm; 3.05 A): 10 out of 29 assignments used, quality = 1.00: HB2 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.8-3.8 3.6=61, 3.0/3294=13...(131) * HB3 LYS 73 + HD3 LYS 73 OK 99 100 100 99 2.1-3.6 3.6=61, 3.0/3294=13...(128) HB2 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.9-3.3 3.6=61, 3.0/3294=13...(132) HB3 LYS 73 + HD2 LYS 73 OK 99 100 100 99 2.4-3.4 3.6=61, 3.0/3294=13...(128) HB3 LYS 20 + HD3 LYS 20 OK 59 60 100 98 2.7-4.1 3.5=64, 871/5.9=12...(74) HB3 LYS 20 + HD2 LYS 20 OK 56 57 100 98 3.3-4.1 3.5=64, 871/5.9=12...(74) HB2 LYS 47 + HD2 LYS 47 OK 48 48 100 99 2.6-3.9 3.9=46, 2134/6774=14...(108) HB2 LYS 47 + HD3 LYS 47 OK 47 47 100 99 2.2-3.7 3.9=46, 2134/6774=14...(108) HB3 LYS 47 + HD2 LYS 47 OK 31 31 100 99 2.5-3.9 3.9=46, 4.0/6774=12...(118) HB3 LYS 47 + HD3 LYS 47 OK 30 30 100 99 2.1-3.8 3.9=46, 4.0/6774=12...(118) HB3 ARG 19 - HD2 LYS 20 poor 13 51 25 - 3.8-7.2 HB2 GLU 17 - HD2 LYS 20 far 10 64 15 - 3.4-6.6 HB2 GLU 17 - HD3 LYS 20 far 3 67 5 - 4.4-6.7 HB2 LYS 94 - HB3 ARG 91 far 1 28 5 - 4.5-7.7 HB3 ARG 19 - HD3 LYS 20 far 0 54 0 - 5.1-7.3 HB2 ARG 46 - HD2 LYS 47 far 0 44 0 - 5.4-8.8 HB2 ARG 46 - HD3 LYS 47 far 0 43 0 - 5.5-8.2 HB3 ARG 46 - HD3 LYS 47 far 0 50 0 - 5.7-7.9 HB3 ARG 46 - HD2 LYS 47 far 0 51 0 - 6.1-8.2 HG3 GLU 88 - HB3 ARG 91 far 0 46 0 - 6.4-8.2 HB2 LYS 24 - HD3 LYS 20 far 0 73 0 - 6.6-9.0 HB3 LYS 24 - HD3 LYS 20 far 0 73 0 - 6.7-9.0 HB3 MET 74 - HD3 LYS 73 far 0 100 0 - 6.9-9.2 HB2 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.1-9.1 HB3 MET 74 - HD2 LYS 73 far 0 100 0 - 7.2-8.8 HB3 LYS 24 - HD2 LYS 20 far 0 70 0 - 7.3-9.5 HB3 MET 74 - HD2 LYS 47 far 0 51 0 - 7.9-12.1 HB3 MET 74 - HD3 LYS 47 far 0 50 0 - 8.3-11.4 HB2 GLU 17 - HB3 ARG 91 far 0 45 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 3297 from cnoeabs.peaks (1.49, 1.67, 28.90 ppm; 2.56 A): 7 out of 29 assignments used, quality = 1.00: * HG2 LYS 73 + HD3 LYS 73 OK 94 100 100 94 2.5-3.0 3.0=65, 1.8/3278=10...(57) HG2 LYS 73 + HD2 LYS 73 OK 94 100 100 94 2.3-3.0 3.0=65, 1.8/3278=10...(57) HG2 LYS 47 + HD2 LYS 47 OK 49 52 100 95 2.3-3.0 3.0=64, 1.8/2174=12...(68) HB2 ARG 91 + HB3 ARG 91 OK 49 49 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 48 50 100 95 2.3-3.0 3.0=64, 1.8/2174=12...(68) HG2 LYS 20 + HD3 LYS 20 OK 39 43 100 91 2.3-3.0 2.8=72, 3.0/2152=6...(60) HG2 LYS 20 + HD2 LYS 20 OK 37 40 100 91 2.4-2.6 2.8=72, 3.0/2152=6...(60) HB3 LEU 103 - HB3 ARG 91 far 0 31 0 - 6.8-18.2 HG3 LYS 66 - HD2 LYS 73 far 0 100 0 - 7.3-12.3 HG3 LYS 24 - HD3 LYS 20 far 0 67 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 48 0 - 7.3-9.3 HD2 LYS 40 - HD3 LYS 47 far 0 34 0 - 8.1-11.9 HG3 LYS 24 - HD2 LYS 20 far 0 63 0 - 8.2-11.1 HB2 LEU 38 - HD2 LYS 73 far 0 63 0 - 8.2-11.6 HD2 LYS 40 - HD2 LYS 47 far 0 35 0 - 8.7-11.7 HD3 LYS 40 - HD3 LYS 47 far 0 35 0 - 8.8-13.2 HG2 LYS 66 - HD2 LYS 73 far 0 100 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 71 0 - 8.9-11.3 HG3 LYS 66 - HD3 LYS 73 far 0 100 0 - 8.9-13.7 HB2 LEU 38 - HD3 LYS 73 far 0 63 0 - 9.0-11.6 HB2 LEU 14 - HD3 LYS 20 far 0 50 0 - 9.0-11.5 HB2 LEU 14 - HD2 LYS 20 far 0 47 0 - 9.1-11.1 HG LEU 38 - HD3 LYS 73 far 0 71 0 - 9.1-12.5 HG13 ILE 52 - HD3 LYS 47 far 0 28 0 - 9.3-13.4 HB2 LEU 14 - HB3 ARG 91 far 0 32 0 - 9.4-12.0 HD3 LYS 40 - HD2 LYS 47 far 0 36 0 - 9.5-13.1 HB ILE 7 - HD2 LYS 20 far 0 47 0 - 9.9-11.5 HG2 LYS 66 - HD3 LYS 73 far 0 100 0 - 9.9-13.7 HG3 LYS 13 - HD2 LYS 20 far 0 70 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3298 from cnoeabs.peaks (1.60, 1.67, 28.90 ppm; 2.40 A): 4 out of 24 assignments used, quality = 1.00: * HG3 LYS 73 + HD3 LYS 73 OK 89 100 100 89 2.4-3.0 3.0=54, 3278/1.8=9...(53) HG3 LYS 73 + HD2 LYS 73 OK 89 100 100 89 2.3-3.0 3.0=54, 3278/1.8=9...(52) HG3 LYS 47 + HD2 LYS 47 OK 36 39 100 91 2.3-3.0 3.0=53, 2175/1.8=9...(59) HG3 LYS 47 + HD3 LYS 47 OK 35 38 100 91 2.3-3.0 3.0=53, 2175/1.8=9...(60) HG2 ARG 19 - HD3 LYS 20 far 0 69 0 - 3.9-9.2 HD3 LYS 94 - HB3 ARG 91 far 0 50 0 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 0 66 0 - 4.1-8.9 HD2 LYS 94 - HB3 ARG 91 far 0 36 0 - 4.3-8.9 HG3 LYS 90 - HD3 LYS 20 far 0 68 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 45 0 - 5.2-8.3 HG3 LYS 90 - HD2 LYS 20 far 0 65 0 - 5.6-9.0 HD2 LYS 66 - HD2 LYS 73 far 0 100 0 - 8.2-12.0 HG3 LYS 12 - HD2 LYS 20 far 0 70 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 46 0 - 8.4-18.4 HB3 LEU 29 - HD2 LYS 20 far 0 71 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 70 0 - 8.5-10.7 HG2 LYS 24 - HD2 LYS 20 far 0 67 0 - 8.7-11.2 HD2 LYS 66 - HD3 LYS 73 far 0 100 0 - 9.1-13.7 HB3 LEU 29 - HD3 LYS 20 far 0 74 0 - 9.2-10.9 HG LEU 103 - HB3 ARG 91 far 0 44 0 - 9.3-19.5 HD2 LYS 94 - HD3 LYS 20 far 0 55 0 - 9.4-13.3 HG3 LYS 12 - HD3 LYS 20 far 0 74 0 - 9.6-13.3 HD3 LYS 94 - HD3 LYS 20 far 0 74 0 - 9.8-12.3 HD2 LYS 94 - HD2 LYS 20 far 0 52 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 3299 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: 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 73 73 - 100 HD2 LYS 20 + HD2 LYS 20 OK 68 68 - 100 HD2 LYS 47 + HD2 LYS 47 OK 48 48 - 100 HD3 LYS 47 + HD3 LYS 47 OK 46 46 - 100 HB3 ARG 91 + HB3 ARG 91 OK 45 45 - 100 Reference assignment not found: HD2 LYS 73 - HD3 LYS 73 Peak 3300 from cnoeabs.peaks (1.67, 1.67, 28.90 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * 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 72 72 - 100 HD2 LYS 20 + HD2 LYS 20 OK 67 67 - 100 HD2 LYS 47 + HD2 LYS 47 OK 46 46 - 100 HD3 LYS 47 + HD3 LYS 47 OK 45 45 - 100 HB3 ARG 91 + HB3 ARG 91 OK 43 43 - 100 Peak 3301 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.08 A): 12 out of 35 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-2.6 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 40 40 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 40 40 100 100 2.9-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 39 39 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 39 39 100 100 2.9-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 38 38 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 37 37 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 36 36 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 35 35 100 100 2.2-3.0 3.0=100 HE2 LYS 94 - HB3 ARG 91 poor 17 31 55 - 2.8-9.1 HE3 LYS 90 - HD2 LYS 20 far 3 64 5 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 20 far 0 67 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 45 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 47 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.4-9.7 HG2 MET 21 - HD3 LYS 20 far 0 70 0 - 6.6-9.1 HB2 PHE 45 - HD3 LYS 47 far 0 30 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 45 0 - 7.0-9.9 HE2 LYS 24 - HD3 LYS 20 far 0 70 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 46 0 - 7.7-10.4 HB2 PHE 45 - HD2 LYS 47 far 0 31 0 - 7.9-10.2 HE2 LYS 24 - HD2 LYS 20 far 0 67 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 73 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 70 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 69 0 - 9.2-12.0 HE2 LYS 94 - HD2 LYS 20 far 0 46 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 48 0 - 9.4-14.0 HE3 LYS 24 - HD2 LYS 20 far 0 67 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 65 0 - 9.5-14.2 HE3 LYS 24 - HB3 ARG 91 far 0 47 0 - 9.6-16.1 HE2 LYS 13 - HD2 LYS 20 far 0 68 0 - 9.7-12.4 HE2 LYS 13 - HD3 LYS 20 far 0 72 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3302 from cnoeabs.peaks (2.95, 1.67, 28.90 ppm; 3.08 A): 12 out of 37 assignments used, quality = 1.00: * HE3 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE3 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.3-2.9 3.0=100 HE2 LYS 73 + HD3 LYS 73 OK 100 100 100 100 2.2-2.6 3.0=100 HE2 LYS 73 + HD2 LYS 73 OK 100 100 100 100 2.7-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 45 45 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 44 44 100 100 2.3-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 43 43 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 42 42 100 100 2.2-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 35 35 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 35 35 100 100 2.9-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 34 34 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 34 34 100 100 2.9-3.0 3.0=100 HE2 LYS 94 - HB3 ARG 91 poor 20 36 55 - 2.8-9.1 HE3 LYS 94 - HB3 ARG 91 poor 14 27 50 - 2.9-8.3 HE3 LYS 90 - HD2 LYS 20 far 3 68 5 - 4.4-9.9 HE3 LYS 90 - HD3 LYS 20 far 0 71 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 47 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 49 0 - 6.2-8.9 HG2 MET 21 - HD2 LYS 20 far 0 70 0 - 6.4-9.7 HG2 MET 21 - HD3 LYS 20 far 0 73 0 - 6.6-9.1 HB2 PHE 45 - HD3 LYS 47 far 0 26 0 - 6.9-10.1 HB3 PHE 45 - HD3 LYS 47 far 0 41 0 - 7.0-9.9 HE2 LYS 24 - HD3 LYS 20 far 0 67 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 42 0 - 7.7-10.4 HB2 PHE 45 - HD2 LYS 47 far 0 26 0 - 7.9-10.2 HE2 LYS 24 - HD2 LYS 20 far 0 63 0 - 8.7-13.2 HE3 LYS 13 - HD3 LYS 20 far 0 70 0 - 9.0-13.2 HE3 LYS 24 - HD3 LYS 20 far 0 67 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 67 0 - 9.2-12.0 HE2 LYS 94 - HD2 LYS 20 far 0 52 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 55 0 - 9.4-14.0 HE3 LYS 24 - HD2 LYS 20 far 0 63 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 61 0 - 9.5-14.2 HE3 LYS 24 - HB3 ARG 91 far 0 44 0 - 9.6-16.1 HE3 LYS 94 - HD3 LYS 20 far 0 43 0 - 9.7-14.2 HE2 LYS 13 - HD2 LYS 20 far 0 65 0 - 9.7-12.4 HE2 LYS 13 - HD3 LYS 20 far 0 68 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3303 from cnoeabs.peaks (7.75, 1.67, 28.90 ppm; 5.30 A): 2 out of 6 assignments used, quality = 1.00: H MET 74 + HD2 LYS 73 OK 100 100 100 100 5.4-5.9 7220/3.0=74, 7219/3.0=73...(12) * H MET 74 + HD3 LYS 73 OK 100 100 100 100 5.4-6.1 7220/3.0=74, 7219/3.0=73...(11) H SER 49 - HD3 LYS 47 far 2 41 5 - 6.6-8.9 H SER 49 - HD2 LYS 47 far 0 42 0 - 7.5-9.1 H ALA 25 - HD3 LYS 20 far 0 41 0 - 9.3-10.8 H ALA 25 - HD2 LYS 20 far 0 39 0 - 9.5-10.9 Violated in 2 structures by 0.00 A. Peak 3305 from cnoeabs.peaks (4.17, 2.95, 41.80 ppm; 4.20 A): 7 out of 17 assignments used, quality = 1.00: * HA LYS 73 + HE2 LYS 73 OK 99 100 100 99 4.4-5.5 3232/4.0=39, 3231/4.0=38...(66) HA LYS 73 + HE3 LYS 73 OK 99 100 100 99 4.4-5.4 3232/4.0=39, 3231/4.0=38...(65) HA LYS 13 + HE3 LYS 13 OK 92 93 100 100 4.4-5.4 486/3.8=58, 518/3.8=49...(54) HA LYS 47 + HE2 LYS 47 OK 54 54 100 100 4.2-5.2 2127/3.8=31, 2126/3.8=31...(83) HA LYS 47 + HE3 LYS 47 OK 54 54 100 100 4.2-5.5 2127/3.8=31, 2126/3.8=31...(83) HA LYS 13 + HE2 LYS 13 OK 36 91 40 100 4.7-6.4 486/3.8=58, 518/3.8=49...(55) HB3 SER 85 + HE2 LYS 13 OK 24 89 70 38 4.3-7.8 9875/2.9=11, 9875/2.9=11...(8) HB3 SER 85 - HE3 LYS 13 far 0 91 0 - 5.8-9.4 HA LYS 13 - HE3 LYS 12 far 0 85 0 - 5.9-8.7 HB3 SER 85 - HE3 LYS 90 far 0 81 0 - 6.0-10.2 HA LYS 13 - HE3 LYS 90 far 0 83 0 - 6.6-11.3 HA GLN 72 - HE3 LYS 73 far 0 94 0 - 7.4-8.6 HA GLN 72 - HE2 LYS 73 far 0 95 0 - 7.6-9.2 HA GLU 23 - HE2 LYS 24 far 0 79 0 - 8.3-9.4 HA GLU 23 - HE3 LYS 24 far 0 79 0 - 8.4-9.8 HA GLU 98 - HE3 LYS 24 far 0 90 0 - 9.3-14.0 HB2 SER 59 - HE2 LYS 13 far 0 94 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 3306 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.35 A): 13 out of 36 assignments used, quality = 1.00: HB3 LYS 73 + HE2 LYS 73 OK 99 100 100 99 3.6-4.1 4.9=32, 4.1/7211=9...(117) HB2 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.2-4.7 4.9=32, 4.1/7211=9...(117) HB3 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.5-4.5 4.9=32, 4.1/7211=9...(117) HB2 LYS 24 + HE3 LYS 24 OK 94 96 100 98 3.0-4.7 4.9=31, ~12306=12...(100) HB2 LYS 24 + HE2 LYS 24 OK 90 96 95 98 2.5-5.1 4.9=31, ~12306=10...(101) HB3 LYS 24 + HE2 LYS 24 OK 90 96 95 98 2.6-5.2 4.9=31, ~12306=10...(101) * HB2 LYS 73 + HE2 LYS 73 OK 89 100 90 99 2.7-4.9 4.9=32, 4.1/7211=9...(117) HB3 LYS 24 + HE3 LYS 24 OK 80 96 85 98 2.7-5.2 4.9=31, ~12306=12...(100) HB2 LYS 47 + HE2 LYS 47 OK 71 72 100 99 2.2-4.6 4.9=33, 2134/6.6=13...(110) HB2 LYS 47 + HE3 LYS 47 OK 71 72 100 99 2.0-4.3 4.9=33, 2134/6.6=13...(110) HB2 GLU 17 + HE3 LYS 90 OK 55 84 85 77 2.1-6.1 12027/3.8=24...(22) HB3 LYS 47 + HE2 LYS 47 OK 46 47 100 99 2.0-3.5 4.9=33, 3.0/2177=10...(117) HB3 LYS 47 + HE3 LYS 47 OK 46 47 100 99 2.1-4.4 4.9=33, 3.0/2177=10...(117) HB2 ARG 46 - HE3 LYS 47 far 3 67 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 3 67 5 - 4.4-9.5 HB2 LYS 94 - HE3 LYS 24 far 3 61 5 - 4.0-12.3 HB2 LYS 94 - HE2 LYS 24 far 0 61 0 - 5.3-12.1 HB3 ARG 46 - HE3 LYS 47 far 0 76 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 82 0 - 5.5-9.2 HB3 ARG 46 - HE2 LYS 47 far 0 76 0 - 5.6-9.1 HB2 GLU 17 - HE2 LYS 13 far 0 92 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 93 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 82 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 99 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 76 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 100 0 - 7.1-10.5 HB2 LYS 94 - HE3 LYS 90 far 0 57 0 - 7.4-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 86 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 94 0 - 8.2-11.9 HB3 ARG 19 - HE3 LYS 12 far 0 70 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 91 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 69 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 95 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 75 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 75 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 90 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 3307 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.35 A): 13 out of 37 assignments used, quality = 1.00: * HB3 LYS 73 + HE2 LYS 73 OK 99 100 100 99 3.6-4.1 4.9=32, 4.1/7211=9...(117) HB3 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.5-4.5 4.9=32, 4.1/7211=9...(117) HB2 LYS 73 + HE3 LYS 73 OK 99 100 100 99 2.2-4.7 4.9=32, 4.1/7211=9...(117) HB2 LYS 24 + HE3 LYS 24 OK 94 96 100 98 3.0-4.7 4.9=31, ~12306=12...(100) HB2 LYS 24 + HE2 LYS 24 OK 89 96 95 98 2.5-5.1 4.9=31, ~12306=10...(101) HB3 LYS 24 + HE2 LYS 24 OK 89 96 95 98 2.6-5.2 4.9=31, ~12306=10...(101) HB2 LYS 73 + HE2 LYS 73 OK 89 100 90 99 2.7-4.9 4.9=32, 4.1/7211=9...(117) HB3 LYS 24 + HE3 LYS 24 OK 80 96 85 98 2.7-5.2 4.9=31, ~12306=12...(100) HB2 LYS 47 + HE2 LYS 47 OK 71 72 100 99 2.2-4.6 4.9=33, 2134/6.6=12...(110) HB2 LYS 47 + HE3 LYS 47 OK 71 72 100 99 2.0-4.3 4.9=33, 2134/6.6=12...(110) HB2 GLU 17 + HE3 LYS 90 OK 56 85 85 77 2.1-6.1 12027/3.8=24...(22) HB3 LYS 47 + HE2 LYS 47 OK 48 48 100 99 2.0-3.5 4.9=33, 3.0/2176=10...(117) HB3 LYS 47 + HE3 LYS 47 OK 48 48 100 99 2.1-4.4 4.9=33, 3.0/2176=10...(117) HB2 ARG 46 - HE3 LYS 47 far 3 66 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 3 66 5 - 4.4-9.5 HB2 LYS 94 - HE3 LYS 24 far 3 63 5 - 4.0-12.3 HB2 LYS 94 - HE2 LYS 24 far 0 63 0 - 5.3-12.1 HB3 ARG 46 - HE3 LYS 47 far 0 76 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 83 0 - 5.5-9.2 HB3 ARG 46 - HE2 LYS 47 far 0 76 0 - 5.6-9.1 HB2 GLU 17 - HE2 LYS 13 far 0 93 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 94 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 83 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 99 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 78 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 100 0 - 7.1-10.5 HB2 LYS 94 - HE3 LYS 90 far 0 58 0 - 7.4-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 87 0 - 7.9-10.7 HG3 GLU 88 - HE2 LYS 13 far 0 94 0 - 8.2-11.9 HB2 LYS 33 - HE3 LYS 12 far 0 51 0 - 8.6-14.1 HB3 ARG 19 - HE3 LYS 12 far 0 72 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 91 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 70 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 96 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 75 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 75 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 91 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 3308 from cnoeabs.peaks (1.49, 2.95, 41.80 ppm; 3.07 A): 8 out of 38 assignments used, quality = 1.00: * HG2 LYS 73 + HE2 LYS 73 OK 98 100 100 98 2.1-4.0 4.0=45, 3297/3.0=13...(93) HG2 LYS 73 + HE3 LYS 73 OK 97 100 100 98 2.2-3.7 4.0=45, 3297/3.0=13...(98) HG3 LYS 13 + HE3 LYS 13 OK 92 99 100 94 2.0-3.6 3.8=52, 486/6.0=13...(70) HG3 LYS 13 + HE2 LYS 13 OK 91 98 100 94 2.1-3.6 3.8=52, 486/6.0=13...(70) HG3 LYS 24 + HE2 LYS 24 OK 88 90 100 98 2.0-3.9 3.7=56, 1096/6.2=11...(96) HG3 LYS 24 + HE3 LYS 24 OK 88 90 100 98 2.2-3.9 3.7=56, 1096/6.2=11...(95) HG2 LYS 47 + HE2 LYS 47 OK 75 76 100 98 2.4-4.0 3.8=54, 1.8/2176=11...(102) HG2 LYS 47 + HE3 LYS 47 OK 75 76 100 98 2.3-3.8 3.8=54, 1.8/2176=11...(102) HB2 LEU 14 - HE2 LYS 13 poor 18 73 50 50 4.4-6.0 3.8/6196=7, 245/3.8=6...(25) HB2 LEU 14 - HE3 LYS 13 far 0 74 0 - 4.7-7.1 HB2 LEU 14 - HE3 LYS 90 far 0 65 0 - 4.9-9.9 HB2 ARG 91 - HE3 LYS 90 far 0 91 0 - 5.4-8.6 HG2 LYS 20 - HE3 LYS 90 far 0 57 0 - 5.6-10.2 HB2 LEU 38 - HE2 LYS 73 far 0 63 0 - 7.1-13.1 HG2 LYS 20 - HE2 LYS 24 far 0 61 0 - 7.4-11.4 HG2 LYS 20 - HE3 LYS 24 far 0 61 0 - 7.4-11.2 HG LEU 38 - HE2 LYS 73 far 0 71 0 - 7.6-14.2 HG3 LYS 13 - HE3 LYS 90 far 0 91 0 - 7.9-12.9 HD3 LYS 40 - HE2 LYS 47 far 0 55 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 55 0 - 8.1-14.8 HG3 LYS 66 - HE3 LYS 73 far 0 100 0 - 8.1-13.3 HB2 LEU 38 - HE3 LYS 73 far 0 62 0 - 8.4-12.3 HG3 LYS 13 - HE3 LYS 12 far 0 93 0 - 8.6-10.0 HB2 LEU 27 - HE2 LYS 24 far 0 61 0 - 8.8-12.0 HG3 LYS 33 - HE3 LYS 12 far 0 89 0 - 9.0-14.0 HG LEU 57 - HE3 LYS 90 far 0 90 0 - 9.1-10.7 HG LEU 38 - HE3 LYS 73 far 0 70 0 - 9.2-13.0 HG13 ILE 52 - HE2 LYS 47 far 0 44 0 - 9.2-12.7 HG3 LYS 24 - HE3 LYS 90 far 0 84 0 - 9.2-13.2 HB2 LEU 27 - HE3 LYS 24 far 0 61 0 - 9.4-12.1 HG2 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 67 0 - 9.4-13.6 HD2 LYS 40 - HE2 LYS 47 far 0 54 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 54 0 - 9.6-13.6 HG LEU 2 - HE2 LYS 47 far 0 61 0 - 9.6-13.8 HG3 LYS 66 - HE2 LYS 73 far 0 100 0 - 9.7-14.7 HG13 ILE 52 - HE3 LYS 47 far 0 44 0 - 9.9-13.5 HB ILE 7 - HE3 LYS 90 far 0 65 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 3309 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.82 A): 8 out of 27 assignments used, quality = 1.00: * HG3 LYS 73 + HE2 LYS 73 OK 93 100 100 93 2.1-3.8 4.0=35, 3298/3.0=18...(66) HG3 LYS 73 + HE3 LYS 73 OK 92 100 100 93 2.0-3.2 4.0=35, 3298/3.0=18...(66) HG2 LYS 24 + HE3 LYS 24 OK 86 93 100 93 2.0-4.2 3.7=43, 1121/3.0=9...(71) HG2 LYS 24 + HE2 LYS 24 OK 86 93 100 93 2.0-4.1 3.7=43, 1121/3.0=9...(71) HG3 LYS 12 + HE3 LYS 12 OK 82 93 100 88 2.2-4.1 4.0=36, ~463=28, ~423=14...(36) HG3 LYS 90 + HE3 LYS 90 OK 72 86 100 84 2.0-3.1 3.8=41, 1.8/4005=35...(15) HG3 LYS 47 + HE2 LYS 47 OK 56 59 100 94 2.4-4.0 3.8=42, 2177/1.8=9...(67) HG3 LYS 47 + HE3 LYS 47 OK 56 59 100 94 2.4-3.8 3.8=42, 2177/1.8=9...(67) HD3 LYS 94 - HE3 LYS 24 far 5 97 5 - 4.0-11.5 HD2 LYS 94 - HE3 LYS 24 far 0 77 0 - 4.9-10.8 HD3 LYS 94 - HE3 LYS 90 far 0 92 0 - 5.0-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 97 0 - 5.0-12.0 HD2 LYS 94 - HE3 LYS 90 far 0 72 0 - 5.5-11.9 HD2 LYS 94 - HE2 LYS 24 far 0 77 0 - 5.6-11.2 HG3 LYS 12 - HE3 LYS 13 far 0 99 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 94 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 95 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 97 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 97 0 - 7.8-10.8 HG3 LYS 12 - HE2 LYS 13 far 0 98 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 92 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 100 0 - 8.3-12.7 HG2 ARG 19 - HE3 LYS 90 far 0 87 0 - 8.4-14.0 HG3 LYS 90 - HE3 LYS 24 far 0 92 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 89 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 100 0 - 9.1-14.3 HG2 LYS 24 - HE3 LYS 90 far 0 88 0 - 9.2-14.0 Violated in 0 structures by 0.00 A. Peak 3310 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.56 A): 19 out of 71 assignments used, quality = 1.00: HD3 LYS 73 + HE2 LYS 73 OK 87 100 100 87 2.2-2.6 3.0=63, 3298/4.0=9...(48) HD3 LYS 73 + HE3 LYS 73 OK 87 100 100 87 2.7-3.0 3.0=63, 3298/4.0=9...(48) HD2 LYS 73 + HE3 LYS 73 OK 86 100 100 86 2.3-2.9 3.0=63, 3298/4.0=9...(44) * HD2 LYS 73 + HE2 LYS 73 OK 86 100 100 86 2.7-3.0 3.0=63, 3298/4.0=9...(44) HD2 LYS 24 + HE3 LYS 24 OK 66 74 100 88 2.2-3.0 3.0=64, 3.0/1092=4...(53) HD2 LYS 24 + HE2 LYS 24 OK 66 74 100 88 2.6-3.0 3.0=64, 3.0/1092=4...(53) HD3 LYS 24 + HE2 LYS 24 OK 64 72 100 88 2.2-3.0 3.0=64, 3.0/1092=4...(53) HD3 LYS 24 + HE3 LYS 24 OK 64 72 100 88 2.6-3.0 3.0=64, 3.0/1092=4...(53) HD2 LYS 13 + HE3 LYS 13 OK 62 69 100 89 2.3-3.0 2.9=66, 3.0/576=8...(48) HD2 LYS 47 + HE2 LYS 47 OK 61 71 100 87 2.9-3.0 3.0=64, 3.0/2176=5...(50) HD2 LYS 47 + HE3 LYS 47 OK 61 71 100 87 2.3-2.8 3.0=64, 3.0/2176=5...(50) HD3 LYS 47 + HE2 LYS 47 OK 61 70 100 87 2.2-2.7 3.0=64, 3.0/2176=5...(47) HD3 LYS 47 + HE3 LYS 47 OK 61 70 100 87 2.9-3.0 3.0=64, 3.0/2176=5...(46) HD2 LYS 13 + HE2 LYS 13 OK 60 67 100 89 2.2-3.0 2.9=66, 3.0/576=8...(48) HD3 LYS 13 + HE3 LYS 13 OK 58 65 100 89 2.2-3.0 2.9=66, 3.0/576=8...(48) HD3 LYS 13 + HE2 LYS 13 OK 57 63 100 89 2.2-2.9 2.9=66, 3.0/576=8...(48) HD3 LYS 90 + HE3 LYS 90 OK 54 67 100 80 2.6-3.0 3.0=65, 2.9/4005=22...(13) HD2 LYS 12 + HE3 LYS 12 OK 52 62 100 85 2.2-3.0 3.0=63, ~463=14...(29) HD3 LYS 12 + HE3 LYS 12 OK 52 62 100 85 2.3-3.0 3.0=63, ~463=14...(29) HG2 PRO 86 - HE2 LYS 13 lone 9 81 80 14 2.0-5.3 ~3842=2, 2.3/12335=2...(8) HG2 PRO 86 - HE3 LYS 13 lone 5 83 50 13 2.2-6.4 ~3842=2, 2.3/12335=2...(8) HD2 LYS 39 - HE2 LYS 73 far 5 98 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 5 97 5 - 4.0-10.8 HG2 PRO 86 - HE3 LYS 90 far 4 73 5 - 4.0-8.1 HD3 LYS 39 - HE3 LYS 73 far 0 83 0 - 4.1-10.1 HD3 LYS 39 - HE2 LYS 73 far 0 84 0 - 4.3-10.6 HD2 LYS 20 - HE3 LYS 90 far 0 89 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 75 0 - 4.6-9.2 HD3 LYS 13 - HE3 LYS 90 far 0 57 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 91 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 60 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 91 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 85 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 73 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 74 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 76 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 68 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 75 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 70 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 62 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 58 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 69 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 67 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 84 0 - 8.4-12.7 HD3 LYS 24 - HE3 LYS 90 far 0 67 0 - 8.4-14.7 HD2 LYS 12 - HE2 LYS 13 far 0 67 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 69 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 94 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 72 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 72 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 85 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 72 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 76 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 81 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 98 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 80 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 97 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 94 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 91 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 69 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 91 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 76 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 95 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 96 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 88 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 97 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 63 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 3311 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.66 A): 19 out of 71 assignments used, quality = 1.00: * HD3 LYS 73 + HE2 LYS 73 OK 91 100 100 91 2.2-2.6 3.0=71, 3298/4.0=10...(51) HD3 LYS 73 + HE3 LYS 73 OK 91 100 100 91 2.7-3.0 3.0=71, 3298/4.0=10...(51) HD2 LYS 73 + HE2 LYS 73 OK 90 100 100 90 2.7-3.0 3.0=71, 3298/4.0=10...(47) HD2 LYS 73 + HE3 LYS 73 OK 90 100 100 91 2.3-2.9 3.0=71, 3298/4.0=10...(47) HD2 LYS 24 + HE3 LYS 24 OK 65 71 100 92 2.2-3.0 3.0=72, 3.0/1093=5...(59) HD2 LYS 24 + HE2 LYS 24 OK 65 71 100 92 2.6-3.0 3.0=72, 3.0/1093=5...(59) HD3 LYS 24 + HE2 LYS 24 OK 63 69 100 92 2.2-3.0 3.0=72, 3.0/1093=5...(59) HD3 LYS 24 + HE3 LYS 24 OK 63 69 100 92 2.6-3.0 3.0=72, 3.0/1093=5...(59) HD2 LYS 47 + HE2 LYS 47 OK 63 69 100 91 2.9-3.0 3.0=72, 3.0/2177=6...(52) HD2 LYS 47 + HE3 LYS 47 OK 63 69 100 91 2.3-2.8 3.0=72, 3.0/2176=6...(52) HD3 LYS 47 + HE2 LYS 47 OK 62 68 100 91 2.2-2.7 3.0=72, 3.0/2177=6...(53) HD3 LYS 47 + HE3 LYS 47 OK 62 68 100 91 2.9-3.0 3.0=72, 3.0/2176=6...(52) HD2 LYS 13 + HE3 LYS 13 OK 61 65 100 93 2.3-3.0 2.9=74, 3.0/576=9...(52) HD2 LYS 13 + HE2 LYS 13 OK 59 63 100 93 2.2-3.0 2.9=74, 3.0/576=9...(52) HD3 LYS 13 + HE3 LYS 13 OK 57 61 100 93 2.2-3.0 2.9=74, 3.0/576=9...(52) HD3 LYS 13 + HE2 LYS 13 OK 55 60 100 93 2.2-2.9 2.9=74, 3.0/576=9...(52) HD3 LYS 90 + HE3 LYS 90 OK 54 64 100 86 2.6-3.0 3.0=73, 2.9/4005=24...(13) HD2 LYS 12 + HE3 LYS 12 OK 52 58 100 90 2.2-3.0 3.0=71, ~463=16, ~423=8...(33) HD3 LYS 12 + HE3 LYS 12 OK 52 58 100 90 2.3-3.0 3.0=71, ~463=16, ~423=8...(33) HG2 PRO 86 - HE2 LYS 13 lone 10 78 85 15 2.0-5.3 ~3842=2, 2.3/12335=2...(8) HG2 PRO 86 - HE3 LYS 13 lone 7 80 60 15 2.2-6.4 ~3842=2, 2.3/12335=2...(8) HD2 LYS 39 - HE2 LYS 73 far 5 99 5 - 3.4-11.3 HD2 LYS 39 - HE3 LYS 73 far 5 98 5 - 4.0-10.8 HD3 LYS 39 - HE3 LYS 73 far 4 86 5 - 4.1-10.1 HG2 PRO 86 - HE3 LYS 90 far 4 70 5 - 4.0-8.1 HD3 LYS 39 - HE2 LYS 73 far 0 87 0 - 4.3-10.6 HD2 LYS 20 - HE3 LYS 90 far 0 88 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 71 0 - 4.6-9.2 HD3 LYS 13 - HE3 LYS 90 far 0 53 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 90 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 57 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 90 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 83 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 95 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 70 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 70 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 73 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 95 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 64 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 71 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 95 0 - 7.6-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 65 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 58 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 54 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 65 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 63 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 87 0 - 8.4-12.7 HD3 LYS 24 - HE3 LYS 90 far 0 64 0 - 8.4-14.7 HD2 LYS 12 - HE2 LYS 13 far 0 63 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 65 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 93 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 69 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 69 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 88 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 69 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 75 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 78 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 98 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 76 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 95 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 96 0 - 9.2-12.0 HD2 LYS 20 - HE3 LYS 24 far 0 93 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 89 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 65 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 89 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 75 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 97 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 95 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 91 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 96 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 65 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 3312 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 99 99 - 100 HE3 LYS 13 + HE3 LYS 13 OK 98 98 - 100 HE2 LYS 13 + HE2 LYS 13 OK 96 96 - 100 HE3 LYS 24 + HE3 LYS 24 OK 94 94 - 100 HE2 LYS 24 + HE2 LYS 24 OK 94 94 - 100 HE3 LYS 12 + HE3 LYS 12 OK 88 88 - 100 HE3 LYS 90 + HE3 LYS 90 OK 85 85 - 100 HE3 LYS 47 + HE3 LYS 47 OK 61 61 - 100 HE2 LYS 47 + HE2 LYS 47 OK 61 61 - 100 Peak 3313 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 96 96 - 100 HE2 LYS 13 + HE2 LYS 13 OK 94 94 - 100 HE3 LYS 24 + HE3 LYS 24 OK 90 90 - 100 HE2 LYS 24 + HE2 LYS 24 OK 90 90 - 100 HE3 LYS 90 + HE3 LYS 90 OK 89 89 - 100 HE3 LYS 12 + HE3 LYS 12 OK 83 83 - 100 HE3 LYS 47 + HE3 LYS 47 OK 54 54 - 100 HE2 LYS 47 + HE2 LYS 47 OK 54 54 - 100 Reference assignment not found: HE3 LYS 73 - HE2 LYS 73 Peak 3316 from cnoeabs.peaks (4.17, 2.95, 41.80 ppm; 4.69 A): 7 out of 19 assignments used, quality = 1.00: * HA LYS 73 + HE3 LYS 73 OK 100 100 100 100 4.4-5.4 3232/4.0=47, 3231/4.0=46...(66) HA LYS 73 + HE2 LYS 73 OK 100 100 100 100 4.4-5.5 3232/4.0=47, 3231/4.0=46...(67) HA LYS 13 + HE3 LYS 13 OK 88 88 100 100 4.4-5.4 486/3.8=69, 518/3.8=60...(54) HA LYS 13 + HE2 LYS 13 OK 81 85 95 100 4.7-6.4 486/3.8=69, 518/3.8=60...(56) HA LYS 47 + HE2 LYS 47 OK 44 44 100 100 4.2-5.2 6.3=42, 2127/3.8=37...(83) HA LYS 47 + HE3 LYS 47 OK 44 44 100 100 4.2-5.5 6.3=42, 2127/3.8=37...(83) HB3 SER 85 + HE2 LYS 13 OK 26 83 70 45 4.3-7.8 9875/2.9=14, 9875/2.9=14...(9) HB3 SER 85 - HE3 LYS 13 poor 17 86 20 - 5.8-9.4 HA LYS 13 - HE3 LYS 12 far 8 76 10 - 5.9-8.7 HB3 SER 85 - HE3 LYS 90 far 4 88 5 - 6.0-10.2 HA LYS 13 - HE3 LYS 90 far 0 90 0 - 6.6-11.3 HA GLN 72 - HE3 LYS 73 far 0 95 0 - 7.4-8.6 HA GLN 72 - HE2 LYS 73 far 0 94 0 - 7.6-9.2 HA GLU 23 - HE2 LYS 24 far 0 72 0 - 8.3-9.4 HA GLU 23 - HE3 LYS 24 far 0 72 0 - 8.4-9.8 HA GLU 98 - HE2 LYS 94 far 0 61 0 - 8.5-12.6 HA GLU 23 - HE2 LYS 94 far 0 52 0 - 8.8-14.1 HA GLU 98 - HE3 LYS 24 far 0 83 0 - 9.3-14.0 HB2 SER 59 - HE2 LYS 13 far 0 89 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 3317 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.79 A): 14 out of 41 assignments used, quality = 1.00: * HB2 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.2-4.7 4.9=46, 4.1/7212=13...(121) HB3 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.5-4.5 4.9=46, 4.1/7212=13...(121) HB2 LYS 73 + HE2 LYS 73 OK 99 100 100 100 2.7-4.9 4.9=46, 4.1/7212=13...(121) HB3 LYS 73 + HE2 LYS 73 OK 99 100 100 100 3.6-4.1 4.9=46, 4.1/7212=13...(121) HB3 LYS 24 + HE3 LYS 24 OK 89 90 100 100 2.7-5.2 4.9=45, ~12306=16...(106) HB2 LYS 24 + HE2 LYS 24 OK 89 90 100 100 2.5-5.1 4.9=45, ~12306=14...(107) HB3 LYS 24 + HE2 LYS 24 OK 89 90 100 100 2.6-5.2 4.9=45, ~12306=14...(107) HB2 LYS 24 + HE3 LYS 24 OK 89 90 100 100 3.0-4.7 4.9=45, ~12306=16...(106) HB2 GLU 17 + HE3 LYS 90 OK 74 91 95 86 2.1-6.1 12027/3.8=32...(22) HB2 LYS 47 + HE2 LYS 47 OK 59 59 100 100 2.2-4.6 4.9=47, 2134/6.6=18...(112) HB2 LYS 47 + HE3 LYS 47 OK 59 59 100 100 2.0-4.3 4.9=47, 2134/6.6=18...(112) HB3 LYS 47 + HE2 LYS 47 OK 37 38 100 100 2.0-3.5 4.9=47, 2154/1.8=13...(119) HB3 LYS 47 + HE3 LYS 47 OK 37 38 100 100 2.1-4.4 4.9=47, 2155/1.8=13...(119) HB2 LYS 94 + HE2 LYS 94 OK 34 39 90 98 3.7-5.4 4.8=50, 1.8/4205=21...(36) HB3 LYS 24 - HE2 LYS 94 far 7 67 10 - 4.3-10.2 HB2 LYS 94 - HE3 LYS 24 far 6 55 10 - 4.0-12.3 HB2 ARG 46 - HE3 LYS 47 far 3 55 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 3 55 5 - 4.4-9.5 HB2 LYS 94 - HE2 LYS 24 far 0 55 0 - 5.3-12.1 HB3 ARG 46 - HE3 LYS 47 far 0 63 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 75 0 - 5.5-9.2 HB3 ARG 46 - HE2 LYS 47 far 0 63 0 - 5.6-9.1 HB2 LYS 24 - HE2 LYS 94 far 0 67 0 - 5.6-11.8 HB2 GLU 17 - HE2 LYS 13 far 0 86 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 89 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 75 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 100 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 83 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 99 0 - 7.1-10.5 HB2 LYS 94 - HE3 LYS 90 far 0 63 0 - 7.4-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 93 0 - 7.9-10.7 HB3 LYS 20 - HE2 LYS 94 far 0 54 0 - 8.1-12.6 HB2 GLU 17 - HE2 LYS 94 far 0 61 0 - 8.2-11.7 HG3 GLU 88 - HE2 LYS 13 far 0 88 0 - 8.2-11.9 HB3 ARG 19 - HE3 LYS 12 far 0 62 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 97 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 75 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 90 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 62 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 62 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 83 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 3318 from cnoeabs.peaks (1.96, 2.95, 41.80 ppm; 3.79 A): 14 out of 42 assignments used, quality = 1.00: HB2 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.2-4.7 4.9=46, 4.1/7212=13...(121) * HB3 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.5-4.5 4.9=46, 4.1/7212=13...(121) HB3 LYS 73 + HE2 LYS 73 OK 99 100 100 100 3.6-4.1 4.9=46, 4.1/7212=13...(121) HB2 LYS 73 + HE2 LYS 73 OK 99 100 100 100 2.7-4.9 4.9=46, 4.1/7212=13...(121) HB3 LYS 24 + HE3 LYS 24 OK 89 89 100 100 2.7-5.2 4.9=45, ~12306=16...(106) HB2 LYS 24 + HE2 LYS 24 OK 89 89 100 100 2.5-5.1 4.9=45, ~12306=14...(107) HB3 LYS 24 + HE2 LYS 24 OK 89 89 100 100 2.6-5.2 4.9=45, ~12306=14...(107) HB2 LYS 24 + HE3 LYS 24 OK 89 89 100 100 3.0-4.7 4.9=45, ~12306=16...(106) HB2 GLU 17 + HE3 LYS 90 OK 75 92 95 86 2.1-6.1 12027/3.8=32...(22) HB2 LYS 47 + HE2 LYS 47 OK 59 59 100 100 2.2-4.6 4.9=47, 2134/6.6=18...(112) HB2 LYS 47 + HE3 LYS 47 OK 59 59 100 100 2.0-4.3 4.9=47, 2134/6.6=18...(112) HB3 LYS 47 + HE2 LYS 47 OK 39 39 100 100 2.0-3.5 4.9=47, 2155/1.8=13...(119) HB3 LYS 47 + HE3 LYS 47 OK 39 39 100 100 2.1-4.4 4.9=47, 2155/1.8=13...(119) HB2 LYS 94 + HE2 LYS 94 OK 35 40 90 98 3.7-5.4 4.8=50, 1.8/4205=21...(36) HB3 LYS 24 - HE2 LYS 94 far 7 67 10 - 4.3-10.2 HB2 LYS 94 - HE3 LYS 24 far 6 57 10 - 4.0-12.3 HB2 ARG 46 - HE3 LYS 47 far 3 54 5 - 4.1-9.6 HB2 ARG 46 - HE2 LYS 47 far 3 54 5 - 4.4-9.5 HB2 LYS 94 - HE2 LYS 24 far 0 57 0 - 5.3-12.1 HB3 ARG 46 - HE3 LYS 47 far 0 63 0 - 5.4-9.0 HB3 LYS 20 - HE2 LYS 24 far 0 76 0 - 5.5-9.2 HB3 ARG 46 - HE2 LYS 47 far 0 63 0 - 5.6-9.1 HB2 LYS 24 - HE2 LYS 94 far 0 67 0 - 5.6-11.8 HB2 GLU 17 - HE2 LYS 13 far 0 87 0 - 6.0-9.8 HB2 GLU 17 - HE3 LYS 13 far 0 90 0 - 6.1-10.0 HB3 LYS 20 - HE3 LYS 24 far 0 76 0 - 6.2-8.6 HB3 MET 74 - HE3 LYS 73 far 0 100 0 - 6.9-10.4 HB3 LYS 20 - HE3 LYS 90 far 0 84 0 - 7.0-10.5 HB3 MET 74 - HE2 LYS 73 far 0 99 0 - 7.1-10.5 HB2 LYS 94 - HE3 LYS 90 far 0 64 0 - 7.4-11.8 HG3 GLU 88 - HE3 LYS 90 far 0 93 0 - 7.9-10.7 HB3 LYS 20 - HE2 LYS 94 far 0 55 0 - 8.1-12.6 HB2 GLU 17 - HE2 LYS 94 far 0 62 0 - 8.2-11.7 HG3 GLU 88 - HE2 LYS 13 far 0 89 0 - 8.2-11.9 HB2 LYS 33 - HE3 LYS 12 far 0 44 0 - 8.6-14.1 HB3 ARG 19 - HE3 LYS 12 far 0 63 0 - 8.9-13.2 HB3 LYS 24 - HE3 LYS 90 far 0 97 0 - 9.1-11.5 HB3 ARG 19 - HE3 LYS 90 far 0 77 0 - 9.2-12.9 HG3 GLU 88 - HE3 LYS 13 far 0 91 0 - 9.3-12.9 HB3 MET 74 - HE2 LYS 47 far 0 62 0 - 9.3-13.4 HB3 MET 74 - HE3 LYS 47 far 0 62 0 - 9.4-13.4 HB2 GLU 17 - HE2 LYS 24 far 0 84 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 3319 from cnoeabs.peaks (1.49, 2.95, 41.80 ppm; 3.48 A): 9 out of 44 assignments used, quality = 1.00: * HG2 LYS 73 + HE3 LYS 73 OK 100 100 100 100 2.2-3.7 4.0=66, 3297/3.0=16...(109) HG2 LYS 73 + HE2 LYS 73 OK 99 100 100 100 2.1-4.0 4.0=66, 3297/3.0=16...(112) HG3 LYS 13 + HE3 LYS 13 OK 94 95 100 99 2.0-3.6 3.8=76, 486/6.0=19...(70) HG3 LYS 13 + HE2 LYS 13 OK 91 93 100 99 2.1-3.6 3.8=76, 486/6.0=19...(70) HG3 LYS 24 + HE2 LYS 24 OK 83 83 100 100 2.0-3.9 3.7=82, 1096/6.2=16...(107) HG3 LYS 24 + HE3 LYS 24 OK 83 83 100 100 2.2-3.9 3.7=82, 1096/6.2=16...(106) HG2 LYS 47 + HE2 LYS 47 OK 63 63 100 100 2.4-4.0 3.8=79, 6772/6.6=14...(125) HG2 LYS 47 + HE3 LYS 47 OK 63 63 100 100 2.3-3.8 3.8=79, 6772/6.6=14...(125) HB2 LEU 14 + HE2 LYS 13 OK 33 67 80 62 4.4-6.0 3.8/6196=10, 245/3.8=8...(28) HB2 LEU 14 - HE3 LYS 13 poor 14 70 20 - 4.7-7.1 HB2 ARG 91 - HE2 LYS 94 poor 10 67 45 35 2.8-10.0 ~4242=5, ~12238=4...(11) HG3 LYS 24 - HE2 LYS 94 far 9 61 15 - 3.6-11.3 HB2 LEU 14 - HE3 LYS 90 far 4 72 5 - 4.9-9.9 HB2 ARG 91 - HE3 LYS 90 far 0 97 0 - 5.4-8.6 HG2 LYS 20 - HE3 LYS 90 far 0 63 0 - 5.6-10.2 HB2 LEU 38 - HE2 LYS 73 far 0 62 0 - 7.1-13.1 HG2 LYS 20 - HE2 LYS 24 far 0 55 0 - 7.4-11.4 HG2 LYS 20 - HE3 LYS 24 far 0 55 0 - 7.4-11.2 HG LEU 38 - HE2 LYS 73 far 0 70 0 - 7.6-14.2 HG3 LYS 13 - HE3 LYS 90 far 0 97 0 - 7.9-12.9 HD3 LYS 40 - HE2 LYS 47 far 0 45 0 - 8.0-14.5 HD3 LYS 40 - HE3 LYS 47 far 0 45 0 - 8.1-14.8 HG3 LYS 66 - HE3 LYS 73 far 0 100 0 - 8.1-13.3 HB2 LEU 38 - HE3 LYS 73 far 0 63 0 - 8.4-12.3 HB2 LEU 27 - HE2 LYS 94 far 0 39 0 - 8.5-12.8 HG3 LYS 13 - HE3 LYS 12 far 0 84 0 - 8.6-10.0 HB3 LEU 103 - HE2 LYS 94 far 0 44 0 - 8.6-21.1 HB2 LEU 27 - HE2 LYS 24 far 0 55 0 - 8.8-12.0 HG2 LYS 20 - HE2 LYS 94 far 0 39 0 - 8.9-13.4 HG3 LYS 33 - HE3 LYS 12 far 0 81 0 - 9.0-14.0 HG LEU 57 - HE3 LYS 90 far 0 96 0 - 9.1-10.7 HG LEU 38 - HE3 LYS 73 far 0 71 0 - 9.2-13.0 HG13 ILE 52 - HE2 LYS 47 far 0 35 0 - 9.2-12.7 HG3 LYS 24 - HE3 LYS 90 far 0 91 0 - 9.2-13.2 HB2 LEU 27 - HE3 LYS 24 far 0 55 0 - 9.4-12.1 HG2 LYS 66 - HE3 LYS 73 far 0 100 0 - 9.4-13.0 HB ILE 7 - HE3 LYS 12 far 0 59 0 - 9.4-13.6 HD2 LYS 40 - HE2 LYS 47 far 0 44 0 - 9.6-13.1 HD2 LYS 40 - HE3 LYS 47 far 0 44 0 - 9.6-13.6 HG LEU 2 - HE2 LYS 47 far 0 49 0 - 9.6-13.8 HG3 LYS 66 - HE2 LYS 73 far 0 100 0 - 9.7-14.7 HG LEU 57 - HE2 LYS 94 far 0 66 0 - 9.7-12.4 HG13 ILE 52 - HE3 LYS 47 far 0 35 0 - 9.9-13.5 HB ILE 7 - HE3 LYS 90 far 0 72 0 - 10.0-13.3 Violated in 0 structures by 0.00 A. Peak 3320 from cnoeabs.peaks (1.60, 2.95, 41.80 ppm; 2.79 A): 10 out of 33 assignments used, quality = 1.00: * HG3 LYS 73 + HE3 LYS 73 OK 92 100 100 92 2.0-3.2 4.0=34, 3298/3.0=18...(65) HG3 LYS 73 + HE2 LYS 73 OK 92 100 100 92 2.1-3.8 4.0=34, 3298/3.0=18...(65) HG2 LYS 24 + HE3 LYS 24 OK 79 86 100 92 2.0-4.2 3.7=42, 1121/3.0=9...(71) HG2 LYS 24 + HE2 LYS 24 OK 79 86 100 92 2.0-4.1 3.7=42, 1121/3.0=9...(71) HG3 LYS 90 + HE3 LYS 90 OK 78 93 100 84 2.0-3.1 3.8=40, 1.8/4005=39...(15) HG3 LYS 12 + HE3 LYS 12 OK 74 84 100 87 2.2-4.1 4.0=35, ~463=27, ~423=14...(36) HD3 LYS 94 + HE2 LYS 94 OK 65 68 100 95 2.2-3.0 3.0=85, 3.5/4205=8...(37) HD2 LYS 94 + HE2 LYS 94 OK 48 50 100 95 2.2-3.0 3.0=85, 3.5/4205=8...(31) HG3 LYS 47 + HE2 LYS 47 OK 45 48 100 94 2.4-4.0 3.8=41, 2177/1.8=9...(67) HG3 LYS 47 + HE3 LYS 47 OK 45 48 100 94 2.4-3.8 3.8=41, 2176/1.8=9...(67) HG2 LYS 24 - HE2 LYS 94 far 10 64 15 - 3.1-11.5 HD3 LYS 94 - HE3 LYS 24 far 5 90 5 - 4.0-11.5 HD2 LYS 94 - HE3 LYS 24 far 0 70 0 - 4.9-10.8 HD3 LYS 94 - HE3 LYS 90 far 0 97 0 - 5.0-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 90 0 - 5.0-12.0 HG3 LYS 90 - HE2 LYS 94 far 0 63 0 - 5.3-8.9 HD2 LYS 94 - HE3 LYS 90 far 0 78 0 - 5.5-11.9 HD2 LYS 94 - HE2 LYS 24 far 0 70 0 - 5.6-11.2 HG LEU 27 - HE2 LYS 94 far 0 68 0 - 7.1-12.1 HG3 LYS 12 - HE3 LYS 13 far 0 95 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 88 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 90 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 90 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 90 0 - 7.8-10.8 HG3 LYS 12 - HE2 LYS 13 far 0 93 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 85 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 100 0 - 8.3-12.7 HG2 ARG 19 - HE3 LYS 90 far 0 93 0 - 8.4-14.0 HG3 LYS 90 - HE3 LYS 24 far 0 85 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 80 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 100 0 - 9.1-14.3 HG2 LYS 24 - HE3 LYS 90 far 0 94 0 - 9.2-14.0 HB2 LEU 103 - HE2 LYS 94 far 0 63 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 3321 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.78 A): 19 out of 78 assignments used, quality = 1.00: HD3 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.7-3.0 3.0=80, 3298/4.0=11...(51) * HD2 LYS 73 + HE3 LYS 73 OK 95 100 100 95 2.3-2.9 3.0=80, 3298/4.0=11...(47) HD3 LYS 73 + HE2 LYS 73 OK 94 100 100 95 2.2-2.6 3.0=80, 3298/4.0=11...(51) HD2 LYS 73 + HE2 LYS 73 OK 94 100 100 94 2.7-3.0 3.0=80, 3298/4.0=11...(47) HD3 LYS 90 + HE3 LYS 90 OK 68 74 100 92 2.6-3.0 3.0=83, 2.9/4005=30...(15) HD2 LYS 24 + HE3 LYS 24 OK 64 67 100 95 2.2-3.0 3.0=82, 3287/3.7=5...(62) HD2 LYS 24 + HE2 LYS 24 OK 64 67 100 95 2.6-3.0 3.0=82, 3287/3.7=5...(62) HD3 LYS 24 + HE2 LYS 24 OK 62 65 100 95 2.2-3.0 3.0=82, 3.0/1092=5...(62) HD3 LYS 24 + HE3 LYS 24 OK 62 65 100 95 2.6-3.0 3.0=82, 3.0/1092=5...(62) HD2 LYS 13 + HE3 LYS 13 OK 62 64 100 96 2.3-3.0 2.9=84, 3.0/576=9...(56) HD2 LYS 13 + HE2 LYS 13 OK 59 62 100 96 2.2-3.0 2.9=84, 3.0/576=9...(56) HD3 LYS 13 + HE3 LYS 13 OK 58 60 100 96 2.2-3.0 2.9=84, 3.0/576=9...(56) HD3 LYS 13 + HE2 LYS 13 OK 56 58 100 96 2.2-2.9 2.9=84, 3.0/576=9...(56) HD2 LYS 47 + HE2 LYS 47 OK 55 58 100 95 2.9-3.0 3.0=82, 2174/3.8=6...(60) HD2 LYS 47 + HE3 LYS 47 OK 55 58 100 95 2.3-2.8 3.0=82, 2174/3.8=6...(60) HD3 LYS 47 + HE2 LYS 47 OK 55 58 100 95 2.2-2.7 3.0=82, 2174/3.8=6...(60) HD3 LYS 47 + HE3 LYS 47 OK 55 58 100 95 2.9-3.0 3.0=82, 2174/3.8=6...(60) HD2 LYS 12 + HE3 LYS 12 OK 51 54 100 94 2.2-3.0 3.0=81, ~463=17, ~423=9...(37) HD3 LYS 12 + HE3 LYS 12 OK 51 54 100 94 2.3-3.0 3.0=81, ~463=17, ~423=9...(37) HG2 PRO 86 - HE2 LYS 13 lone 11 75 85 17 2.0-5.3 ~3842=3, 2.3/12335=2...(8) HG2 PRO 86 - HE3 LYS 13 lone 8 78 65 16 2.2-6.4 ~3842=3, ~3802=2...(8) HG2 PRO 86 - HE3 LYS 90 far 8 80 10 - 4.0-8.1 HB3 ARG 91 - HE2 LYS 94 poor 7 62 50 22 2.8-9.1 1820/3.9=3, 1820/3.9=3...(10) HD2 LYS 39 - HE3 LYS 73 far 5 98 5 - 4.0-10.8 HD2 LYS 39 - HE2 LYS 73 far 5 97 5 - 3.4-11.3 HD3 LYS 39 - HE3 LYS 73 far 4 84 5 - 4.1-10.1 HD3 LYS 39 - HE2 LYS 73 far 4 83 5 - 4.3-10.6 HD2 LYS 24 - HE2 LYS 94 far 2 48 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 2 47 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 2 47 5 - 4.1-10.1 HD2 LYS 20 - HE3 LYS 90 far 0 95 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 74 0 - 4.6-9.2 HD3 LYS 13 - HE3 LYS 90 far 0 63 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 96 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 66 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 96 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 92 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 89 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 65 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 75 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 71 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 89 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 70 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 69 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 89 0 - 7.6-12.5 HG3 LYS 20 - HE2 LYS 94 far 0 67 0 - 7.6-14.0 HD3 LYS 66 - HE2 LYS 73 far 0 68 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 54 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 51 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 64 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 62 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 85 0 - 8.4-12.7 HD3 LYS 24 - HE3 LYS 90 far 0 74 0 - 8.4-14.7 HD2 LYS 12 - HE2 LYS 13 far 0 62 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 64 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 87 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 78 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 65 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 84 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 65 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 63 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 76 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 94 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 73 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 89 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 93 0 - 9.2-12.0 HD2 LYS 20 - HE2 LYS 94 far 0 65 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 67 0 - 9.4-14.0 HD2 LYS 20 - HE3 LYS 24 far 0 87 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 82 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 75 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 84 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 63 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 96 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 91 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 87 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 92 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 51 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 3322 from cnoeabs.peaks (1.67, 2.95, 41.80 ppm; 2.71 A): 19 out of 78 assignments used, quality = 1.00: * HD3 LYS 73 + HE3 LYS 73 OK 93 100 100 93 2.7-3.0 3.0=74, 3298/4.0=10...(51) HD2 LYS 73 + HE3 LYS 73 OK 92 100 100 92 2.3-2.9 3.0=74, 3298/4.0=10...(47) HD3 LYS 73 + HE2 LYS 73 OK 92 100 100 92 2.2-2.6 3.0=74, 3298/4.0=10...(51) HD2 LYS 73 + HE2 LYS 73 OK 92 100 100 92 2.7-3.0 3.0=74, 3298/4.0=10...(47) HD3 LYS 90 + HE3 LYS 90 OK 62 70 100 88 2.6-3.0 3.0=76, 2.9/4005=28...(13) HD2 LYS 24 + HE3 LYS 24 OK 60 64 100 93 2.2-3.0 3.0=76, 3287/3.7=5...(59) HD2 LYS 24 + HE2 LYS 24 OK 60 64 100 93 2.6-3.0 3.0=76, 3287/3.7=5...(59) HD3 LYS 24 + HE2 LYS 24 OK 58 62 100 93 2.2-3.0 3.0=76, 3.0/1093=5...(59) HD3 LYS 24 + HE3 LYS 24 OK 58 62 100 93 2.6-3.0 3.0=76, 3.0/1093=5...(59) HD2 LYS 13 + HE3 LYS 13 OK 57 60 100 94 2.3-3.0 2.9=78, 3.0/576=9...(56) HD2 LYS 13 + HE2 LYS 13 OK 55 58 100 94 2.2-3.0 2.9=78, 3.0/576=9...(56) HD3 LYS 13 + HE3 LYS 13 OK 53 57 100 94 2.2-3.0 2.9=78, 3.0/576=9...(56) HD2 LYS 47 + HE2 LYS 47 OK 52 57 100 92 2.9-3.0 3.0=76, 2174/3.8=6...(55) HD2 LYS 47 + HE3 LYS 47 OK 52 57 100 92 2.3-2.8 3.0=76, 2174/3.8=6...(55) HD3 LYS 47 + HE2 LYS 47 OK 52 56 100 92 2.2-2.7 3.0=76, 2174/3.8=6...(55) HD3 LYS 47 + HE3 LYS 47 OK 52 56 100 92 2.9-3.0 3.0=76, 2174/3.8=6...(55) HD3 LYS 13 + HE2 LYS 13 OK 51 54 100 94 2.2-2.9 2.9=78, 3.0/576=9...(56) HD2 LYS 12 + HE3 LYS 12 OK 46 51 100 91 2.2-3.0 3.0=75, ~463=16, ~423=9...(36) HD3 LYS 12 + HE3 LYS 12 OK 46 51 100 91 2.3-3.0 3.0=75, ~463=16, ~423=9...(35) HG2 PRO 86 - HE2 LYS 13 lone 9 72 85 16 2.0-5.3 ~3842=2, 2.3/12335=2...(8) HG2 PRO 86 - HE3 LYS 13 lone 7 75 65 15 2.2-6.4 ~3842=2, ~3802=2...(8) HB3 ARG 91 - HE2 LYS 94 poor 6 60 50 21 2.8-9.1 1820/3.9=3, ~4242=2...(7) HD2 LYS 39 - HE3 LYS 73 far 5 99 5 - 4.0-10.8 HD2 LYS 39 - HE2 LYS 73 far 5 98 5 - 3.4-11.3 HD3 LYS 39 - HE3 LYS 73 far 4 87 5 - 4.1-10.1 HG2 PRO 86 - HE3 LYS 90 far 4 77 5 - 4.0-8.1 HD2 LYS 24 - HE2 LYS 94 far 2 45 5 - 4.0-12.2 HD3 LYS 24 - HE2 LYS 94 far 2 44 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 2 44 5 - 4.1-10.1 HD3 LYS 39 - HE2 LYS 73 far 0 86 0 - 4.3-10.6 HD2 LYS 20 - HE3 LYS 90 far 0 94 0 - 4.4-9.9 HG LEU 70 - HE2 LYS 73 far 0 70 0 - 4.6-9.2 HD3 LYS 13 - HE3 LYS 90 far 0 59 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 96 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 63 0 - 5.2-12.7 HD3 LYS 20 - HE3 LYS 90 far 0 96 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 90 0 - 5.7-9.5 HG3 LYS 20 - HE2 LYS 24 far 0 88 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 62 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 71 0 - 6.3-8.6 HD3 LYS 90 - HE3 LYS 13 far 0 68 0 - 6.6-12.7 HG3 LYS 20 - HE3 LYS 24 far 0 88 0 - 6.8-10.4 HD3 LYS 66 - HE3 LYS 73 far 0 65 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 65 0 - 7.3-12.5 HD3 LYS 20 - HE2 LYS 24 far 0 88 0 - 7.6-12.5 HG3 LYS 20 - HE2 LYS 94 far 0 66 0 - 7.6-14.0 HD3 LYS 66 - HE2 LYS 73 far 0 64 0 - 7.9-12.7 HD2 LYS 13 - HE3 LYS 12 far 0 51 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 47 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 60 0 - 8.2-11.5 HD3 LYS 12 - HE2 LYS 13 far 0 58 0 - 8.3-12.3 HG2 LYS 68 - HE3 LYS 73 far 0 88 0 - 8.4-12.7 HD3 LYS 24 - HE3 LYS 90 far 0 70 0 - 8.4-14.7 HD2 LYS 12 - HE2 LYS 13 far 0 58 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 60 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 86 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 75 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 62 0 - 8.7-14.4 HG2 LYS 68 - HE2 LYS 73 far 0 87 0 - 8.8-13.7 HD3 LYS 90 - HE3 LYS 24 far 0 62 0 - 8.8-14.7 HB ILE 52 - HE2 LYS 47 far 0 62 0 - 8.8-12.4 HG12 ILE 15 - HE3 LYS 13 far 0 73 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 94 0 - 9.0-13.2 HG12 ILE 15 - HE2 LYS 13 far 0 70 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 88 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 92 0 - 9.2-12.0 HD2 LYS 20 - HE2 LYS 94 far 0 64 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 66 0 - 9.4-14.0 HD2 LYS 20 - HE3 LYS 24 far 0 86 0 - 9.4-12.7 HD2 LYS 20 - HE3 LYS 12 far 0 81 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 72 0 - 9.6-15.2 HB3 ARG 91 - HE3 LYS 24 far 0 82 0 - 9.6-16.1 HB ILE 52 - HE3 LYS 47 far 0 62 0 - 9.7-13.0 HD2 LYS 68 - HE3 LYS 73 far 0 98 0 - 9.7-12.7 HD2 LYS 20 - HE2 LYS 13 far 0 89 0 - 9.7-12.4 HB ILE 76 - HE2 LYS 73 far 0 89 0 - 9.8-13.0 HD3 LYS 20 - HE2 LYS 13 far 0 91 0 - 9.9-13.7 HB2 LYS 40 - HE2 LYS 47 far 0 53 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 3323 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 13 + HE3 LYS 13 OK 94 94 - 100 HE3 LYS 90 + HE3 LYS 90 OK 92 92 - 100 HE2 LYS 13 + HE2 LYS 13 OK 91 91 - 100 HE2 LYS 24 + HE2 LYS 24 OK 87 87 - 100 HE3 LYS 24 + HE3 LYS 24 OK 87 87 - 100 HE3 LYS 12 + HE3 LYS 12 OK 79 79 - 100 HE2 LYS 47 + HE2 LYS 47 OK 49 49 - 100 HE3 LYS 47 + HE3 LYS 47 OK 49 49 - 100 HE2 LYS 94 + HE2 LYS 94 OK 44 44 - 100 Reference assignment not found: HE2 LYS 73 - HE3 LYS 73 Peak 3324 from cnoeabs.peaks (2.95, 2.95, 41.80 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 99 99 - 100 HE3 LYS 90 + HE3 LYS 90 OK 95 95 - 100 HE3 LYS 13 + HE3 LYS 13 OK 92 92 - 100 HE2 LYS 13 + HE2 LYS 13 OK 88 88 - 100 HE2 LYS 24 + HE2 LYS 24 OK 83 83 - 100 HE3 LYS 24 + HE3 LYS 24 OK 83 83 - 100 HE3 LYS 12 + HE3 LYS 12 OK 74 74 - 100 HE2 LYS 94 + HE2 LYS 94 OK 50 50 - 100 HE2 LYS 47 + HE2 LYS 47 OK 44 44 - 100 HE3 LYS 47 + HE3 LYS 47 OK 44 44 - 100 Peak 3326 from cnoeabs.peaks (7.75, 4.40, 55.19 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * H MET 74 + HA MET 74 OK 100 100 100 100 2.8-2.9 3.0=100 H VAL 78 - HA MET 74 far 0 99 0 - 9.2-10.0 H SER 49 - HA MET 74 far 0 91 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 3327 from cnoeabs.peaks (4.40, 4.40, 55.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 74 + HA MET 74 OK 100 100 - 100 Peak 3328 from cnoeabs.peaks (2.06, 4.40, 55.19 ppm; 3.68 A): 1 out of 3 assignments used, quality = 1.00: * HB2 MET 74 + HA MET 74 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 GLU 43 - HA MET 74 far 0 100 0 - 6.8-9.1 HB3 LEU 38 - HA MET 74 far 0 99 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 3329 from cnoeabs.peaks (1.96, 4.40, 55.19 ppm; 3.78 A): 5 out of 7 assignments used, quality = 1.00: * HB3 MET 74 + HA MET 74 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 73 + HA MET 74 OK 96 100 100 97 4.1-4.7 3.0/10859=46...(22) HB3 LYS 73 + HA MET 74 OK 96 100 100 96 4.3-4.9 3.0/10859=46...(21) QE MET 74 + HA MET 74 OK 56 59 100 95 2.3-4.3 3.4/3330=53, 5.3=35...(16) HB2 ARG 46 + HA MET 74 OK 21 98 30 72 4.2-7.5 3.6/12326=32...(15) HB3 ARG 46 - HA MET 74 far 10 100 10 - 4.8-7.1 HB2 LYS 47 - HA MET 74 far 0 100 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3330 from cnoeabs.peaks (2.53, 4.40, 55.19 ppm; 3.70 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 74 + HA MET 74 OK 100 100 100 100 2.5-3.6 3351=81, 7228/3.0=58...(21) HG3 GLN 72 - HA MET 74 far 0 99 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 3331 from cnoeabs.peaks (2.62, 4.40, 55.19 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 74 + HA MET 74 OK 100 100 100 100 3.7-4.2 4.0=100 Violated in 5 structures by 0.03 A. Peak 3332 from cnoeabs.peaks (2.00, 4.40, 55.19 ppm; 3.98 A): 3 out of 4 assignments used, quality = 1.00: * QE MET 74 + HA MET 74 OK 100 100 100 100 2.3-4.3 3367=79, 3.4/3330=59...(17) HB3 MET 74 + HA MET 74 OK 59 59 100 100 2.2-3.0 3.0=100 HB2 ARG 46 + HA MET 74 OK 28 82 45 76 4.2-7.5 3.6/12326=36...(15) HB2 LYS 47 - HA MET 74 far 0 71 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 3333 from cnoeabs.peaks (8.08, 4.40, 55.19 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HA MET 74 OK 100 100 100 100 3.3-3.4 3.6=100 H LYS 39 - HA MET 74 far 0 100 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 3334 from cnoeabs.peaks (7.75, 2.06, 33.37 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * H MET 74 + HB2 MET 74 OK 100 100 100 100 2.9-3.5 4.0=100 H VAL 78 - HB2 MET 74 far 0 99 0 - 6.5-9.7 H SER 49 - HB2 MET 74 far 0 91 0 - 8.1-11.8 Violated in 0 structures by 0.00 A. Peak 3335 from cnoeabs.peaks (4.40, 2.06, 33.37 ppm; 4.74 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 74 + HB2 MET 74 OK 100 100 100 100 2.2-3.0 3.0=100 HA ILE 76 + HB2 MET 74 OK 34 85 40 99 4.6-6.7 3.0/9645=70, 3.8/9664=59...(13) HA GLN 50 - HB2 MET 74 far 0 100 0 - 9.1-14.9 Violated in 0 structures by 0.00 A. Peak 3336 from cnoeabs.peaks (2.06, 2.06, 33.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 74 + HB2 MET 74 OK 100 100 - 100 Peak 3337 from cnoeabs.peaks (1.96, 2.06, 33.37 ppm; 3.57 A): 5 out of 10 assignments used, quality = 1.00: * HB3 MET 74 + HB2 MET 74 OK 100 100 100 100 1.8-1.8 1.8=100 QE MET 74 + HB2 MET 74 OK 53 59 100 90 1.8-3.8 4.2=62, 3367/3.0=21...(12) HB2 LYS 73 + HB2 MET 74 OK 53 100 60 88 4.2-5.8 4.6/7226=33, ~10859=19...(20) HB3 ARG 46 + HB2 MET 74 OK 26 100 50 53 3.1-6.3 9665/9664=11, ~9014=6...(17) HB2 ARG 46 + HB2 MET 74 OK 24 98 50 48 2.7-6.8 9665/9664=8, ~9014=6...(15) HB3 LYS 73 - HB2 MET 74 far 5 100 5 - 4.9-6.8 HB2 LYS 47 - HB2 MET 74 far 0 100 0 - 8.5-12.3 HB3 GLU 44 - HB2 MET 74 far 0 61 0 - 8.7-11.7 HB2 GLU 44 - HB2 MET 74 far 0 61 0 - 8.8-11.4 HB3 LYS 47 - HB2 MET 74 far 0 61 0 - 9.2-12.0 Violated in 0 structures by 0.00 A. Peak 3338 from cnoeabs.peaks (2.53, 2.06, 33.37 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 74 + HB2 MET 74 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 GLN 72 - HB2 MET 74 far 0 99 0 - 7.3-9.5 Violated in 0 structures by 0.00 A. Peak 3339 from cnoeabs.peaks (2.62, 2.06, 33.37 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 74 + HB2 MET 74 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 ASP 77 - HB2 MET 74 far 0 98 0 - 8.6-11.9 HB3 TYR 41 - HB2 MET 74 far 0 96 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 3340 from cnoeabs.peaks (2.00, 2.06, 33.37 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.99: * QE MET 74 + HB2 MET 74 OK 98 100 100 98 1.8-3.8 4.2=74, 3367/3.0=48...(16) HB3 MET 74 + HB2 MET 74 OK 59 59 100 100 1.8-1.8 1.8=100 HB2 ARG 46 + HB2 MET 74 OK 23 82 55 50 2.7-6.8 3332/3.0=8, ~9014=7...(16) HB2 LYS 47 - HB2 MET 74 far 0 71 0 - 8.5-12.3 HB3 GLU 44 - HB2 MET 74 far 0 100 0 - 8.7-11.7 HB2 GLU 44 - HB2 MET 74 far 0 100 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 3341 from cnoeabs.peaks (8.08, 2.06, 33.37 ppm; 6.22 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HB2 MET 74 OK 100 100 100 100 3.3-4.5 4.3=100 H LYS 39 - HB2 MET 74 far 10 100 10 - 7.5-9.4 Violated in 0 structures by 0.00 A. Peak 3342 from cnoeabs.peaks (7.75, 1.96, 33.37 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * H MET 74 + HB3 MET 74 OK 100 100 100 100 2.3-3.6 4.0=100 H VAL 78 - HB3 MET 74 far 0 99 0 - 7.3-9.3 H SER 49 - HB3 MET 74 far 0 91 0 - 7.7-10.9 Violated in 0 structures by 0.00 A. Peak 3343 from cnoeabs.peaks (4.40, 1.96, 33.37 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: * HA MET 74 + HB3 MET 74 OK 100 100 100 100 2.2-3.0 3.0=100 HA ILE 76 + HB3 MET 74 OK 84 85 100 99 4.7-6.6 ~9645=57, ~9584=37...(16) HA GLN 50 - HB3 MET 74 far 0 100 0 - 8.2-14.1 Violated in 0 structures by 0.00 A. Peak 3344 from cnoeabs.peaks (2.06, 1.96, 33.37 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HB2 MET 74 + HB3 MET 74 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 GLU 43 - HB3 MET 74 far 0 100 0 - 5.7-7.6 HB3 LEU 38 - HB3 MET 74 far 0 99 0 - 8.3-11.6 HB2 GLN 50 - HB3 MET 74 far 0 59 0 - 9.6-14.5 HB3 GLU 48 - HB3 MET 74 far 0 96 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 3345 from cnoeabs.peaks (1.96, 1.96, 33.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 74 + HB3 MET 74 OK 100 100 - 100 Peak 3346 from cnoeabs.peaks (2.53, 1.96, 33.37 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: * HG2 MET 74 + HB3 MET 74 OK 100 100 100 100 2.5-3.0 2.9=100 HG3 GLN 72 - HB3 MET 74 far 0 99 0 - 6.7-9.2 Violated in 0 structures by 0.00 A. Peak 3347 from cnoeabs.peaks (2.62, 1.96, 33.37 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 74 + HB3 MET 74 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ASP 77 - HB3 MET 74 far 0 98 0 - 8.9-10.9 HB3 TYR 41 - HB3 MET 74 far 0 96 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 3348 from cnoeabs.peaks (2.00, 1.96, 33.37 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: HB3 MET 74 + HB3 MET 74 OK 59 59 - 100 Reference assignment not found: QE MET 74 - HB3 MET 74 Peak 3349 from cnoeabs.peaks (8.08, 1.96, 33.37 ppm; 6.48 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 75 + HB3 MET 74 OK 100 100 100 100 3.4-4.5 4.3=100 H LYS 39 - HB3 MET 74 poor 19 100 25 78 7.5-9.4 3373/4.2=43, 3357/2.9=34...(4) Violated in 0 structures by 0.00 A. Peak 3350 from cnoeabs.peaks (7.75, 2.53, 33.04 ppm; 4.08 A): 1 out of 3 assignments used, quality = 1.00: * H MET 74 + HG2 MET 74 OK 100 100 100 100 1.5-4.0 7228=100, 7229/1.8=85...(22) H VAL 78 - HG2 MET 74 far 0 99 0 - 6.7-10.2 H SER 49 - HG2 MET 74 far 0 91 0 - 9.7-12.6 Violated in 0 structures by 0.00 A. Peak 3351 from cnoeabs.peaks (4.40, 2.53, 33.04 ppm; 3.96 A): 1 out of 2 assignments used, quality = 1.00: * HA MET 74 + HG2 MET 74 OK 100 100 100 100 2.5-3.6 3330=100, 3.0/7228=65...(21) HA ILE 76 - HG2 MET 74 far 0 85 0 - 5.5-7.5 Violated in 0 structures by 0.00 A. Peak 3352 from cnoeabs.peaks (2.06, 2.53, 33.04 ppm; 3.96 A): 1 out of 4 assignments used, quality = 1.00: * HB2 MET 74 + HG2 MET 74 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 GLU 43 - HG2 MET 74 far 5 100 5 - 5.2-9.0 HB3 LEU 38 - HG2 MET 74 far 0 99 0 - 6.6-10.8 HB3 GLU 35 - HG2 MET 74 far 0 94 0 - 8.9-12.3 Violated in 0 structures by 0.00 A. Peak 3353 from cnoeabs.peaks (1.96, 2.53, 33.04 ppm; 3.76 A): 4 out of 9 assignments used, quality = 1.00: * HB3 MET 74 + HG2 MET 74 OK 100 100 100 100 2.5-3.0 2.9=100 HB2 LYS 73 + HG2 MET 74 OK 93 100 100 93 2.9-5.0 4.6/7228=37, 12187=20...(20) QE MET 74 + HG2 MET 74 OK 59 59 100 100 2.3-3.4 3.4=100 HB3 LYS 73 + HG2 MET 74 OK 59 100 65 91 4.2-5.8 4.6/7228=37, 12185=20...(18) HB3 ARG 46 - HG2 MET 74 far 10 100 10 - 5.1-8.3 HB2 ARG 46 - HG2 MET 74 far 10 98 10 - 5.0-8.6 HB3 GLU 44 - HG2 MET 74 far 0 61 0 - 8.4-13.0 HB2 GLU 44 - HG2 MET 74 far 0 61 0 - 9.3-12.7 HB3 LYS 47 - HG2 MET 74 far 0 61 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 3354 from cnoeabs.peaks (2.53, 2.53, 33.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 74 + HG2 MET 74 OK 100 100 - 100 Peak 3355 from cnoeabs.peaks (2.62, 2.53, 33.04 ppm; 2.87 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 74 + HG2 MET 74 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 77 - HG2 MET 74 far 0 98 0 - 9.4-11.9 HB3 TYR 41 - HG2 MET 74 far 0 96 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 3356 from cnoeabs.peaks (2.00, 2.53, 33.04 ppm; 3.95 A): 2 out of 5 assignments used, quality = 1.00: * QE MET 74 + HG2 MET 74 OK 100 100 100 100 2.3-3.4 3.4=100 HB3 MET 74 + HG2 MET 74 OK 59 59 100 100 2.5-3.0 2.9=100 HB2 ARG 46 - HG2 MET 74 far 12 82 15 - 5.0-8.6 HB3 GLU 44 - HG2 MET 74 far 0 100 0 - 8.4-13.0 HB2 GLU 44 - HG2 MET 74 far 0 100 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 3357 from cnoeabs.peaks (8.08, 2.53, 33.04 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 75 + HG2 MET 74 OK 100 100 100 100 2.6-5.3 4.8=100 H LYS 39 + HG2 MET 74 OK 84 100 85 99 6.6-8.2 ~9609=70, ~8951=65...(11) Violated in 0 structures by 0.00 A. Peak 3358 from cnoeabs.peaks (7.75, 2.62, 33.04 ppm; 3.84 A): 3 out of 5 assignments used, quality = 1.00: * H MET 74 + HG3 MET 74 OK 100 100 100 100 2.2-3.9 7229=100, 7228/1.8=79...(21) H ASN 60 + HB VAL 58 OK 59 59 100 99 2.4-2.8 9410=67, 9422/3.0=49...(19) H LEU 64 + HB VAL 58 OK 44 45 100 97 3.1-3.8 ~9388=34, ~9385=34...(19) H VAL 78 - HG3 MET 74 far 0 99 0 - 6.1-9.2 H SER 49 - HG3 MET 74 far 0 91 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 3359 from cnoeabs.peaks (4.40, 2.62, 33.04 ppm; 4.14 A): 3 out of 7 assignments used, quality = 1.00: * HA MET 74 + HG3 MET 74 OK 100 100 100 100 3.7-4.2 4.0=100 HA ILE 76 + HG3 MET 74 OK 41 85 55 87 4.3-7.2 ~9645=28, 3343/2.9=21...(13) HA SER 9 + HB VAL 58 OK 20 49 75 56 4.8-6.0 9403/4.4=23, ~10226=12...(10) HA ASP 61 - HB VAL 58 far 0 33 0 - 5.7-6.5 HB THR 84 - HB VAL 58 far 0 35 0 - 8.8-11.2 HA VAL 32 - HB VAL 58 far 0 64 0 - 9.0-10.3 HA GLN 50 - HG3 MET 74 far 0 100 0 - 9.2-15.0 Violated in 0 structures by 0.00 A. Peak 3360 from cnoeabs.peaks (2.06, 2.62, 33.04 ppm; 3.88 A): 1 out of 8 assignments used, quality = 1.00: * HB2 MET 74 + HG3 MET 74 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 GLU 43 - HG3 MET 74 far 5 100 5 - 5.1-8.4 HB3 LEU 38 - HG3 MET 74 far 0 99 0 - 6.0-10.2 HB3 GLU 62 - HB VAL 58 far 0 49 0 - 7.0-8.5 HB3 LEU 38 - HB VAL 58 far 0 63 0 - 7.9-10.9 HB3 GLU 35 - HG3 MET 74 far 0 94 0 - 9.2-12.8 HB3 GLU 88 - HB VAL 58 far 0 60 0 - 9.9-10.5 HB3 GLU 35 - HB VAL 58 far 0 57 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 3361 from cnoeabs.peaks (1.96, 2.62, 33.04 ppm; 3.67 A): 3 out of 10 assignments used, quality = 1.00: * HB3 MET 74 + HG3 MET 74 OK 100 100 100 100 2.2-3.0 2.9=100 QE MET 74 + HG3 MET 74 OK 59 59 100 100 2.2-3.4 3.4=100 HB2 LYS 73 + HG3 MET 74 OK 49 100 55 89 4.4-5.7 4.6/7229=35, 3353/1.8=21...(17) HB2 ARG 46 - HG3 MET 74 poor 19 98 55 35 4.3-7.7 3.0/10612=6, 3337/2.9=5...(12) HB3 ARG 46 - HG3 MET 74 poor 13 100 35 36 4.0-7.7 3.0/10612=6, 3337/2.9=6...(12) HB3 LYS 73 - HG3 MET 74 far 0 100 0 - 5.8-7.0 HB VAL 32 - HB VAL 58 far 0 53 0 - 6.0-7.7 HB3 GLU 44 - HG3 MET 74 far 0 61 0 - 7.8-12.2 HB2 GLU 44 - HG3 MET 74 far 0 61 0 - 8.5-11.1 HB2 LYS 47 - HG3 MET 74 far 0 100 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 3362 from cnoeabs.peaks (2.53, 2.62, 33.04 ppm; 2.75 A): 2 out of 4 assignments used, quality = 1.00: * HG2 MET 74 + HG3 MET 74 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 63 + HB VAL 58 OK 51 62 95 87 2.0-4.3 3.0/10233=21...(22) HG3 GLN 72 - HG3 MET 74 far 0 99 0 - 6.3-8.7 HB2 ASP 61 - HB VAL 58 far 0 57 0 - 8.0-8.7 Violated in 0 structures by 0.00 A. Peak 3363 from cnoeabs.peaks (2.62, 2.62, 33.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 MET 74 + HG3 MET 74 OK 100 100 - 100 HB VAL 58 + HB VAL 58 OK 50 50 - 100 Peak 3364 from cnoeabs.peaks (2.00, 2.62, 33.04 ppm; 3.87 A): 2 out of 7 assignments used, quality = 1.00: * QE MET 74 + HG3 MET 74 OK 100 100 100 100 2.2-3.4 3.4=100 HB3 MET 74 + HG3 MET 74 OK 59 59 100 100 2.2-3.0 2.9=100 HB2 ARG 46 - HG3 MET 74 poor 19 82 55 42 4.3-7.7 3340/2.9=8, 3.0/10612=7...(14) HB2 GLU 62 - HB VAL 58 far 0 61 0 - 6.5-8.4 HB3 GLU 44 - HG3 MET 74 far 0 100 0 - 7.8-12.2 HB2 GLU 44 - HG3 MET 74 far 0 100 0 - 8.5-11.1 HB2 LYS 47 - HG3 MET 74 far 0 71 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 3365 from cnoeabs.peaks (8.08, 2.62, 33.04 ppm; 5.97 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 75 + HG3 MET 74 OK 100 100 100 100 3.3-5.5 4.8=100 H LYS 39 + HG3 MET 74 OK 53 100 55 97 5.7-8.6 ~9609=60, ~8951=56...(13) Violated in 0 structures by 0.00 A. Peak 3366 from cnoeabs.peaks (7.75, 2.00, 17.28 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * H MET 74 + QE MET 74 OK 100 100 100 100 2.9-4.0 7228/3.4=75, 7229/3.4=74...(24) H GLU 37 - QE MET 74 far 0 100 0 - 7.4-8.5 H VAL 78 - QE MET 74 far 0 99 0 - 7.5-9.1 H SER 49 - QE MET 74 far 0 91 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 3367 from cnoeabs.peaks (4.40, 2.00, 17.28 ppm; 4.30 A): 1 out of 4 assignments used, quality = 1.00: * HA MET 74 + QE MET 74 OK 100 100 100 100 2.3-4.3 3330/3.4=67, 3.0/3366=57...(18) HA ILE 76 - QE MET 74 far 0 85 0 - 5.9-7.4 HA VAL 32 - QE MET 74 far 0 99 0 - 9.6-11.2 HA GLN 50 - QE MET 74 far 0 100 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3368 from cnoeabs.peaks (2.06, 2.00, 17.28 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.99: * HB2 MET 74 + QE MET 74 OK 95 100 100 95 1.8-3.8 4.2=60, 3.0/3367=42...(16) HB3 GLU 43 + QE MET 74 OK 82 100 90 91 3.9-5.6 3.0/10280=53...(13) HB3 LEU 38 - QE MET 74 far 0 99 0 - 5.2-7.9 HB3 GLU 35 - QE MET 74 far 0 94 0 - 6.1-9.5 HB3 GLU 48 - QE MET 74 far 0 96 0 - 9.8-12.9 Violated in 1 structures by 0.01 A. Peak 3369 from cnoeabs.peaks (1.96, 2.00, 17.28 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: QE MET 74 + QE MET 74 OK 59 59 - 100 Reference assignment not found: HB3 MET 74 - QE MET 74 Peak 3370 from cnoeabs.peaks (2.53, 2.00, 17.28 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HG2 MET 74 + QE MET 74 OK 100 100 100 100 2.3-3.4 3.4=100 HG3 GLN 72 - QE MET 74 far 0 99 0 - 6.0-8.5 HB3 ASP 36 - QE MET 74 far 0 91 0 - 6.7-9.2 HB2 ASP 36 - QE MET 74 far 0 90 0 - 7.3-9.3 Violated in 0 structures by 0.00 A. Peak 3371 from cnoeabs.peaks (2.62, 2.00, 17.28 ppm; 4.29 A): 1 out of 3 assignments used, quality = 1.00: * HG3 MET 74 + QE MET 74 OK 100 100 100 100 2.2-3.4 3.4=100 HB3 TYR 41 - QE MET 74 far 0 96 0 - 7.0-8.3 HB3 ASP 77 - QE MET 74 far 0 98 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 3372 from cnoeabs.peaks (2.00, 2.00, 17.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 74 + QE MET 74 OK 100 100 - 100 Peak 3373 from cnoeabs.peaks (8.08, 2.00, 17.28 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: H LYS 39 + QE MET 74 OK 99 100 100 100 4.0-5.1 3.0/9609=80...(23) * H GLU 75 + QE MET 74 OK 97 100 100 97 4.7-5.4 3.6/3367=65...(8) Violated in 0 structures by 0.00 A. Peak 3374 from cnoeabs.peaks (8.08, 4.00, 56.72 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 75 + HA GLU 75 OK 100 100 100 100 2.3-2.3 2.9=100 Violated in 0 structures by 0.00 A. Peak 3375 from cnoeabs.peaks (4.00, 4.00, 56.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 75 + HA GLU 75 OK 100 100 - 100 Peak 3376 from cnoeabs.peaks (2.13, 4.00, 56.72 ppm; 2.97 A): 3 out of 6 assignments used, quality = 1.00: * HB2 GLU 75 + HA GLU 75 OK 100 100 100 100 3.0-3.0 2.9=100 HG2 GLU 75 + HA GLU 75 OK 50 63 100 79 2.6-2.9 4.0=39, 1.8/3403=25...(13) HG3 GLU 75 + HA GLU 75 OK 47 59 100 80 2.7-3.8 4.0=39, 1.8/3403=25...(15) HB2 GLN 72 - HA GLU 75 far 0 81 0 - 5.0-5.8 HB3 GLN 50 - HA GLU 75 far 0 59 0 - 7.9-15.0 HB3 GLU 69 - HA GLU 75 far 0 99 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 3377 from cnoeabs.peaks (2.19, 4.00, 56.72 ppm; 3.08 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 75 + HA GLU 75 OK 100 100 100 100 2.4-2.5 2.9=100 HG3 GLU 75 + HA GLU 75 OK 84 96 100 87 2.7-3.8 4.0=44, 1.8/3403=27...(18) HG2 GLU 75 + HA GLU 75 OK 81 95 100 86 2.6-2.9 4.0=44, 1.8/3403=27...(17) HB2 GLN 72 - HA GLU 75 far 0 84 0 - 5.0-5.8 HB3 GLN 50 - HA GLU 75 far 0 96 0 - 7.9-15.0 HG2 GLU 43 - HA GLU 75 far 0 100 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 3378 from cnoeabs.peaks (2.17, 4.00, 56.72 ppm; 2.87 A): 4 out of 7 assignments used, quality = 1.00: HB3 GLU 75 + HA GLU 75 OK 93 95 100 98 2.4-2.5 2.9=95, 4.1/7248=27...(13) HG3 GLU 75 + HA GLU 75 OK 82 100 100 82 2.7-3.8 4.0=36, 1.8/3403=23...(19) * HG2 GLU 75 + HA GLU 75 OK 80 100 100 80 2.6-2.9 4.0=36, 1.8/3403=23...(17) HB2 GLU 75 + HA GLU 75 OK 62 63 100 98 3.0-3.0 2.9=95, 4.1/7248=27...(14) HB2 GLN 72 - HA GLU 75 far 0 99 0 - 5.0-5.8 HB3 GLN 50 - HA GLU 75 far 0 100 0 - 7.9-15.0 HG2 GLU 43 - HA GLU 75 far 0 96 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 3379 from cnoeabs.peaks (2.17, 4.00, 56.72 ppm; 2.87 A): 4 out of 7 assignments used, quality = 1.00: HB3 GLU 75 + HA GLU 75 OK 95 96 100 98 2.4-2.5 2.9=95, 4.1/7248=27...(13) * HG3 GLU 75 + HA GLU 75 OK 82 100 100 82 2.7-3.8 4.0=36, 1.8/3403=23...(19) HG2 GLU 75 + HA GLU 75 OK 80 100 100 80 2.6-2.9 4.0=36, 1.8/3403=23...(17) HB2 GLU 75 + HA GLU 75 OK 58 59 100 98 3.0-3.0 2.9=95, 4.1/7248=27...(14) HB2 GLN 72 - HA GLU 75 far 0 99 0 - 5.0-5.8 HB3 GLN 50 - HA GLU 75 far 0 100 0 - 7.9-15.0 HG2 GLU 43 - HA GLU 75 far 0 97 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 3380 from cnoeabs.peaks (7.56, 4.00, 56.72 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + HA GLU 75 OK 100 100 100 100 2.6-3.1 7248=100, 7247/2.9=53...(17) Violated in 0 structures by 0.00 A. Peak 3381 from cnoeabs.peaks (8.08, 2.13, 27.12 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 75 + HB2 GLU 75 OK 100 100 100 100 3.5-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3382 from cnoeabs.peaks (4.00, 2.13, 27.12 ppm; 3.67 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 75 + HB2 GLU 75 OK 100 100 100 100 3.0-3.0 2.9=100 HA LEU 70 - HB2 GLU 75 far 0 93 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 3383 from cnoeabs.peaks (2.13, 2.13, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 75 + HB2 GLU 75 OK 100 100 - 100 Peak 3384 from cnoeabs.peaks (2.19, 2.13, 27.12 ppm; 2.52 A): 3 out of 6 assignments used, quality = 1.00: * HB3 GLU 75 + HB2 GLU 75 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 75 + HB2 GLU 75 OK 75 96 100 78 2.2-2.6 3.0=59, 3403/2.9=12...(12) HG2 GLU 75 + HB2 GLU 75 OK 74 95 100 78 2.9-3.0 3.0=59, 3403/2.9=12...(11) HB3 GLN 50 - HB2 GLU 75 far 0 96 0 - 6.6-13.7 HB2 GLN 72 - HB2 GLU 75 far 0 84 0 - 7.4-8.6 HG2 GLU 43 - HB2 GLU 75 far 0 100 0 - 8.3-11.6 Violated in 0 structures by 0.00 A. Peak 3385 from cnoeabs.peaks (2.17, 2.13, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.63: HB2 GLU 75 + HB2 GLU 75 OK 63 63 - 100 Reference assignment not found: HG2 GLU 75 - HB2 GLU 75 Peak 3386 from cnoeabs.peaks (2.17, 2.13, 27.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.59: HB2 GLU 75 + HB2 GLU 75 OK 59 59 - 100 Reference assignment not found: HG3 GLU 75 - HB2 GLU 75 Peak 3387 from cnoeabs.peaks (7.56, 2.13, 27.12 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + HB2 GLU 75 OK 100 100 100 100 3.8-4.4 4.1=100 Violated in 0 structures by 0.00 A. Peak 3388 from cnoeabs.peaks (8.08, 2.19, 27.12 ppm; 4.38 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 75 + HB3 GLU 75 OK 100 100 100 100 4.1-4.1 4.0=100 H LYS 90 - HG3 PRO 86 poor 17 66 35 76 5.7-6.0 9950/3.8=32...(11) H GLU 17 - HG3 PRO 86 far 0 87 0 - 6.4-8.2 H ILE 15 - HG3 PRO 86 far 0 92 0 - 8.1-8.7 H LYS 13 - HG3 PRO 86 far 0 92 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 3389 from cnoeabs.peaks (4.00, 2.19, 27.12 ppm; 3.40 A): 3 out of 3 assignments used, quality = 1.00: * HA GLU 75 + HB3 GLU 75 OK 100 100 100 100 2.4-2.5 2.9=100 HD2 PRO 86 + HG3 PRO 86 OK 75 75 100 100 2.3-2.3 2.3=100 HD3 PRO 86 + HG3 PRO 86 OK 74 74 100 100 3.0-3.0 2.3=100 Violated in 0 structures by 0.00 A. Peak 3390 from cnoeabs.peaks (2.13, 2.19, 27.12 ppm; 2.42 A): 5 out of 11 assignments used, quality = 1.00: * HB2 GLU 75 + HB3 GLU 75 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 PRO 86 + HG3 PRO 86 OK 85 85 100 100 3.0-3.0 2.3=100 HB3 PRO 86 + HG3 PRO 86 OK 64 64 100 100 2.3-2.3 2.3=100 HG2 GLU 75 + HB3 GLU 75 OK 45 63 100 71 2.3-2.8 3.0=52, ~3384=8...(11) HG3 GLU 75 + HB3 GLU 75 OK 42 59 100 71 2.9-3.0 3.0=52, ~3384=8...(11) HB3 GLN 50 - HB3 GLU 75 far 0 59 0 - 6.2-13.8 HG2 GLU 88 - HG3 PRO 86 far 0 91 0 - 6.2-9.1 HB2 GLN 72 - HB3 GLU 75 far 0 81 0 - 7.1-8.0 HB VAL 83 - HG3 PRO 86 far 0 76 0 - 7.6-8.0 HB3 GLU 16 - HG3 PRO 86 far 0 66 0 - 8.0-11.3 QE MET 21 - HG3 PRO 86 far 0 53 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 3391 from cnoeabs.peaks (2.19, 2.19, 27.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 75 + HB3 GLU 75 OK 100 100 - 100 HG3 PRO 86 + HG3 PRO 86 OK 91 91 - 100 Peak 3392 from cnoeabs.peaks (2.17, 2.19, 27.12 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB3 GLU 75 + HB3 GLU 75 OK 95 95 - 100 HG3 PRO 86 + HG3 PRO 86 OK 76 76 - 100 Reference assignment not found: HG2 GLU 75 - HB3 GLU 75 Peak 3393 from cnoeabs.peaks (2.17, 2.19, 27.12 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HB3 GLU 75 + HB3 GLU 75 OK 96 96 - 100 HG3 PRO 86 + HG3 PRO 86 OK 79 79 - 100 Reference assignment not found: HG3 GLU 75 - HB3 GLU 75 Peak 3394 from cnoeabs.peaks (7.56, 2.19, 27.12 ppm; 5.12 A): 3 out of 3 assignments used, quality = 1.00: * H ILE 76 + HB3 GLU 75 OK 100 100 100 100 4.4-4.5 4.1=100 H GLU 88 + HG3 PRO 86 OK 87 89 100 99 4.8-5.1 7386/7380=75...(13) H LEU 14 + HG3 PRO 86 OK 76 90 85 100 6.2-6.9 3.0/9890=56, ~9887=54...(20) Violated in 0 structures by 0.00 A. Peak 3395 from cnoeabs.peaks (8.08, 2.17, 36.71 ppm; 4.28 A): 4 out of 6 assignments used, quality = 1.00: H GLU 75 + HG3 GLU 75 OK 99 100 100 99 2.7-3.8 5.0=61, 2.9/3403=37...(17) * H GLU 75 + HG2 GLU 75 OK 98 100 100 98 2.7-4.0 5.0=61, 2.9/3403=37...(17) H LYS 39 + HG3 GLU 35 OK 34 48 85 82 3.8-6.7 8954/1.8=24...(14) H LYS 39 + HG2 GLU 35 OK 32 48 80 83 3.7-6.4 8954/1.8=22...(15) H LYS 39 - HG2 GLU 43 far 2 45 5 - 5.7-6.8 H GLU 75 - HG2 GLU 43 far 0 46 0 - 7.1-10.3 Violated in 0 structures by 0.00 A. Peak 3396 from cnoeabs.peaks (4.00, 2.17, 36.71 ppm; 3.70 A): 2 out of 12 assignments used, quality = 1.00: HA GLU 75 + HG3 GLU 75 OK 98 100 100 98 2.7-3.8 4.0=76, 3377/1.8=27...(19) * HA GLU 75 + HG2 GLU 75 OK 97 100 100 97 2.6-2.9 4.0=76, 3377/1.8=28...(19) HA LEU 70 - HG3 GLU 35 far 2 41 5 - 4.9-7.9 HA LEU 70 - HG2 GLU 35 far 0 41 0 - 5.5-9.0 HA LEU 70 - HG2 GLU 43 far 0 39 0 - 7.3-9.9 HA GLU 69 - HG3 GLU 35 far 0 48 0 - 7.5-11.2 HA GLU 69 - HG2 GLU 35 far 0 48 0 - 7.8-12.3 HA LEU 70 - HG3 GLU 75 far 0 93 0 - 8.0-9.5 HA LEU 70 - HG2 GLU 75 far 0 93 0 - 8.5-10.2 HA GLU 75 - HG2 GLU 43 far 0 46 0 - 9.0-12.2 HA GLU 69 - HG3 GLU 75 far 0 100 0 - 9.1-11.8 HA GLU 69 - HG2 GLU 75 far 0 100 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3397 from cnoeabs.peaks (2.13, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 0.85: HG2 GLU 75 + HG2 GLU 75 OK 63 63 - 100 HG3 GLU 75 + HG3 GLU 75 OK 59 59 - 100 Reference assignment not found: HB2 GLU 75 - HG2 GLU 75 Peak 3398 from cnoeabs.peaks (2.19, 2.17, 36.71 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 75 + HG3 GLU 75 OK 96 96 - 100 HG2 GLU 75 + HG2 GLU 75 OK 95 95 - 100 HG2 GLU 35 + HG2 GLU 35 OK 48 48 - 100 HG3 GLU 35 + HG3 GLU 35 OK 48 48 - 100 HG2 GLU 43 + HG2 GLU 43 OK 46 46 - 100 Reference assignment not found: HB3 GLU 75 - HG2 GLU 75 Peak 3399 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 41 41 - 100 HG2 GLU 35 + HG2 GLU 35 OK 37 37 - 100 HG3 GLU 35 + HG3 GLU 35 OK 37 37 - 100 Peak 3400 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 42 42 - 100 HG2 GLU 35 + HG2 GLU 35 OK 39 39 - 100 HG3 GLU 35 + HG3 GLU 35 OK 39 39 - 100 Reference assignment not found: HG3 GLU 75 - HG2 GLU 75 Peak 3401 from cnoeabs.peaks (7.56, 2.17, 36.71 ppm; 4.34 A): 3 out of 6 assignments used, quality = 1.00: H ILE 76 + HG3 GLU 75 OK 98 100 100 98 4.6-5.3 7248/4.0=64, 7247/5.0=46...(13) * H ILE 76 + HG2 GLU 75 OK 97 100 100 97 4.6-5.4 7248/4.0=64, 7247/5.0=46...(13) H LEU 38 + HG2 GLU 35 OK 20 33 80 78 4.5-6.2 12057/4.1=31...(11) H LEU 38 - HG3 GLU 35 poor 20 33 60 - 4.7-7.1 H ILE 76 - HG2 GLU 43 far 0 46 0 - 6.6-10.7 H LEU 38 - HG2 GLU 43 far 0 31 0 - 7.9-9.4 Violated in 5 structures by 0.01 A. Peak 3402 from cnoeabs.peaks (8.08, 2.17, 36.71 ppm; 4.12 A): 4 out of 6 assignments used, quality = 1.00: * H GLU 75 + HG3 GLU 75 OK 98 100 100 98 2.7-3.8 5.0=55, 2.9/3403=35...(17) H GLU 75 + HG2 GLU 75 OK 98 100 100 98 2.7-4.0 5.0=55, 2.9/3403=35...(17) H LYS 39 + HG3 GLU 35 OK 33 52 80 80 3.8-6.7 8954/1.8=22...(14) H LYS 39 + HG2 GLU 35 OK 32 52 75 81 3.7-6.4 8954/1.8=20...(15) H LYS 39 - HG2 GLU 43 far 0 48 0 - 5.7-6.8 H GLU 75 - HG2 GLU 43 far 0 49 0 - 7.1-10.3 Violated in 0 structures by 0.00 A. Peak 3403 from cnoeabs.peaks (4.00, 2.17, 36.71 ppm; 3.60 A): 2 out of 12 assignments used, quality = 1.00: * HA GLU 75 + HG3 GLU 75 OK 97 100 100 97 2.7-3.8 4.0=70, 3377/1.8=26...(19) HA GLU 75 + HG2 GLU 75 OK 96 100 100 96 2.6-2.9 4.0=70, 3377/1.8=27...(19) HA LEU 70 - HG3 GLU 35 far 2 45 5 - 4.9-7.9 HA LEU 70 - HG2 GLU 35 far 0 45 0 - 5.5-9.0 HA LEU 70 - HG2 GLU 43 far 0 41 0 - 7.3-9.9 HA GLU 69 - HG3 GLU 35 far 0 52 0 - 7.5-11.2 HA GLU 69 - HG2 GLU 35 far 0 52 0 - 7.8-12.3 HA LEU 70 - HG3 GLU 75 far 0 93 0 - 8.0-9.5 HA LEU 70 - HG2 GLU 75 far 0 93 0 - 8.5-10.2 HA GLU 75 - HG2 GLU 43 far 0 49 0 - 9.0-12.2 HA GLU 69 - HG3 GLU 75 far 0 100 0 - 9.1-11.8 HA GLU 69 - HG2 GLU 75 far 0 100 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3404 from cnoeabs.peaks (2.13, 2.17, 36.71 ppm; diagonal): 2 out of 2 assignments used, quality = 0.85: HG2 GLU 75 + HG2 GLU 75 OK 63 63 - 100 HG3 GLU 75 + HG3 GLU 75 OK 59 59 - 100 Reference assignment not found: HB2 GLU 75 - HG3 GLU 75 Peak 3405 from cnoeabs.peaks (2.19, 2.17, 36.71 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 75 + HG3 GLU 75 OK 96 96 - 100 HG2 GLU 75 + HG2 GLU 75 OK 95 95 - 100 HG2 GLU 35 + HG2 GLU 35 OK 52 52 - 100 HG3 GLU 35 + HG3 GLU 35 OK 52 52 - 100 HG2 GLU 43 + HG2 GLU 43 OK 49 49 - 100 Reference assignment not found: HB3 GLU 75 - HG3 GLU 75 Peak 3406 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 43 43 - 100 HG2 GLU 35 + HG2 GLU 35 OK 40 40 - 100 HG3 GLU 35 + HG3 GLU 35 OK 40 40 - 100 Reference assignment not found: HG2 GLU 75 - HG3 GLU 75 Peak 3407 from cnoeabs.peaks (2.17, 2.17, 36.71 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 75 + HG3 GLU 75 OK 100 100 - 100 HG2 GLU 75 + HG2 GLU 75 OK 100 100 - 100 HG2 GLU 43 + HG2 GLU 43 OK 45 45 - 100 HG2 GLU 35 + HG2 GLU 35 OK 42 42 - 100 HG3 GLU 35 + HG3 GLU 35 OK 42 42 - 100 Peak 3408 from cnoeabs.peaks (7.56, 2.17, 36.71 ppm; 4.74 A): 4 out of 6 assignments used, quality = 1.00: * H ILE 76 + HG3 GLU 75 OK 99 100 100 99 4.6-5.3 7248/4.0=74, 7247/5.0=55...(13) H ILE 76 + HG2 GLU 75 OK 99 100 100 99 4.6-5.4 7248/4.0=74, 7247/5.0=55...(13) H LEU 38 + HG2 GLU 35 OK 30 35 100 85 4.5-6.2 12057/4.1=37...(11) H LEU 38 + HG3 GLU 35 OK 25 35 85 84 4.7-7.1 12057/4.1=37...(11) H ILE 76 - HG2 GLU 43 far 0 49 0 - 6.6-10.7 H LEU 38 - HG2 GLU 43 far 0 32 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 3409 from cnoeabs.peaks (7.56, 4.43, 58.48 ppm; 4.02 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 76 + HA ILE 76 OK 100 100 100 100 2.9-2.9 3.0=100 H LEU 14 - HA SER 9 far 0 86 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 3410 from cnoeabs.peaks (4.43, 4.43, 58.48 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 76 + HA ILE 76 OK 100 100 - 100 HA SER 9 + HA SER 9 OK 88 88 - 100 Peak 3411 from cnoeabs.peaks (1.64, 4.43, 58.48 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * HB ILE 76 + HA ILE 76 OK 100 100 100 100 3.0-3.0 3.0=100 HB ILE 52 - HA ILE 76 far 0 84 0 - 6.3-8.4 HG3 LYS 47 - HA ILE 76 far 0 90 0 - 8.5-11.8 HB3 ARG 79 - HA ILE 76 far 0 99 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3412 from cnoeabs.peaks (0.88, 4.43, 58.48 ppm; 3.58 A): 1 out of 9 assignments used, quality = 1.00: * QG2 ILE 76 + HA ILE 76 OK 100 100 100 100 2.0-2.4 3.2=100 HG13 ILE 7 - HA SER 9 far 0 85 0 - 6.0-6.6 HG13 ILE 8 - HA SER 9 far 0 87 0 - 6.4-6.9 QG1 VAL 32 - HA SER 9 far 0 70 0 - 7.5-8.9 QD1 LEU 38 - HA SER 9 far 0 72 0 - 7.7-11.9 QD1 LEU 2 - HA ILE 76 far 0 100 0 - 7.9-9.7 QD1 LEU 38 - HA ILE 76 far 0 88 0 - 8.9-11.8 QD1 LEU 103 - HA ILE 76 far 0 93 0 - 9.4-17.1 QD2 LEU 64 - HA SER 9 far 0 74 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 3413 from cnoeabs.peaks (1.09, 4.43, 58.48 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 76 + HA ILE 76 OK 100 100 100 100 2.9-3.4 3.8=100 HG2 LYS 82 - HA SER 9 far 0 67 0 - 7.8-9.1 Violated in 0 structures by 0.00 A. Peak 3414 from cnoeabs.peaks (1.44, 4.43, 58.48 ppm; 4.35 A): 2 out of 10 assignments used, quality = 1.00: * HG13 ILE 76 + HA ILE 76 OK 100 100 100 100 2.6-2.9 3.8=100 QB ALA 71 + HA ILE 76 OK 74 84 90 98 4.8-6.0 10834/3.0=42, ~9649=38...(16) HG13 ILE 52 - HA ILE 76 poor 18 91 20 - 5.3-8.9 HG12 ILE 7 - HA SER 9 far 0 83 0 - 6.0-6.6 HD2 LYS 53 - HA ILE 76 far 0 88 0 - 7.0-9.2 HG2 LYS 53 - HA ILE 76 far 0 82 0 - 7.4-10.9 HG2 LYS 12 - HA SER 9 far 0 85 0 - 8.0-11.6 HG2 LYS 13 - HA SER 9 far 0 87 0 - 8.3-9.1 HG3 LYS 53 - HA ILE 76 far 0 73 0 - 9.1-10.9 HD2 LYS 82 - HA SER 9 far 0 72 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 3415 from cnoeabs.peaks (0.80, 4.43, 58.48 ppm; 3.67 A): 4 out of 17 assignments used, quality = 1.00: * QD1 ILE 76 + HA ILE 76 OK 100 100 100 100 3.8-4.0 4.2=68, 3452/3.2=62...(22) QG2 ILE 7 + HA SER 9 OK 82 88 95 99 4.9-5.2 8265/3.0=49, 8267/3.0=48...(26) QG2 ILE 8 + HA SER 9 OK 78 82 100 95 3.5-4.0 304/2.9=33, ~6103=27...(19) QG2 ILE 52 + HA ILE 76 OK 28 90 45 69 3.9-7.6 3.1/8317=21, 3431/3.2=14...(17) QD2 LEU 42 - HA ILE 76 far 0 70 0 - 5.6-7.4 QG1 VAL 54 - HA ILE 76 far 0 59 0 - 6.6-7.9 QG2 ILE 15 - HA SER 9 far 0 85 0 - 6.8-7.6 QG2 VAL 32 - HA SER 9 far 0 60 0 - 7.1-8.0 QD2 LEU 38 - HA SER 9 far 0 73 0 - 7.4-9.5 QD2 LEU 2 - HA ILE 76 far 0 99 0 - 7.8-10.8 QD2 LEU 103 - HA ILE 76 far 0 84 0 - 7.9-15.9 QD1 LEU 57 - HA SER 9 far 0 66 0 - 8.5-9.4 QD2 LEU 57 - HA SER 9 far 0 87 0 - 8.6-9.6 QD1 LEU 6 - HA SER 9 far 0 61 0 - 8.9-10.7 QD1 LEU 6 - HA ILE 76 far 0 77 0 - 9.0-11.6 QD2 LEU 38 - HA ILE 76 far 0 90 0 - 9.3-13.1 QD2 LEU 70 - HA ILE 76 far 0 100 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3416 from cnoeabs.peaks (8.89, 4.43, 58.48 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + HA ILE 76 OK 100 100 100 100 2.2-2.4 7262=100, 7264/3.2=42...(13) Violated in 0 structures by 0.00 A. Peak 3417 from cnoeabs.peaks (7.56, 1.64, 40.34 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + HB ILE 76 OK 100 100 100 100 2.5-3.0 7254=100, 7255/2.1=70...(18) Violated in 0 structures by 0.00 A. Peak 3418 from cnoeabs.peaks (4.43, 1.64, 40.34 ppm; 3.74 A): 1 out of 3 assignments used, quality = 1.00: * HA ILE 76 + HB ILE 76 OK 100 100 100 100 3.0-3.0 3.0=100 HA MET 74 - HB ILE 76 far 0 85 0 - 5.9-6.9 HA GLN 50 - HB ILE 76 far 0 77 0 - 7.6-11.9 Violated in 0 structures by 0.00 A. Peak 3419 from cnoeabs.peaks (1.64, 1.64, 40.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 76 + HB ILE 76 OK 100 100 - 100 Peak 3420 from cnoeabs.peaks (0.88, 1.64, 40.34 ppm; 3.24 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 76 + HB ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 38 - HB ILE 76 far 0 88 0 - 6.5-9.3 QD1 LEU 2 - HB ILE 76 far 0 100 0 - 8.3-10.4 QD1 LEU 103 - HB ILE 76 far 0 93 0 - 8.6-17.3 Violated in 0 structures by 0.00 A. Peak 3421 from cnoeabs.peaks (1.09, 1.64, 40.34 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + HB ILE 76 OK 100 100 100 100 2.4-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 3422 from cnoeabs.peaks (1.44, 1.64, 40.34 ppm; 3.47 A): 2 out of 9 assignments used, quality = 1.00: * HG13 ILE 76 + HB ILE 76 OK 100 100 100 100 3.0-3.0 3.0=100 QB ALA 71 + HB ILE 76 OK 81 84 100 96 2.7-3.8 10834=41, 2.1/9648=38...(25) HG13 ILE 52 - HB ILE 76 far 0 91 0 - 5.7-9.9 HD2 LYS 53 - HB ILE 76 far 0 88 0 - 7.5-9.6 HG LEU 38 - HB ILE 76 far 0 88 0 - 8.4-11.2 HG3 LYS 39 - HB ILE 76 far 0 100 0 - 8.4-10.9 HG2 LYS 53 - HB ILE 76 far 0 82 0 - 8.4-10.4 HB2 LEU 38 - HB ILE 76 far 0 93 0 - 8.6-11.5 HG3 LYS 53 - HB ILE 76 far 0 73 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 3423 from cnoeabs.peaks (0.80, 1.64, 40.34 ppm; 3.56 A): 2 out of 11 assignments used, quality = 1.00: * QD1 ILE 76 + HB ILE 76 OK 100 100 100 100 2.3-2.5 3.2=100 QD2 LEU 42 + HB ILE 76 OK 67 70 100 96 3.3-4.9 10599/3.0=28...(30) QG1 VAL 54 - HB ILE 76 far 9 59 15 - 4.8-6.4 QG2 ILE 52 - HB ILE 76 far 4 90 5 - 4.2-8.2 QD2 LEU 38 - HB ILE 76 far 0 90 0 - 6.8-10.6 QD1 LEU 6 - HB ILE 76 far 0 77 0 - 6.8-9.4 QD2 LEU 70 - HB ILE 76 far 0 100 0 - 7.4-9.4 QD2 LEU 103 - HB ILE 76 far 0 84 0 - 7.5-16.4 QD1 LEU 70 - HB ILE 76 far 0 96 0 - 7.6-9.2 QD2 LEU 2 - HB ILE 76 far 0 99 0 - 7.8-11.8 QG2 VAL 32 - HB ILE 76 far 0 75 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 3424 from cnoeabs.peaks (8.89, 1.64, 40.34 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + HB ILE 76 OK 100 100 100 100 3.1-3.9 7263=100, 7264/2.1=76...(17) Violated in 0 structures by 0.00 A. Peak 3425 from cnoeabs.peaks (7.56, 0.88, 17.57 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 76 + QG2 ILE 76 OK 100 100 100 100 3.8-3.9 7255=100, 7254/2.1=80...(20) Violated in 0 structures by 0.00 A. Peak 3426 from cnoeabs.peaks (4.43, 0.88, 17.57 ppm; 3.50 A): 1 out of 5 assignments used, quality = 1.00: * HA ILE 76 + QG2 ILE 76 OK 100 100 100 100 2.0-2.4 3.2=100 HA GLN 50 - QG2 ILE 76 far 4 77 5 - 4.9-8.0 HA MET 74 - QG2 ILE 76 far 0 85 0 - 6.3-6.6 HA GLU 48 - QG2 ILE 76 far 0 100 0 - 6.5-8.9 HA LEU 2 - QG2 ILE 76 far 0 68 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 3427 from cnoeabs.peaks (1.64, 0.88, 17.57 ppm; 3.19 A): 1 out of 14 assignments used, quality = 1.00: * HB ILE 76 + QG2 ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 HB ILE 52 - QG2 ILE 76 far 8 84 10 - 4.2-5.6 HG3 LYS 47 - QG2 ILE 76 far 0 90 0 - 6.3-9.1 HB3 ARG 79 - QG2 ILE 76 far 0 99 0 - 7.2-9.5 HD3 LYS 47 - QG2 ILE 76 far 0 63 0 - 7.3-9.9 HB3 LEU 6 - QG2 ILE 76 far 0 100 0 - 7.5-9.5 HD2 LYS 47 - QG2 ILE 76 far 0 65 0 - 7.8-10.5 HB3 LYS 40 - QG2 ILE 76 far 0 59 0 - 9.1-10.5 HD3 LYS 39 - QG2 ILE 76 far 0 100 0 - 9.2-10.9 HB2 LYS 40 - QG2 ILE 76 far 0 100 0 - 9.5-10.9 HD3 LYS 68 - QG2 ILE 76 far 0 100 0 - 9.5-12.3 HD2 LYS 68 - QG2 ILE 76 far 0 99 0 - 9.5-12.5 HD2 LYS 39 - QG2 ILE 76 far 0 99 0 - 9.6-11.7 HG2 LYS 68 - QG2 ILE 76 far 0 100 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 3428 from cnoeabs.peaks (0.88, 0.88, 17.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 76 + QG2 ILE 76 OK 100 100 - 100 Peak 3429 from cnoeabs.peaks (1.09, 0.88, 17.57 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + QG2 ILE 76 OK 100 100 100 100 3.2-3.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3430 from cnoeabs.peaks (1.44, 0.88, 17.57 ppm; 3.47 A): 3 out of 12 assignments used, quality = 1.00: * HG13 ILE 76 + QG2 ILE 76 OK 100 100 100 100 2.2-2.5 3.2=100 QB ALA 71 + QG2 ILE 76 OK 82 84 100 97 3.8-4.7 10834/2.1=33, ~9648=26...(30) HG13 ILE 52 + QG2 ILE 76 OK 51 91 70 80 3.1-6.3 2.1/10640=27...(23) HD2 LYS 53 - QG2 ILE 76 far 0 88 0 - 5.1-7.3 HG2 LYS 53 - QG2 ILE 76 far 0 82 0 - 5.4-8.2 HG3 LYS 53 - QG2 ILE 76 far 0 73 0 - 6.8-8.3 HG3 LYS 39 - QG2 ILE 76 far 0 100 0 - 7.9-9.8 HG LEU 38 - QG2 ILE 76 far 0 88 0 - 8.2-10.6 HB2 LEU 38 - QG2 ILE 76 far 0 93 0 - 8.3-10.9 HD3 LYS 40 - QG2 ILE 76 far 0 79 0 - 9.6-12.3 QB ALA 22 - QG2 ILE 76 far 0 100 0 - 9.9-11.0 HD2 LYS 40 - QG2 ILE 76 far 0 81 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3431 from cnoeabs.peaks (0.80, 0.88, 17.57 ppm; 3.01 A): 4 out of 14 assignments used, quality = 1.00: * QD1 ILE 76 + QG2 ILE 76 OK 99 100 100 99 1.9-2.2 3452=92, 3449/7255=24...(29) QG2 ILE 52 + QG2 ILE 76 OK 54 90 75 80 2.1-5.2 3.1/10640=16...(29) QD2 LEU 42 + QG2 ILE 76 OK 51 70 80 92 2.7-4.8 3.1/10883=23...(35) QG1 VAL 54 + QG2 ILE 76 OK 43 59 90 80 3.4-4.5 2.1/11070=51...(17) QD2 LEU 2 - QG2 ILE 76 far 0 99 0 - 5.2-8.2 QD1 LEU 6 - QG2 ILE 76 far 0 77 0 - 5.5-7.8 QD2 LEU 38 - QG2 ILE 76 far 0 90 0 - 6.4-9.8 QD2 LEU 103 - QG2 ILE 76 far 0 84 0 - 6.7-12.8 QD2 LEU 70 - QG2 ILE 76 far 0 100 0 - 7.4-9.4 QD1 LEU 70 - QG2 ILE 76 far 0 96 0 - 7.5-9.1 QG2 VAL 32 - QG2 ILE 76 far 0 75 0 - 8.4-9.2 QD2 LEU 57 - QG2 ILE 76 far 0 100 0 - 8.8-10.1 QD1 LEU 27 - QG2 ILE 76 far 0 73 0 - 9.0-10.4 QD1 LEU 57 - QG2 ILE 76 far 0 82 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 3432 from cnoeabs.peaks (8.89, 0.88, 17.57 ppm; 3.88 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 77 + QG2 ILE 76 OK 100 100 100 100 1.9-2.3 7264=100, 7263/2.1=67...(24) H VAL 5 - QG2 ILE 76 far 0 79 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 3433 from cnoeabs.peaks (7.56, 1.09, 26.75 ppm; 3.82 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.0-2.4 7256=100, 7254/3.0=62...(21) H GLU 88 + HG2 ARG 91 OK 30 93 35 91 4.6-6.1 3441/1.8=26, ~4024=24...(18) Violated in 0 structures by 0.00 A. Peak 3434 from cnoeabs.peaks (4.43, 1.09, 26.75 ppm; 4.39 A): 2 out of 6 assignments used, quality = 1.00: * HA ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.9-3.4 3.8=100 HA MET 74 + HG12 ILE 76 OK 85 85 100 100 3.8-4.5 3.0/9664=63, 3.0/9591=42...(25) HA GLN 50 - HG12 ILE 76 far 0 77 0 - 7.0-12.4 HA HIS 106 - HG2 ARG 91 far 0 84 0 - 8.0-24.2 HA MET 21 - HG2 ARG 91 far 0 88 0 - 8.3-10.8 HA GLU 48 - HG12 ILE 76 far 0 100 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3435 from cnoeabs.peaks (1.64, 1.09, 26.75 ppm; 3.53 A): 2 out of 13 assignments used, quality = 1.00: * HB ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.4-2.6 3.0=100 HB3 ARG 91 + HG2 ARG 91 OK 55 55 100 100 2.4-2.7 2.8=100 HD2 LYS 94 - HG2 ARG 91 poor 5 85 25 26 4.0-10.8 4231/4.0=6, 4240/9631=3...(7) HG3 LYS 47 - HG12 ILE 76 far 0 90 0 - 7.7-11.0 HB ILE 52 - HG12 ILE 76 far 0 84 0 - 8.5-10.2 HD3 LYS 39 - HG12 ILE 76 far 0 100 0 - 8.8-10.6 HD3 LYS 73 - HG12 ILE 76 far 0 91 0 - 8.9-10.6 HD2 LYS 73 - HG12 ILE 76 far 0 88 0 - 9.1-10.3 HD2 LYS 39 - HG12 ILE 76 far 0 99 0 - 9.2-11.7 HG3 LYS 20 - HG2 ARG 91 far 0 70 0 - 9.3-13.2 HD3 LYS 47 - HG12 ILE 76 far 0 63 0 - 9.4-12.1 HD2 LYS 47 - HG12 ILE 76 far 0 65 0 - 9.5-12.7 HD3 LYS 20 - HG2 ARG 91 far 0 70 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 3436 from cnoeabs.peaks (0.88, 1.09, 26.75 ppm; 3.90 A): 1 out of 4 assignments used, quality = 1.00: * QG2 ILE 76 + HG12 ILE 76 OK 100 100 100 100 3.2-3.2 3.2=100 QD1 LEU 38 - HG12 ILE 76 far 0 88 0 - 6.8-10.2 QD1 LEU 103 - HG2 ARG 91 far 0 86 0 - 7.9-16.7 QD1 LEU 2 - HG12 ILE 76 far 0 100 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 3437 from cnoeabs.peaks (1.09, 1.09, 26.75 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 76 + HG12 ILE 76 OK 100 100 - 100 HG2 ARG 91 + HG2 ARG 91 OK 93 93 - 100 Peak 3438 from cnoeabs.peaks (1.44, 1.09, 26.75 ppm; 2.56 A): 2 out of 11 assignments used, quality = 1.00: * HG13 ILE 76 + HG12 ILE 76 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 91 + HG2 ARG 91 OK 89 89 100 100 1.8-1.8 1.8=100 QB ALA 71 - HG12 ILE 76 far 13 84 15 - 3.9-5.2 HG13 ILE 52 - HG12 ILE 76 far 0 91 0 - 6.8-10.8 HG3 LYS 39 - HG12 ILE 76 far 0 100 0 - 7.7-10.4 HG LEU 38 - HG12 ILE 76 far 0 88 0 - 9.1-12.1 HD2 LYS 53 - HG12 ILE 76 far 0 88 0 - 9.6-11.6 HG2 LYS 20 - HG2 ARG 91 far 0 84 0 - 9.6-13.7 QB ALA 22 - HG2 ARG 91 far 0 96 0 - 9.6-11.5 HB2 LEU 38 - HG12 ILE 76 far 0 93 0 - 9.6-12.2 HG2 LYS 53 - HG12 ILE 76 far 0 82 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 3439 from cnoeabs.peaks (0.80, 1.09, 26.75 ppm; 3.36 A): 1 out of 15 assignments used, quality = 1.00: * QD1 ILE 76 + HG12 ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 42 - HG12 ILE 76 far 7 70 10 - 4.5-6.1 QG2 ILE 52 - HG12 ILE 76 far 0 90 0 - 5.6-9.2 QD1 ILE 93 - HG2 ARG 91 far 0 68 0 - 6.6-7.8 QG1 VAL 54 - HG12 ILE 76 far 0 59 0 - 6.6-8.0 QD1 LEU 57 - HG2 ARG 91 far 0 75 0 - 7.5-9.3 QD2 LEU 70 - HG12 ILE 76 far 0 100 0 - 7.7-9.5 QD2 LEU 38 - HG12 ILE 76 far 0 90 0 - 7.7-11.5 QD1 LEU 70 - HG12 ILE 76 far 0 96 0 - 7.8-9.0 QD1 LEU 6 - HG12 ILE 76 far 0 77 0 - 8.2-10.7 QD2 LEU 103 - HG2 ARG 91 far 0 77 0 - 8.8-16.7 QD2 LEU 2 - HG12 ILE 76 far 0 99 0 - 9.0-12.7 QD2 LEU 103 - HG12 ILE 76 far 0 84 0 - 9.2-18.1 QD2 LEU 57 - HG2 ARG 91 far 0 95 0 - 9.2-9.7 QD1 LEU 27 - HG2 ARG 91 far 0 66 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 3440 from cnoeabs.peaks (8.89, 1.09, 26.75 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + HG12 ILE 76 OK 100 100 100 100 4.8-5.2 7265=100, 7264/3.2=90...(10) Violated in 0 structures by 0.00 A. Peak 3441 from cnoeabs.peaks (7.56, 1.44, 26.75 ppm; 3.96 A): 3 out of 5 assignments used, quality = 1.00: * H ILE 76 + HG13 ILE 76 OK 100 100 100 100 3.1-3.7 7256/1.8=85, 4.5=66...(20) H GLU 88 + HG3 ARG 91 OK 79 86 100 92 4.1-4.4 ~4024=27, 6386/2.8=24...(20) H LEU 38 + HG LEU 38 OK 38 39 100 99 1.8-4.6 5.3=42, 1634/3.0=38...(31) H LYS 24 - HG LEU 29 far 0 80 0 - 7.3-9.7 H ILE 76 - HG LEU 38 far 0 58 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 3442 from cnoeabs.peaks (4.43, 1.44, 26.75 ppm; 4.35 A): 2 out of 9 assignments used, quality = 1.00: * HA ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.6-2.9 3.8=100 HA MET 74 + HG13 ILE 76 OK 85 85 100 99 4.8-5.4 ~9664=42, 3450/2.1=38...(26) HA GLN 50 - HG13 ILE 76 far 4 77 5 - 5.7-10.9 HA VAL 32 - HG LEU 38 far 3 51 5 - 5.3-7.4 HA MET 21 - HG LEU 29 far 0 76 0 - 6.9-9.8 HA HIS 106 - HG3 ARG 91 far 0 77 0 - 7.8-24.1 HA GLU 48 - HG13 ILE 76 far 0 100 0 - 8.3-10.2 HA MET 21 - HG3 ARG 91 far 0 81 0 - 8.5-10.1 HA VAL 32 - HG LEU 29 far 0 76 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 3443 from cnoeabs.peaks (1.64, 1.44, 26.75 ppm; 3.31 A): 2 out of 27 assignments used, quality = 1.00: * HB ILE 76 + HG13 ILE 76 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 ARG 91 + HG3 ARG 91 OK 49 49 100 100 2.4-3.0 2.8=100 HD2 LYS 94 - HG3 ARG 91 far 4 78 5 - 4.7-10.2 HB3 LEU 6 - HG LEU 38 far 0 57 0 - 4.8-8.6 HB3 LEU 6 - HG LEU 29 far 0 85 0 - 5.4-8.2 HD3 LYS 39 - HG LEU 38 far 0 58 0 - 5.6-9.1 HD2 LYS 39 - HG LEU 38 far 0 55 0 - 5.6-8.4 HB3 LYS 40 - HG LEU 38 far 0 28 0 - 6.3-8.9 HB2 LYS 40 - HG LEU 38 far 0 58 0 - 6.4-9.2 HG3 LYS 47 - HG13 ILE 76 far 0 90 0 - 6.4-9.6 HB ILE 52 - HG13 ILE 76 far 0 84 0 - 6.9-8.9 HD2 LYS 20 - HG LEU 29 far 0 54 0 - 7.2-11.2 HG2 LYS 68 - HG LEU 38 far 0 58 0 - 7.7-11.7 HG3 LYS 20 - HG LEU 29 far 0 59 0 - 7.7-10.1 HD3 LYS 20 - HG LEU 29 far 0 59 0 - 7.8-11.5 HD3 LYS 47 - HG13 ILE 76 far 0 63 0 - 8.3-10.8 HD2 LYS 47 - HG13 ILE 76 far 0 65 0 - 8.4-11.3 HB ILE 76 - HG LEU 38 far 0 58 0 - 8.4-11.2 HG3 LYS 20 - HG3 ARG 91 far 0 63 0 - 8.6-13.3 HD2 LYS 20 - HG3 ARG 91 far 0 58 0 - 8.7-12.8 HD2 LYS 68 - HG LEU 38 far 0 56 0 - 8.9-13.1 HD2 LYS 73 - HG LEU 38 far 0 45 0 - 8.9-11.3 HD3 LYS 73 - HG LEU 38 far 0 47 0 - 9.1-12.5 HD3 LYS 68 - HG LEU 38 far 0 57 0 - 9.3-12.2 HD3 LYS 39 - HG13 ILE 76 far 0 100 0 - 9.7-11.6 HD2 LYS 94 - HG LEU 29 far 0 73 0 - 9.7-13.5 HD3 LYS 20 - HG3 ARG 91 far 0 63 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 3444 from cnoeabs.peaks (0.88, 1.44, 26.75 ppm; 3.56 A): 3 out of 14 assignments used, quality = 1.00: * QG2 ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.2-2.5 3.2=100 QD1 LEU 38 + HG LEU 38 OK 45 45 100 100 2.1-2.1 2.1=100 QG1 VAL 32 + HG LEU 38 OK 42 44 100 96 2.1-4.0 8944=36, 8944/3.0=26...(27) HG13 ILE 8 - HG LEU 38 poor 11 57 20 - 4.0-7.1 HG13 ILE 7 - HG LEU 29 far 0 82 0 - 5.7-6.6 QD1 LEU 103 - HG3 ARG 91 far 0 79 0 - 7.6-16.8 QD1 LEU 38 - HG13 ILE 76 far 0 88 0 - 7.9-10.9 QD1 LEU 2 - HG13 ILE 76 far 0 100 0 - 7.9-10.2 QD1 LEU 38 - HG LEU 29 far 0 69 0 - 8.0-13.0 QD2 LEU 64 - HG LEU 38 far 0 47 0 - 8.2-11.7 QG2 ILE 76 - HG LEU 38 far 0 58 0 - 8.2-10.6 HG13 ILE 8 - HG LEU 29 far 0 85 0 - 8.4-11.5 QG1 VAL 32 - HG LEU 29 far 0 68 0 - 8.4-10.5 QD1 LEU 103 - HG LEU 29 far 0 74 0 - 10.0-19.5 Violated in 0 structures by 0.00 A. Peak 3445 from cnoeabs.peaks (1.09, 1.44, 26.75 ppm; 2.66 A): 2 out of 3 assignments used, quality = 1.00: * HG12 ILE 76 + HG13 ILE 76 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 ARG 91 + HG3 ARG 91 OK 86 86 100 100 1.8-1.8 1.8=100 HG12 ILE 76 - HG LEU 38 far 0 58 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 3446 from cnoeabs.peaks (1.44, 1.44, 26.75 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG13 ILE 76 + HG13 ILE 76 OK 100 100 - 100 HG LEU 29 + HG LEU 29 OK 85 85 - 100 HG3 ARG 91 + HG3 ARG 91 OK 82 82 - 100 HG LEU 38 + HG LEU 38 OK 45 45 - 100 Peak 3447 from cnoeabs.peaks (0.80, 1.44, 26.75 ppm; 3.16 A): 6 out of 40 assignments used, quality = 1.00: * QD1 ILE 76 + HG13 ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 38 + HG LEU 38 OK 46 46 100 100 2.1-2.1 2.1=100 QG2 ILE 7 + HG LEU 29 OK 38 85 50 89 4.0-5.3 10501/2.1=28, 253=28...(22) QD1 LEU 70 + HG LEU 38 OK 30 52 95 61 2.0-5.1 ~12070=10, 1652=9...(21) QG2 VAL 32 + HG LEU 38 OK 25 37 85 80 2.0-4.8 2.1/8944=27...(15) QG2 ILE 15 + HG LEU 29 OK 24 83 45 65 4.0-5.7 10501/2.1=19, ~8689=13...(17) QD1 ILE 93 - HG LEU 29 poor 16 57 55 51 2.5-5.5 10327=16, 10501/2.1=16...(12) QD2 LEU 42 - HG LEU 38 poor 13 33 40 - 3.9-6.6 QG2 ILE 52 - HG13 ILE 76 far 4 90 5 - 4.6-8.0 QD2 LEU 70 - HG LEU 38 far 3 57 5 - 3.2-6.8 QD1 LEU 6 - HG LEU 38 far 2 38 5 - 2.5-6.9 QG2 ILE 8 - HG LEU 38 far 0 53 0 - 4.7-6.6 QD2 LEU 57 - HG LEU 29 far 0 84 0 - 4.8-7.2 QD2 LEU 42 - HG13 ILE 76 far 0 70 0 - 5.0-6.2 QD1 LEU 6 - HG LEU 29 far 0 59 0 - 5.1-8.0 QG1 VAL 54 - HG LEU 38 far 0 28 0 - 5.7-8.8 QD1 LEU 27 - HG LEU 29 far 0 56 0 - 5.9-7.5 QG1 VAL 54 - HG LEU 29 far 0 44 0 - 6.0-8.6 QG2 VAL 32 - HG LEU 29 far 0 57 0 - 6.0-8.1 QD1 ILE 93 - HG3 ARG 91 far 0 62 0 - 6.2-6.7 QG1 VAL 54 - HG13 ILE 76 far 0 59 0 - 6.2-7.5 QD1 ILE 76 - HG LEU 38 far 0 58 0 - 6.7-8.8 QD1 LEU 57 - HG3 ARG 91 far 0 68 0 - 6.8-8.5 QG2 ILE 7 - HG LEU 38 far 0 58 0 - 7.1-10.0 QD1 LEU 57 - HG LEU 29 far 0 64 0 - 7.2-8.7 QD2 LEU 2 - HG13 ILE 76 far 0 99 0 - 7.7-11.4 QD2 LEU 38 - HG LEU 29 far 0 71 0 - 7.9-12.1 QD2 LEU 42 - HG LEU 29 far 0 52 0 - 8.2-10.8 QD1 LEU 6 - HG13 ILE 76 far 0 77 0 - 8.2-10.5 QD2 LEU 57 - HG LEU 38 far 0 57 0 - 8.4-11.3 QD2 LEU 57 - HG3 ARG 91 far 0 89 0 - 8.5-9.0 QD2 LEU 38 - HG13 ILE 76 far 0 90 0 - 8.5-12.0 QD2 LEU 70 - HG13 ILE 76 far 0 100 0 - 8.6-10.7 QD2 LEU 103 - HG3 ARG 91 far 0 70 0 - 8.7-17.2 QD1 LEU 70 - HG13 ILE 76 far 0 96 0 - 8.8-10.1 QG2 ILE 8 - HG LEU 29 far 0 79 0 - 9.0-10.7 QD1 LEU 57 - HG LEU 38 far 0 41 0 - 9.1-13.0 QD2 LEU 103 - HG13 ILE 76 far 0 84 0 - 9.7-17.6 QD1 LEU 27 - HG3 ARG 91 far 0 60 0 - 9.9-11.1 QG2 ILE 15 - HG LEU 38 far 0 56 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 3448 from cnoeabs.peaks (8.89, 1.44, 26.75 ppm; 4.89 A): 3 out of 5 assignments used, quality = 1.00: * H ASP 77 + HG13 ILE 76 OK 100 100 100 100 4.3-4.6 7264/3.2=82, 7262/3.8=81...(12) H ARG 19 + HG LEU 29 OK 81 81 100 100 3.3-5.8 8693/2.1=50, 8691/2.1=39...(27) H VAL 5 + HG LEU 29 OK 56 60 95 98 4.4-6.4 8172/3.6=54...(12) H VAL 5 - HG LEU 38 far 0 39 0 - 9.6-13.5 H ARG 19 - HG3 ARG 91 far 0 86 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 3449 from cnoeabs.peaks (7.56, 0.80, 13.65 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 76 + QD1 ILE 76 OK 100 100 100 100 3.3-3.9 7256/2.1=92, 4.7=85...(17) H LEU 38 - QD1 ILE 76 far 0 79 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 3450 from cnoeabs.peaks (4.43, 0.80, 13.65 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * HA ILE 76 + QD1 ILE 76 OK 100 100 100 100 3.8-4.0 4.2=85, 3.2/3452=70...(22) HA MET 74 + QD1 ILE 76 OK 85 85 100 99 3.8-4.5 ~9664=31, 4.0/10880=28...(27) HA GLN 50 - QD1 ILE 76 far 0 77 0 - 6.7-10.5 HA GLU 48 - QD1 ILE 76 far 0 100 0 - 7.6-9.3 Violated in 0 structures by 0.00 A. Peak 3451 from cnoeabs.peaks (1.64, 0.80, 13.65 ppm; 3.50 A): 1 out of 16 assignments used, quality = 1.00: * HB ILE 76 + QD1 ILE 76 OK 100 100 100 100 2.3-2.5 3.2=100 HG3 LYS 47 - QD1 ILE 76 far 0 90 0 - 5.4-8.1 HD3 LYS 39 - QD1 ILE 76 far 0 100 0 - 6.4-8.1 HD3 LYS 47 - QD1 ILE 76 far 0 63 0 - 6.5-8.9 HB ILE 52 - QD1 ILE 76 far 0 84 0 - 6.5-7.9 HD2 LYS 47 - QD1 ILE 76 far 0 65 0 - 6.8-9.2 HD2 LYS 39 - QD1 ILE 76 far 0 99 0 - 6.9-8.9 HB2 LYS 40 - QD1 ILE 76 far 0 100 0 - 7.3-8.3 HB3 LYS 40 - QD1 ILE 76 far 0 59 0 - 7.3-8.2 HB3 LEU 6 - QD1 ILE 76 far 0 100 0 - 7.7-9.4 HD2 LYS 73 - QD1 ILE 76 far 0 88 0 - 8.1-9.1 HD3 LYS 73 - QD1 ILE 76 far 0 91 0 - 8.1-9.2 HD2 LYS 68 - QD1 ILE 76 far 0 99 0 - 9.3-12.0 HB3 ARG 79 - QD1 ILE 76 far 0 99 0 - 9.3-10.7 HG2 LYS 68 - QD1 ILE 76 far 0 100 0 - 9.5-11.3 HD3 LYS 68 - QD1 ILE 76 far 0 100 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 3452 from cnoeabs.peaks (0.88, 0.80, 13.65 ppm; 3.10 A): 1 out of 5 assignments used, quality = 0.99: * QG2 ILE 76 + QD1 ILE 76 OK 99 100 100 99 1.9-2.2 3.2=87, 7255/3449=25...(32) QD1 LEU 38 - QD1 ILE 76 far 0 88 0 - 4.9-7.5 QD1 LEU 2 - QD1 ILE 76 far 0 100 0 - 6.5-8.8 QG1 VAL 32 - QD1 ILE 76 far 0 87 0 - 7.7-8.6 QD1 LEU 103 - QD1 ILE 76 far 0 93 0 - 8.9-16.1 Violated in 0 structures by 0.00 A. Peak 3453 from cnoeabs.peaks (1.09, 0.80, 13.65 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 76 + QD1 ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3454 from cnoeabs.peaks (1.44, 0.80, 13.65 ppm; 3.15 A): 2 out of 11 assignments used, quality = 1.00: * HG13 ILE 76 + QD1 ILE 76 OK 100 100 100 100 2.1-2.1 2.1=100 QB ALA 71 + QD1 ILE 76 OK 76 84 100 91 3.5-4.4 12176=32, 10834/3.2=21...(25) HG3 LYS 39 - QD1 ILE 76 far 0 100 0 - 5.1-7.4 HG13 ILE 52 - QD1 ILE 76 far 0 91 0 - 5.2-8.2 HB2 LEU 38 - QD1 ILE 76 far 0 93 0 - 6.7-8.8 HG LEU 38 - QD1 ILE 76 far 0 88 0 - 6.7-8.8 HD2 LYS 53 - QD1 ILE 76 far 0 88 0 - 7.9-10.0 HD3 LYS 40 - QD1 ILE 76 far 0 79 0 - 8.0-9.9 HD2 LYS 40 - QD1 ILE 76 far 0 81 0 - 8.2-9.9 HG2 LYS 53 - QD1 ILE 76 far 0 82 0 - 8.4-10.4 HG3 LYS 53 - QD1 ILE 76 far 0 73 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3455 from cnoeabs.peaks (0.80, 0.80, 13.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 76 + QD1 ILE 76 OK 100 100 - 100 Peak 3456 from cnoeabs.peaks (8.89, 0.80, 13.65 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 77 + QD1 ILE 76 OK 100 100 100 100 4.6-5.0 7264/3452=88...(14) H VAL 5 - QD1 ILE 76 far 0 79 0 - 8.8-10.0 Violated in 0 structures by 0.00 A. Peak 3457 from cnoeabs.peaks (8.89, 4.57, 54.07 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + HA ASP 77 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3458 from cnoeabs.peaks (4.57, 4.57, 54.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 77 + HA ASP 77 OK 100 100 - 100 Peak 3459 from cnoeabs.peaks (3.21, 4.57, 54.07 ppm; 3.86 A): 1 out of 2 assignments used, quality = 1.00: * HB2 ASP 77 + HA ASP 77 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 ARG 46 - HA ASP 77 far 0 96 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 3460 from cnoeabs.peaks (2.63, 4.57, 54.07 ppm; 3.41 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + HA ASP 77 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 MET 74 - HA ASP 77 far 0 98 0 - 7.0-9.9 Violated in 0 structures by 0.00 A. Peak 3461 from cnoeabs.peaks (7.75, 4.57, 54.07 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + HA ASP 77 OK 100 100 100 100 2.2-2.4 7274=100, 7276/3.0=30...(9) H SER 49 - HA ASP 77 far 0 79 0 - 8.1-11.2 H MET 74 - HA ASP 77 far 0 99 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 3462 from cnoeabs.peaks (8.89, 3.21, 40.23 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + HB2 ASP 77 OK 100 100 100 100 2.4-3.6 7269=100, 7270/1.8=77...(11) Violated in 0 structures by 0.00 A. Peak 3463 from cnoeabs.peaks (4.57, 3.21, 40.23 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 77 + HB2 ASP 77 OK 100 100 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3464 from cnoeabs.peaks (3.21, 3.21, 40.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 77 + HB2 ASP 77 OK 100 100 - 100 Peak 3465 from cnoeabs.peaks (2.63, 3.21, 40.23 ppm; 2.78 A): 1 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + HB2 ASP 77 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 MET 74 - HB2 ASP 77 far 0 98 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 3466 from cnoeabs.peaks (7.75, 3.21, 40.23 ppm; 4.69 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + HB2 ASP 77 OK 100 100 100 100 4.1-4.7 4.4=100 H SER 49 - HB2 ASP 77 far 0 79 0 - 6.5-9.5 H MET 74 - HB2 ASP 77 far 0 99 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 3467 from cnoeabs.peaks (8.89, 2.63, 40.23 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 77 + HB3 ASP 77 OK 100 100 100 100 2.1-3.5 7270=100, 7269/1.8=72...(12) Violated in 0 structures by 0.00 A. Peak 3468 from cnoeabs.peaks (4.57, 2.63, 40.23 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 77 + HB3 ASP 77 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3469 from cnoeabs.peaks (3.21, 2.63, 40.23 ppm; 2.74 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ASP 77 + HB3 ASP 77 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 106 - HB3 ASP 65 far 0 85 0 - 7.7-26.1 HD3 ARG 46 - HB3 ASP 77 far 0 96 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 3470 from cnoeabs.peaks (2.63, 2.63, 40.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 77 + HB3 ASP 77 OK 100 100 - 100 HB3 ASP 65 + HB3 ASP 65 OK 99 99 - 100 Peak 3471 from cnoeabs.peaks (7.75, 2.63, 40.23 ppm; 4.19 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 78 + HB3 ASP 77 OK 100 100 100 100 4.2-4.7 7276=100, 7274/3.0=85...(10) H LEU 64 + HB3 ASP 65 OK 55 61 95 95 4.9-5.8 4.6/7056=52...(14) H SER 49 - HB3 ASP 77 far 0 79 0 - 5.8-9.3 H ASN 60 - HB3 ASP 65 far 0 85 0 - 8.4-9.4 Violated in 16 structures by 0.12 A. Peak 3472 from cnoeabs.peaks (7.75, 5.19, 58.80 ppm; 3.98 A): 1 out of 3 assignments used, quality = 1.00: * H VAL 78 + HA VAL 78 OK 100 100 100 100 2.9-2.9 3.0=100 H SER 49 - HA VAL 78 far 0 79 0 - 9.4-11.9 H MET 74 - HA VAL 78 far 0 99 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 3473 from cnoeabs.peaks (5.19, 5.19, 58.80 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + HA VAL 78 OK 100 100 - 100 Peak 3474 from cnoeabs.peaks (1.78, 5.19, 58.80 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HB VAL 78 + HA VAL 78 OK 100 100 100 100 2.2-2.4 3.0=100 HB ILE 56 - HA VAL 78 far 0 95 0 - 6.5-8.0 HB2 LEU 42 - HA VAL 78 far 0 82 0 - 7.4-9.2 HG3 ARG 46 - HA VAL 78 far 0 100 0 - 8.9-12.3 HB2 GLU 104 - HA VAL 78 far 0 79 0 - 9.2-15.3 Violated in 0 structures by 0.00 A. Peak 3475 from cnoeabs.peaks (0.72, 5.19, 58.80 ppm; 3.15 A): 3 out of 14 assignments used, quality = 1.00: * QG2 VAL 78 + HA VAL 78 OK 100 100 100 100 3.1-3.2 3.2=95, 4.3/7284=33...(21) QG1 VAL 78 + HA VAL 78 OK 86 87 100 100 2.5-2.7 3.2=95, 4.3/7284=33...(18) QD1 ILE 56 + HA VAL 78 OK 58 97 85 70 3.5-6.9 ~9686=14, 2.1/9689=12...(16) HG13 ILE 56 - HA VAL 78 far 0 100 0 - 4.7-7.8 QD1 ILE 52 - HA VAL 78 far 0 82 0 - 5.3-7.5 QD1 LEU 42 - HA VAL 78 far 0 71 0 - 5.5-7.3 QD2 LEU 6 - HA VAL 78 far 0 68 0 - 6.5-7.8 QG1 VAL 5 - HA VAL 78 far 0 100 0 - 7.5-8.5 QD2 LEU 27 - HA VAL 78 far 0 99 0 - 8.6-9.5 QD1 ILE 8 - HA VAL 78 far 0 98 0 - 8.6-10.0 QD1 LEU 64 - HA VAL 78 far 0 92 0 - 8.8-9.3 QG1 VAL 58 - HA VAL 78 far 0 100 0 - 9.3-10.0 QG2 ILE 93 - HA VAL 78 far 0 79 0 - 9.4-10.9 HG3 ARG 81 - HA VAL 78 far 0 94 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3476 from cnoeabs.peaks (0.74, 5.19, 58.80 ppm; 3.15 A): 5 out of 16 assignments used, quality = 1.00: * QG1 VAL 78 + HA VAL 78 OK 100 100 100 100 2.5-2.7 3.2=95, 4.3/7284=33...(19) QG1 VAL 54 + HA VAL 78 OK 87 96 95 96 3.5-4.8 2.1/10348=50...(25) QG2 VAL 78 + HA VAL 78 OK 86 87 100 100 3.1-3.2 3.2=95, 4.3/7284=33...(20) QD1 ILE 56 + HA VAL 78 OK 35 61 85 66 3.5-6.9 ~9686=14, 2.1/9689=12...(16) QD2 LEU 42 + HA VAL 78 OK 24 91 45 58 3.8-6.4 1945/3.0=15...(19) HG13 ILE 56 - HA VAL 78 far 0 75 0 - 4.7-7.8 QG2 ILE 52 - HA VAL 78 far 0 71 0 - 4.9-8.5 QD1 LEU 6 - HA VAL 78 far 0 85 0 - 5.7-9.1 QG1 VAL 5 - HA VAL 78 far 0 93 0 - 7.5-8.5 QD1 LEU 27 - HA VAL 78 far 0 88 0 - 8.4-9.8 QD2 LEU 27 - HA VAL 78 far 0 96 0 - 8.6-9.5 QD1 ILE 8 - HA VAL 78 far 0 65 0 - 8.6-10.0 QD1 LEU 64 - HA VAL 78 far 0 100 0 - 8.8-9.3 QG1 VAL 58 - HA VAL 78 far 0 85 0 - 9.3-10.0 QG2 ILE 93 - HA VAL 78 far 0 100 0 - 9.4-10.9 HG3 ARG 81 - HA VAL 78 far 0 100 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3477 from cnoeabs.peaks (8.50, 5.19, 58.80 ppm; 3.11 A): 2 out of 5 assignments used, quality = 1.00: * H ARG 79 + HA VAL 78 OK 100 100 100 100 2.4-2.5 7284=100, 7285/3.0=26...(21) H VAL 54 + HA VAL 78 OK 93 99 100 93 2.2-2.9 11101=61, 6896/10348=36...(18) H LYS 53 - HA VAL 78 far 0 73 0 - 6.0-7.1 H LEU 2 - HA VAL 78 far 0 99 0 - 9.8-12.1 H ASN 51 - HA VAL 78 far 0 68 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 3478 from cnoeabs.peaks (7.75, 1.78, 35.29 ppm; 3.83 A): 1 out of 4 assignments used, quality = 1.00: * H VAL 78 + HB VAL 78 OK 100 100 100 100 3.7-3.9 7278=100, 3484/2.1=47...(13) H MET 74 - HB VAL 78 far 0 99 0 - 8.6-9.2 HE ARG 30 - HB VAL 78 far 0 68 0 - 9.8-14.8 H SER 49 - HB VAL 78 far 0 79 0 - 10.0-13.1 Violated in 1 structures by 0.00 A. Peak 3479 from cnoeabs.peaks (5.19, 1.78, 35.29 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HA VAL 78 + HB VAL 78 OK 100 100 100 100 2.2-2.4 3.0=100 HA VAL 54 + HB VAL 78 OK 67 71 95 98 4.4-5.9 3.0/11104=47...(29) Violated in 0 structures by 0.00 A. Peak 3480 from cnoeabs.peaks (1.78, 1.78, 35.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 78 + HB VAL 78 OK 100 100 - 100 Peak 3481 from cnoeabs.peaks (0.72, 1.78, 35.29 ppm; 2.88 A): 4 out of 14 assignments used, quality = 1.00: * QG2 VAL 78 + HB VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 QG1 VAL 78 + HB VAL 78 OK 87 87 100 100 2.1-2.1 2.1=100 QD1 ILE 56 + HB VAL 78 OK 62 97 95 67 1.8-5.2 2.1/9686=19, 2.1/2587=13...(16) HG13 ILE 56 + HB VAL 78 OK 36 100 55 66 3.4-5.9 1.8/9686=19, 2587=14...(18) QD1 LEU 42 - HB VAL 78 poor 14 71 35 56 3.8-5.6 2.1/1945=14, 1941/2.1=9...(18) QD2 LEU 6 - HB VAL 78 far 0 68 0 - 5.2-6.9 QD1 ILE 52 - HB VAL 78 far 0 82 0 - 6.0-8.1 QG1 VAL 5 - HB VAL 78 far 0 100 0 - 7.1-8.0 QD1 ILE 8 - HB VAL 78 far 0 98 0 - 7.1-8.3 QD1 LEU 64 - HB VAL 78 far 0 92 0 - 7.4-8.7 QG1 VAL 58 - HB VAL 78 far 0 100 0 - 7.8-8.7 QD2 LEU 27 - HB VAL 78 far 0 99 0 - 9.6-10.5 HG3 ARG 81 - HB VAL 78 far 0 94 0 - 9.6-10.7 QG2 ILE 93 - HB VAL 78 far 0 79 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3482 from cnoeabs.peaks (0.74, 1.78, 35.29 ppm; 2.94 A): 6 out of 16 assignments used, quality = 1.00: * QG1 VAL 78 + HB VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 78 + HB VAL 78 OK 87 87 100 100 2.1-2.1 2.1=100 QG1 VAL 54 + HB VAL 78 OK 85 96 95 93 2.4-4.9 2.1/11104=32, 3492=28...(25) QD2 LEU 42 + HB VAL 78 OK 54 91 90 66 2.2-4.6 1945=16, 1948/2.1=9...(20) QD1 ILE 56 + HB VAL 78 OK 37 61 95 63 1.8-5.2 2.1/9686=20, 2.1/2587=14...(14) HG13 ILE 56 + HB VAL 78 OK 27 75 55 64 3.4-5.9 1.8/9686=20, 2587=10...(17) QD1 LEU 6 - HB VAL 78 far 0 85 0 - 4.4-7.6 QG2 ILE 52 - HB VAL 78 far 0 71 0 - 5.5-9.8 QG1 VAL 5 - HB VAL 78 far 0 93 0 - 7.1-8.0 QD1 ILE 8 - HB VAL 78 far 0 65 0 - 7.1-8.3 QD1 LEU 64 - HB VAL 78 far 0 100 0 - 7.4-8.7 QG1 VAL 58 - HB VAL 78 far 0 85 0 - 7.8-8.7 QD1 LEU 27 - HB VAL 78 far 0 88 0 - 9.2-10.4 QD2 LEU 27 - HB VAL 78 far 0 96 0 - 9.6-10.5 HG3 ARG 81 - HB VAL 78 far 0 100 0 - 9.6-10.7 QG2 ILE 93 - HB VAL 78 far 0 100 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 3483 from cnoeabs.peaks (8.50, 1.78, 35.29 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 79 + HB VAL 78 OK 100 100 100 100 2.3-2.7 4.4=79, 7284/3.0=78...(20) H VAL 54 + HB VAL 78 OK 97 99 100 98 3.6-4.9 11101/3.0=66...(14) H LYS 53 - HB VAL 78 far 0 73 0 - 7.3-8.8 H ALA 67 - HB VAL 78 far 0 93 0 - 8.5-10.1 Violated in 0 structures by 0.00 A. Peak 3484 from cnoeabs.peaks (7.75, 0.72, 21.10 ppm; 3.38 A): 2 out of 12 assignments used, quality = 0.99: * H VAL 78 + QG2 VAL 78 OK 98 100 100 98 2.3-2.8 7278/2.1=64, 4.0=61...(19) H VAL 78 + QG1 VAL 78 OK 66 68 100 98 2.1-2.4 7278/2.1=64, 4.0=61...(18) H MET 74 - QG1 VAL 78 far 0 66 0 - 5.4-6.0 H MET 74 - QG2 VAL 78 far 0 99 0 - 6.2-6.6 H LYS 20 - QG1 VAL 5 far 0 40 0 - 6.6-8.0 H SER 49 - QG1 VAL 78 far 0 46 0 - 6.8-9.4 HE ARG 30 - QG1 VAL 5 far 0 44 0 - 7.3-9.6 HE ARG 30 - QG1 VAL 78 far 0 38 0 - 8.6-13.1 H LEU 64 - QG2 VAL 78 far 0 63 0 - 9.0-9.6 H SER 49 - QG2 VAL 78 far 0 79 0 - 9.4-11.8 HE ARG 30 - QG2 VAL 78 far 0 68 0 - 9.8-13.9 H VAL 78 - QG1 VAL 5 far 0 76 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3485 from cnoeabs.peaks (5.19, 0.72, 21.10 ppm; 3.42 A): 3 out of 6 assignments used, quality = 1.00: * HA VAL 78 + QG2 VAL 78 OK 100 100 100 100 3.1-3.2 3.2=100 HA VAL 78 + QG1 VAL 78 OK 68 68 100 100 2.5-2.7 3.2=100 HA VAL 54 + QG1 VAL 78 OK 21 41 55 94 4.6-5.2 3479/2.1=23, ~11104=23...(25) HA VAL 54 - QG1 VAL 5 far 0 47 0 - 5.0-6.0 HA VAL 54 - QG2 VAL 78 far 0 71 0 - 5.7-6.8 HA VAL 78 - QG1 VAL 5 far 0 76 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 3486 from cnoeabs.peaks (1.78, 0.72, 21.10 ppm; 2.96 A): 3 out of 25 assignments used, quality = 1.00: * HB VAL 78 + QG2 VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 78 + QG1 VAL 78 OK 68 68 100 100 2.1-2.1 2.1=100 HB ILE 93 + QG1 VAL 5 OK 27 61 60 74 4.2-4.8 ~10322=24, ~8176=14...(13) HB2 LEU 42 - QG1 VAL 78 poor 19 49 40 - 3.7-5.1 HB ILE 56 - QG2 VAL 78 poor 17 95 30 61 3.9-5.4 ~9686=12, 2.9/2582=10...(20) HB2 LEU 42 - QG2 VAL 78 far 0 82 0 - 5.3-6.5 HG3 ARG 46 - QG1 VAL 78 far 0 66 0 - 5.5-8.0 HB ILE 56 - QG1 VAL 5 far 0 67 0 - 5.7-6.7 HB ILE 56 - QG1 VAL 78 far 0 60 0 - 5.8-7.3 HG3 ARG 19 - QG1 VAL 5 far 0 64 0 - 6.1-7.6 HB2 LYS 90 - QG1 VAL 5 far 0 48 0 - 6.5-8.3 HB2 GLU 28 - QG1 VAL 5 far 0 40 0 - 6.8-7.6 HB2 LYS 39 - QG1 VAL 78 far 0 59 0 - 6.9-9.2 HB VAL 78 - QG1 VAL 5 far 0 76 0 - 7.1-8.0 HB2 LYS 39 - QG2 VAL 78 far 0 94 0 - 7.4-10.0 HG3 ARG 46 - QG2 VAL 78 far 0 100 0 - 7.8-10.2 HB2 GLU 104 - QG2 VAL 78 far 0 79 0 - 7.8-14.4 HB2 GLU 88 - QG1 VAL 5 far 0 53 0 - 8.4-10.0 HB2 LYS 66 - QG2 VAL 78 far 0 97 0 - 8.4-9.6 HB2 GLU 104 - QG1 VAL 5 far 0 53 0 - 9.0-15.3 HB3 GLU 63 - QG2 VAL 78 far 0 100 0 - 9.1-10.5 HB2 LYS 66 - QG1 VAL 78 far 0 62 0 - 9.3-10.9 HB2 GLU 28 - QG1 VAL 78 far 0 34 0 - 9.6-10.7 HB3 GLU 63 - QG1 VAL 5 far 0 76 0 - 9.8-11.5 HB2 GLU 104 - QG1 VAL 78 far 0 46 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 3487 from cnoeabs.peaks (0.72, 0.72, 21.10 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG2 VAL 78 + QG2 VAL 78 OK 100 100 - 100 QG1 VAL 5 + QG1 VAL 5 OK 75 75 - 100 QG1 VAL 78 + QG1 VAL 78 OK 52 52 - 100 Peak 3488 from cnoeabs.peaks (0.74, 0.72, 21.10 ppm; diagonal): 3 out of 3 assignments used, quality = 0.99: QG2 VAL 78 + QG2 VAL 78 OK 87 87 - 100 QG1 VAL 78 + QG1 VAL 78 OK 68 68 - 100 QG1 VAL 5 + QG1 VAL 5 OK 65 65 - 100 Reference assignment not found: QG1 VAL 78 - QG2 VAL 78 Peak 3489 from cnoeabs.peaks (8.50, 0.72, 21.10 ppm; 3.59 A): 4 out of 15 assignments used, quality = 1.00: * H ARG 79 + QG2 VAL 78 OK 98 100 100 98 2.3-2.9 7284/3.2=61, 4.3=60...(23) H ARG 79 + QG1 VAL 78 OK 66 68 100 97 3.8-4.0 7284/3.2=61, 4.3=60...(18) H VAL 54 + QG1 VAL 78 OK 58 65 100 88 3.4-4.4 11101/3.2=50...(16) H VAL 54 + QG2 VAL 78 OK 50 99 55 92 4.7-5.5 11101/3.2=50...(19) H LYS 53 - QG1 VAL 78 far 0 42 0 - 6.0-6.9 H ALA 67 - QG2 VAL 78 far 0 93 0 - 6.4-7.3 H ARG 79 - QG1 VAL 5 far 0 76 0 - 6.4-7.5 H VAL 54 - QG1 VAL 5 far 0 74 0 - 6.7-8.0 H THR 31 - QG1 VAL 5 far 0 76 0 - 7.2-7.6 H VAL 32 - QG1 VAL 5 far 0 65 0 - 7.2-8.1 H ALA 67 - QG1 VAL 78 far 0 58 0 - 7.7-8.9 H LYS 53 - QG2 VAL 78 far 0 73 0 - 7.9-8.9 H ASN 51 - QG1 VAL 78 far 0 38 0 - 8.5-9.9 H LYS 53 - QG1 VAL 5 far 0 48 0 - 8.6-9.6 H LEU 2 - QG1 VAL 78 far 0 65 0 - 8.9-11.3 Violated in 0 structures by 0.00 A. Peak 3490 from cnoeabs.peaks (7.75, 0.74, 21.24 ppm; 3.52 A): 2 out of 13 assignments used, quality = 1.00: * H VAL 78 + QG1 VAL 78 OK 99 100 100 99 2.1-2.4 4.0=69, 7278/2.1=68...(18) H VAL 78 + QG2 VAL 78 OK 67 68 100 98 2.3-2.8 4.0=69, 7278/2.1=68...(18) HE ARG 30 - QG1 VAL 54 far 2 49 5 - 4.8-9.6 H VAL 78 - QG1 VAL 54 far 0 83 0 - 5.3-6.9 H MET 74 - QG1 VAL 78 far 0 99 0 - 5.4-6.0 H MET 74 - QG2 VAL 78 far 0 66 0 - 6.2-6.6 H SER 49 - QG1 VAL 78 far 0 79 0 - 6.8-9.4 H SER 49 - QG1 VAL 54 far 0 59 0 - 8.1-9.8 H MET 74 - QG1 VAL 54 far 0 81 0 - 8.6-10.2 HE ARG 30 - QG1 VAL 78 far 0 68 0 - 8.6-13.1 H LEU 64 - QG2 VAL 78 far 0 36 0 - 9.0-9.6 H SER 49 - QG2 VAL 78 far 0 46 0 - 9.4-11.8 HE ARG 30 - QG2 VAL 78 far 0 38 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3491 from cnoeabs.peaks (5.19, 0.74, 21.24 ppm; 3.12 A): 4 out of 6 assignments used, quality = 1.00: * HA VAL 78 + QG1 VAL 78 OK 100 100 100 100 2.5-2.7 3.2=93, 7284/4.3=32...(20) HA VAL 78 + QG1 VAL 54 OK 76 83 95 95 3.5-4.8 10348/2.1=49...(25) HA VAL 78 + QG2 VAL 78 OK 67 68 100 99 3.1-3.2 3.2=93, 7284/4.3=32...(21) HA VAL 54 + QG1 VAL 54 OK 52 53 100 98 2.0-2.4 3.2=93, 6902/4.1=25...(15) HA VAL 54 - QG1 VAL 78 far 0 71 0 - 4.6-5.2 HA VAL 54 - QG2 VAL 78 far 0 41 0 - 5.7-6.8 Violated in 0 structures by 0.00 A. Peak 3492 from cnoeabs.peaks (1.78, 0.74, 21.24 ppm; 2.91 A): 3 out of 25 assignments used, quality = 1.00: * HB VAL 78 + QG1 VAL 78 OK 100 100 100 100 2.1-2.1 2.1=100 HB VAL 78 + QG1 VAL 54 OK 72 83 95 92 2.4-4.9 11104/2.1=31, 3482=21...(23) HB VAL 78 + QG2 VAL 78 OK 68 68 100 100 2.1-2.1 2.1=100 HB2 LEU 42 - QG1 VAL 78 poor 18 82 35 62 3.7-5.1 1.8/10653=16...(16) HB ILE 56 - QG2 VAL 78 poor 15 60 25 - 3.9-5.4 HB ILE 56 - QG1 VAL 54 far 0 75 0 - 4.8-6.3 HB2 LEU 42 - QG1 VAL 54 far 0 62 0 - 4.9-6.5 HB2 GLU 28 - QG1 VAL 54 far 0 44 0 - 4.9-7.0 HB2 LEU 42 - QG2 VAL 78 far 0 49 0 - 5.3-6.5 HG3 ARG 46 - QG1 VAL 78 far 0 100 0 - 5.5-8.0 HB ILE 56 - QG1 VAL 78 far 0 95 0 - 5.8-7.3 HB2 LYS 39 - QG1 VAL 78 far 0 94 0 - 6.9-9.2 HG3 ARG 46 - QG1 VAL 54 far 0 82 0 - 7.2-10.2 HB2 LYS 39 - QG2 VAL 78 far 0 59 0 - 7.4-10.0 HG3 ARG 46 - QG2 VAL 78 far 0 66 0 - 7.8-10.2 HB2 GLU 104 - QG2 VAL 78 far 0 46 0 - 7.8-14.4 HB2 LYS 66 - QG2 VAL 78 far 0 62 0 - 8.4-9.6 HB2 LYS 39 - QG1 VAL 54 far 0 74 0 - 8.6-10.0 HB3 GLU 63 - QG2 VAL 78 far 0 68 0 - 9.1-10.5 HB ILE 93 - QG1 VAL 54 far 0 68 0 - 9.3-10.4 HB2 LYS 66 - QG1 VAL 78 far 0 97 0 - 9.3-10.9 HB2 GLU 28 - QG1 VAL 78 far 0 61 0 - 9.6-10.7 HG3 ARG 19 - QG1 VAL 54 far 0 71 0 - 9.6-12.2 HB2 GLU 104 - QG1 VAL 78 far 0 79 0 - 9.8-15.3 HB2 LYS 66 - QG1 VAL 54 far 0 77 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3493 from cnoeabs.peaks (0.72, 0.74, 21.24 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: QG1 VAL 78 + QG1 VAL 78 OK 87 87 - 100 QG2 VAL 78 + QG2 VAL 78 OK 68 68 - 100 Reference assignment not found: QG2 VAL 78 - QG1 VAL 78 Peak 3494 from cnoeabs.peaks (0.74, 0.74, 21.24 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QG1 VAL 78 + QG1 VAL 78 OK 100 100 - 100 QG1 VAL 54 + QG1 VAL 54 OK 76 76 - 100 QG2 VAL 78 + QG2 VAL 78 OK 52 52 - 100 Peak 3495 from cnoeabs.peaks (8.50, 0.74, 21.24 ppm; 3.46 A): 5 out of 18 assignments used, quality = 1.00: * H ARG 79 + QG1 VAL 78 OK 97 100 100 97 3.8-4.0 7284/3.2=57, 4.3=54...(19) H VAL 54 + QG1 VAL 78 OK 92 99 100 93 3.4-4.4 11101/3.2=47, 6898=43...(17) H VAL 54 + QG1 VAL 54 OK 80 81 100 98 3.9-4.0 6896/2.1=69, 6897/2.1=65...(15) H ARG 79 + QG2 VAL 78 OK 65 68 100 96 2.3-2.9 7284/3.2=57, 4.3=54...(19) H ARG 79 + QG1 VAL 54 OK 62 83 95 78 3.7-5.3 2487/2.1=28, 7287=20...(12) H VAL 54 - QG2 VAL 78 poor 13 65 20 - 4.7-5.5 H LYS 53 - QG1 VAL 54 far 0 54 0 - 5.1-6.1 H LYS 53 - QG1 VAL 78 far 0 73 0 - 6.0-6.9 H ALA 67 - QG2 VAL 78 far 0 58 0 - 6.4-7.3 H THR 31 - QG1 VAL 54 far 0 83 0 - 7.6-9.1 H ALA 67 - QG1 VAL 78 far 0 93 0 - 7.7-8.9 H LYS 53 - QG2 VAL 78 far 0 42 0 - 7.9-8.9 H ALA 67 - QG1 VAL 54 far 0 72 0 - 8.1-9.8 H VAL 32 - QG1 VAL 54 far 0 72 0 - 8.2-9.7 H ASN 51 - QG1 VAL 78 far 0 68 0 - 8.5-9.9 H LEU 2 - QG1 VAL 54 far 0 80 0 - 8.6-10.4 H LEU 2 - QG1 VAL 78 far 0 99 0 - 8.9-11.3 H ASN 51 - QG1 VAL 54 far 0 49 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 3496 from cnoeabs.peaks (8.50, 4.71, 54.12 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 79 + HA ARG 79 OK 100 100 100 100 2.9-2.9 3.0=100 H VAL 54 + HA ARG 79 OK 83 99 100 84 5.8-6.8 3505/3.0=40, 3514/3.0=39...(10) H ALA 67 - HA ARG 79 far 0 93 0 - 8.9-10.8 H LYS 53 - HA ARG 79 far 0 73 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 3497 from cnoeabs.peaks (4.71, 4.71, 54.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 79 + HA ARG 79 OK 100 100 - 100 Peak 3498 from cnoeabs.peaks (1.60, 4.71, 54.12 ppm; 5.99 A): 3 out of 3 assignments used, quality = 1.00: * HB2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 103 + HA ARG 79 OK 41 94 80 54 2.5-16.2 4493/4.1=16, 4493/4.1=16...(9) HB2 LEU 103 + HA ARG 79 OK 24 96 60 42 3.9-14.0 4477/4.1=8, ~4500=8...(10) Violated in 0 structures by 0.00 A. Peak 3499 from cnoeabs.peaks (1.65, 4.71, 54.12 ppm; 6.50 A): 4 out of 7 assignments used, quality = 1.00: * HB3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.5-3.0 3.0=100 HD3 LYS 68 + HA ARG 79 OK 64 100 100 64 4.2-8.0 9730/9711=27...(4) HG2 LYS 68 + HA ARG 79 OK 51 98 65 80 4.6-8.6 10256/9711=55...(5) HD2 LYS 68 + HA ARG 79 OK 27 100 65 41 4.8-9.0 10261/9711=24...(3) HB3 LYS 53 - HA ARG 79 poor 18 75 80 31 7.0-10.3 4.4/3496=29 HB ILE 76 - HA ARG 79 far 0 99 0 - 8.0-8.8 HB3 LEU 6 - HA ARG 79 far 0 100 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 3500 from cnoeabs.peaks (1.53, 4.71, 54.12 ppm; 3.94 A): 3 out of 7 assignments used, quality = 1.00: HG3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.7-4.2 4.1=91, 1.8/3524=40...(30) * HG2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.7-4.1 4.1=91, 1.8/3533=40...(31) HG12 ILE 56 + HA ARG 79 OK 39 100 50 78 4.4-7.0 12206/9711=28...(17) HB3 LEU 103 - HA ARG 79 far 10 99 10 - 4.7-13.9 HD3 LYS 53 - HA ARG 79 far 0 94 0 - 6.7-9.9 HG LEU 6 - HA ARG 79 far 0 99 0 - 8.5-11.7 HG LEU 57 - HA ARG 79 far 0 71 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3501 from cnoeabs.peaks (1.53, 4.71, 54.12 ppm; 3.94 A): 3 out of 7 assignments used, quality = 1.00: * HG3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.7-4.2 4.1=91, 1.8/3524=40...(30) HG2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.7-4.1 4.1=91, 1.8/3533=40...(31) HG12 ILE 56 + HA ARG 79 OK 39 100 50 78 4.4-7.0 12206/9711=28...(16) HB3 LEU 103 - HA ARG 79 far 10 98 10 - 4.7-13.9 HD3 LYS 53 - HA ARG 79 far 0 95 0 - 6.7-9.9 HG LEU 6 - HA ARG 79 far 0 99 0 - 8.5-11.7 HG LEU 57 - HA ARG 79 far 0 70 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 3502 from cnoeabs.peaks (3.07, 4.71, 54.12 ppm; 4.37 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.0-5.3 5.3=55, 1.8/3551=47...(29) HD3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.0-5.1 5.3=55, 1.8/3551=43...(27) HB3 HIS 105 - HA ARG 79 far 5 100 5 - 4.5-16.7 HB3 HIS 106 - HA ARG 79 far 0 94 0 - 6.9-16.9 HB2 TRP 92 - HA ARG 79 far 0 79 0 - 9.1-11.7 HB2 PHE 96 - HA ARG 79 far 0 82 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3503 from cnoeabs.peaks (3.07, 4.71, 54.12 ppm; 4.37 A): 2 out of 6 assignments used, quality = 1.00: HD2 ARG 79 + HA ARG 79 OK 100 100 100 100 2.0-5.3 5.3=55, 1.8/3551=47...(29) * HD3 ARG 79 + HA ARG 79 OK 100 100 100 100 2.0-5.1 5.3=55, 1.8/3551=43...(27) HB3 HIS 105 - HA ARG 79 far 5 99 5 - 4.5-16.7 HB3 HIS 106 - HA ARG 79 far 0 92 0 - 6.9-16.9 HB2 TRP 92 - HA ARG 79 far 0 82 0 - 9.1-11.7 HB2 PHE 96 - HA ARG 79 far 0 85 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 3504 from cnoeabs.peaks (8.42, 4.71, 54.12 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H THR 80 + HA ARG 79 OK 100 100 100 100 2.1-2.2 3.6=100 Violated in 0 structures by 0.00 A. Peak 3505 from cnoeabs.peaks (8.50, 1.60, 31.20 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 79 + HB2 ARG 79 OK 100 100 100 100 3.1-4.0 4.1=100 H VAL 54 + HB2 ARG 79 OK 74 99 95 78 5.0-7.2 3514/1.8=34...(11) H LYS 53 - HB2 ARG 79 far 0 73 0 - 9.1-11.4 Violated in 0 structures by 0.00 A. Peak 3506 from cnoeabs.peaks (4.71, 1.60, 31.20 ppm; 4.10 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 82 - HB2 ARG 79 far 0 99 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3507 from cnoeabs.peaks (1.60, 1.60, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 79 + HB2 ARG 79 OK 100 100 - 100 Peak 3508 from cnoeabs.peaks (1.65, 1.60, 31.20 ppm; 3.29 A): 1 out of 7 assignments used, quality = 1.00: * HB3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 53 - HB2 ARG 79 far 0 75 0 - 5.6-9.0 HD3 LYS 68 - HB2 ARG 79 far 0 100 0 - 6.2-10.2 HD2 LYS 68 - HB2 ARG 79 far 0 100 0 - 6.6-11.0 HG2 LYS 68 - HB2 ARG 79 far 0 98 0 - 6.7-11.0 HB3 LEU 6 - HB2 ARG 79 far 0 100 0 - 7.8-10.5 HB ILE 76 - HB2 ARG 79 far 0 99 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 3509 from cnoeabs.peaks (1.53, 1.60, 31.20 ppm; 3.15 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-2.8 3.0=100 HB3 LEU 103 - HB2 ARG 79 poor 20 99 20 - 4.0-11.6 HD3 LYS 53 - HB2 ARG 79 far 0 94 0 - 5.0-8.4 HG12 ILE 56 - HB2 ARG 79 far 0 100 0 - 5.2-8.4 HG LEU 57 - HB2 ARG 79 far 0 71 0 - 7.5-11.7 HG LEU 6 - HB2 ARG 79 far 0 99 0 - 7.6-11.1 HB2 LEU 3 - HB2 ARG 79 far 0 93 0 - 8.8-12.6 Violated in 0 structures by 0.00 A. Peak 3510 from cnoeabs.peaks (1.53, 1.60, 31.20 ppm; 3.15 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-2.8 3.0=100 HG2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HB2 ARG 79 poor 20 98 20 - 4.0-11.6 HD3 LYS 53 - HB2 ARG 79 far 0 95 0 - 5.0-8.4 HG12 ILE 56 - HB2 ARG 79 far 0 100 0 - 5.2-8.4 HG LEU 57 - HB2 ARG 79 far 0 70 0 - 7.5-11.7 HG LEU 6 - HB2 ARG 79 far 0 99 0 - 7.6-11.1 HB2 LEU 3 - HB2 ARG 79 far 0 94 0 - 8.8-12.6 Violated in 0 structures by 0.00 A. Peak 3511 from cnoeabs.peaks (3.07, 1.60, 31.20 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.7-4.2 3.8=100 HD3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.7-4.2 3.8=100 HB3 HIS 105 - HB2 ARG 79 far 0 100 0 - 6.1-15.3 HB2 PHE 96 - HB2 ARG 79 far 0 82 0 - 6.3-9.4 HB2 TRP 92 - HB2 ARG 79 far 0 79 0 - 6.3-11.2 HB3 HIS 106 - HB2 ARG 79 far 0 94 0 - 7.1-16.4 Violated in 0 structures by 0.00 A. Peak 3512 from cnoeabs.peaks (3.07, 1.60, 31.20 ppm; 4.31 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.7-4.2 3.8=100 HD2 ARG 79 + HB2 ARG 79 OK 100 100 100 100 2.7-4.2 3.8=100 HB3 HIS 105 - HB2 ARG 79 far 0 99 0 - 6.1-15.3 HB2 PHE 96 - HB2 ARG 79 far 0 85 0 - 6.3-9.4 HB2 TRP 92 - HB2 ARG 79 far 0 82 0 - 6.3-11.2 HB3 HIS 106 - HB2 ARG 79 far 0 92 0 - 7.1-16.4 Violated in 0 structures by 0.00 A. Peak 3513 from cnoeabs.peaks (8.42, 1.60, 31.20 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H THR 80 + HB2 ARG 79 OK 100 100 100 100 3.3-4.4 4.6=100 Violated in 0 structures by 0.00 A. Peak 3514 from cnoeabs.peaks (8.50, 1.65, 31.20 ppm; 5.00 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.7-3.9 4.1=100 H VAL 54 + HB3 ARG 79 OK 72 99 85 86 4.2-7.0 3505/1.8=34...(14) H LYS 53 - HB3 ARG 79 far 0 73 0 - 8.2-11.0 Violated in 0 structures by 0.00 A. Peak 3515 from cnoeabs.peaks (4.71, 1.65, 31.20 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 82 - HB3 ARG 79 far 0 99 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3516 from cnoeabs.peaks (1.60, 1.65, 31.20 ppm; 3.19 A): 1 out of 3 assignments used, quality = 1.00: * HB2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LEU 103 - HB3 ARG 79 poor 19 96 20 - 4.0-12.2 HG LEU 103 - HB3 ARG 79 poor 19 94 20 - 3.6-14.1 Violated in 0 structures by 0.00 A. Peak 3517 from cnoeabs.peaks (1.65, 1.65, 31.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 79 + HB3 ARG 79 OK 100 100 - 100 Peak 3518 from cnoeabs.peaks (1.53, 1.65, 31.20 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HG2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 53 - HB3 ARG 79 far 14 94 15 - 4.4-9.6 HG12 ILE 56 - HB3 ARG 79 far 5 100 5 - 4.7-8.5 HB3 LEU 103 - HB3 ARG 79 far 5 99 5 - 4.6-11.8 HB2 LEU 3 - HB3 ARG 79 far 0 93 0 - 8.3-11.4 HG LEU 6 - HB3 ARG 79 far 0 99 0 - 8.3-11.9 HG LEU 57 - HB3 ARG 79 far 0 71 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 3519 from cnoeabs.peaks (1.53, 1.65, 31.20 ppm; 3.31 A): 2 out of 8 assignments used, quality = 1.00: * HG3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.4-3.0 3.0=100 HD3 LYS 53 - HB3 ARG 79 far 14 95 15 - 4.4-9.6 HG12 ILE 56 - HB3 ARG 79 far 5 100 5 - 4.7-8.5 HB3 LEU 103 - HB3 ARG 79 far 5 98 5 - 4.6-11.8 HB2 LEU 3 - HB3 ARG 79 far 0 94 0 - 8.3-11.4 HG LEU 6 - HB3 ARG 79 far 0 99 0 - 8.3-11.9 HG LEU 57 - HB3 ARG 79 far 0 70 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 3520 from cnoeabs.peaks (3.07, 1.65, 31.20 ppm; 4.46 A): 2 out of 6 assignments used, quality = 1.00: * HD2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.0-3.8 3.8=100 HD3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.5-4.2 3.8=100 HB3 HIS 105 - HB3 ARG 79 far 0 100 0 - 6.4-15.8 HB2 PHE 96 - HB3 ARG 79 far 0 82 0 - 7.0-9.0 HB2 TRP 92 - HB3 ARG 79 far 0 79 0 - 7.6-10.9 HB3 HIS 106 - HB3 ARG 79 far 0 94 0 - 7.7-16.8 Violated in 0 structures by 0.00 A. Peak 3521 from cnoeabs.peaks (3.07, 1.65, 31.20 ppm; 4.46 A): 2 out of 6 assignments used, quality = 1.00: * HD3 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.5-4.2 3.8=100 HD2 ARG 79 + HB3 ARG 79 OK 100 100 100 100 2.0-3.8 3.8=100 HB3 HIS 105 - HB3 ARG 79 far 0 99 0 - 6.4-15.8 HB2 PHE 96 - HB3 ARG 79 far 0 85 0 - 7.0-9.0 HB2 TRP 92 - HB3 ARG 79 far 0 82 0 - 7.6-10.9 HB3 HIS 106 - HB3 ARG 79 far 0 92 0 - 7.7-16.8 Violated in 0 structures by 0.00 A. Peak 3522 from cnoeabs.peaks (8.42, 1.65, 31.20 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H THR 80 + HB3 ARG 79 OK 100 100 100 100 3.3-4.6 4.6=100 Violated in 0 structures by 0.00 A. Peak 3523 from cnoeabs.peaks (8.50, 1.53, 26.76 ppm; 4.17 A): 5 out of 18 assignments used, quality = 1.00: H ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.0-5.1 4.7=72, 7289/3.0=67...(21) * H ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.7-5.1 4.7=72, 7289/3.0=67...(21) H LEU 2 + HG LEU 2 OK 80 81 100 99 3.0-4.0 6012=82, ~77=44, ~49=43...(12) H THR 31 + HG3 ARG 30 OK 72 72 100 100 4.0-4.6 6496=74, 6493/2.9=71...(14) H LYS 53 + HG LEU 2 OK 32 55 85 67 2.6-5.9 6870/2.1=20, 9184/3.0=15...(15) H VAL 54 - HG2 ARG 79 poor 20 99 20 - 3.5-7.7 H VAL 54 - HG3 ARG 79 poor 20 99 20 - 3.9-8.1 H THR 31 - HG LEU 6 far 4 82 5 - 4.5-7.6 H VAL 32 - HG LEU 6 far 4 72 5 - 4.7-7.8 H ASN 51 - HG LEU 2 far 3 50 5 - 5.2-8.9 H ARG 79 - HG LEU 6 far 0 82 0 - 5.8-9.2 H VAL 54 - HG LEU 6 far 0 80 0 - 6.4-10.4 H VAL 54 - HG LEU 2 far 0 82 0 - 7.0-10.3 H LYS 53 - HG2 ARG 79 far 0 73 0 - 7.5-11.8 H VAL 32 - HG3 ARG 30 far 0 62 0 - 7.6-8.4 H LYS 53 - HG3 ARG 79 far 0 73 0 - 8.2-12.4 H ALA 67 - HG LEU 6 far 0 72 0 - 8.6-10.4 H LYS 53 - HG LEU 6 far 0 53 0 - 8.9-12.4 Violated in 0 structures by 0.00 A. Peak 3524 from cnoeabs.peaks (4.71, 1.53, 26.76 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: HA ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.7-4.2 4.1=76, 3551/3.0=29...(28) * HA ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.7-4.1 4.1=76, 3551/3.0=29...(28) HA ARG 79 - HG LEU 6 far 0 82 0 - 8.5-11.7 HA LYS 82 - HG2 ARG 79 far 0 99 0 - 8.8-12.2 HA LYS 82 - HG3 ARG 79 far 0 98 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 3525 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.65 A): 5 out of 17 assignments used, quality = 1.00: HB2 ARG 79 + HG3 ARG 79 OK 92 100 100 92 2.2-2.8 3.0=71, 7289/4.7=15...(16) * HB2 ARG 79 + HG2 ARG 79 OK 91 100 100 91 2.2-3.0 3.0=71, 7289/4.7=15...(16) HB2 ARG 30 + HG3 ARG 30 OK 63 72 100 86 2.7-3.0 2.9=74, 6493/6496=15...(9) HG LEU 103 + HG2 ARG 79 OK 20 94 40 54 2.2-12.3 4493=12, 2.1/4501=9...(19) HG LEU 103 + HG3 ARG 79 OK 20 94 40 53 2.4-13.7 4493=12, 4493/1.8=9...(19) HB2 LEU 103 - HG3 ARG 79 poor 15 96 35 44 2.5-11.6 4477=8, 3.0/4493=7...(16) HB2 LEU 103 - HG2 ARG 79 poor 13 96 30 43 2.0-10.2 4477=7, 3.1/4501=7...(15) HB2 ARG 30 - HG LEU 6 far 4 82 5 - 3.1-6.5 HB3 GLU 28 - HG3 ARG 30 lone 2 39 80 8 3.8-4.6 ~10511=5, 4.6/6464=2 HG2 ARG 19 - HG3 ARG 30 far 0 66 0 - 4.8-10.0 HB3 LEU 29 - HG3 ARG 30 far 0 72 0 - 5.1-6.2 HB3 LEU 29 - HG LEU 6 far 0 82 0 - 6.7-9.3 HB3 GLU 28 - HG LEU 6 far 0 45 0 - 7.4-9.1 HB2 ARG 79 - HG LEU 6 far 0 82 0 - 7.6-11.1 HB3 GLU 28 - HG LEU 2 far 0 47 0 - 8.0-11.1 HG2 ARG 19 - HG LEU 6 far 0 76 0 - 8.5-13.6 HG LEU 27 - HG LEU 2 far 0 84 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 3526 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.94 A): 4 out of 27 assignments used, quality = 1.00: * HB3 ARG 79 + HG2 ARG 79 OK 99 100 100 99 2.4-3.0 3.0=96, 7290/4.7=20...(16) HB3 ARG 79 + HG3 ARG 79 OK 99 100 100 99 2.3-3.0 3.0=96, 7290/4.7=20...(16) HB3 LEU 6 + HG LEU 6 OK 80 81 100 99 2.2-3.0 3.0=97, ~218=18...(15) HB ILE 52 + HG LEU 2 OK 64 77 90 92 1.8-5.4 2345/2.1=19, ~12039=18...(35) HB3 LYS 53 - HG2 ARG 79 far 4 75 5 - 4.4-8.2 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 4.7-9.0 HD3 LYS 68 - HG3 ARG 79 far 0 100 0 - 6.1-11.4 HG2 LYS 68 - HG2 ARG 79 far 0 98 0 - 6.2-11.6 HB3 LYS 53 - HG LEU 2 far 0 57 0 - 6.2-9.5 HG2 LYS 68 - HG3 ARG 79 far 0 98 0 - 6.6-12.4 HB3 LEU 6 - HG3 ARG 30 far 0 72 0 - 6.8-7.9 HB3 LEU 6 - HG2 ARG 79 far 0 100 0 - 7.3-11.1 HD3 LYS 68 - HG2 ARG 79 far 0 100 0 - 7.3-10.8 HB3 LEU 6 - HG3 ARG 79 far 0 100 0 - 7.5-10.7 HD2 LYS 68 - HG3 ARG 79 far 0 100 0 - 7.6-12.7 HB ILE 76 - HG2 ARG 79 far 0 99 0 - 8.0-11.5 HB3 LYS 40 - HG LEU 6 far 0 58 0 - 8.2-10.3 HB ILE 76 - HG LEU 6 far 0 79 0 - 8.3-11.2 HB3 ARG 79 - HG LEU 6 far 0 82 0 - 8.3-11.9 HB ILE 76 - HG3 ARG 79 far 0 99 0 - 8.5-11.5 HB3 LYS 53 - HG LEU 6 far 0 55 0 - 8.5-12.1 HD2 LYS 68 - HG2 ARG 79 far 0 100 0 - 8.7-12.0 HG12 ILE 15 - HG LEU 6 far 0 42 0 - 9.0-11.7 HB3 LYS 40 - HG3 ARG 30 far 0 50 0 - 9.3-11.1 HB ILE 52 - HG LEU 6 far 0 75 0 - 9.4-12.9 HB2 LYS 40 - HG LEU 6 far 0 80 0 - 9.5-11.6 HB ILE 76 - HG LEU 2 far 0 81 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3527 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG LEU 6 + HG LEU 6 OK 80 80 - 100 HG LEU 2 + HG LEU 2 OK 74 74 - 100 HG3 ARG 30 + HG3 ARG 30 OK 72 72 - 100 Peak 3528 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG LEU 6 + HG LEU 6 OK 79 79 - 100 HG LEU 2 + HG LEU 2 OK 72 72 - 100 HG3 ARG 30 + HG3 ARG 30 OK 72 72 - 100 Reference assignment not found: HG3 ARG 79 - HG2 ARG 79 Peak 3529 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.24 A): 5 out of 19 assignments used, quality = 1.00: * HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 69 69 100 100 2.2-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 5 100 5 - 3.9-13.8 HB3 HIS 105 - HG2 ARG 79 far 0 100 0 - 5.1-14.7 HD3 ARG 30 - HG LEU 6 far 0 78 0 - 5.3-8.6 HB2 PHE 96 - HG3 ARG 79 far 0 82 0 - 6.8-9.3 HD3 ARG 79 - HG LEU 6 far 0 82 0 - 6.9-14.3 HB2 TRP 92 - HG3 ARG 79 far 0 79 0 - 7.0-9.8 HB2 PHE 96 - HG2 ARG 79 far 0 82 0 - 7.1-8.9 HB2 TRP 92 - HG2 ARG 79 far 0 79 0 - 7.2-10.0 HB3 HIS 106 - HG3 ARG 79 far 0 94 0 - 7.4-14.9 HB3 HIS 106 - HG2 ARG 79 far 0 94 0 - 7.5-14.9 HD2 ARG 79 - HG LEU 6 far 0 82 0 - 7.8-13.4 HB3 ASN 26 - HG LEU 2 far 0 84 0 - 8.4-10.1 HB2 PHE 96 - HG LEU 6 far 0 61 0 - 9.2-12.2 HD3 ARG 79 - HG LEU 2 far 0 84 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3530 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.24 A): 5 out of 19 assignments used, quality = 1.00: * HD3 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 70 70 100 100 2.2-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 5 99 5 - 3.9-13.8 HB3 HIS 105 - HG2 ARG 79 far 0 99 0 - 5.1-14.7 HD3 ARG 30 - HG LEU 6 far 0 79 0 - 5.3-8.6 HB2 PHE 96 - HG3 ARG 79 far 0 85 0 - 6.8-9.3 HD3 ARG 79 - HG LEU 6 far 0 82 0 - 6.9-14.3 HB2 TRP 92 - HG3 ARG 79 far 0 82 0 - 7.0-9.8 HB2 PHE 96 - HG2 ARG 79 far 0 85 0 - 7.1-8.9 HB2 TRP 92 - HG2 ARG 79 far 0 82 0 - 7.2-10.0 HB3 HIS 106 - HG3 ARG 79 far 0 92 0 - 7.4-14.9 HB3 HIS 106 - HG2 ARG 79 far 0 92 0 - 7.5-14.9 HD2 ARG 79 - HG LEU 6 far 0 82 0 - 7.8-13.4 HB3 ASN 26 - HG LEU 2 far 0 83 0 - 8.4-10.1 HB2 PHE 96 - HG LEU 6 far 0 64 0 - 9.2-12.2 HD3 ARG 79 - HG LEU 2 far 0 84 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3531 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.57 A): 3 out of 5 assignments used, quality = 1.00: * H THR 80 + HG2 ARG 79 OK 100 100 100 100 3.1-5.7 7299/3.0=75, 7298/4.1=75...(16) H THR 80 + HG3 ARG 79 OK 100 100 100 100 3.5-5.8 7299/3.0=75, 7298/4.1=75...(16) H LEU 29 + HG3 ARG 30 OK 22 42 100 53 4.4-4.9 8665/1.8=26, 4.6/6486=18...(7) H LEU 29 - HG LEU 6 far 0 49 0 - 7.7-9.2 H THR 80 - HG LEU 6 far 0 82 0 - 8.3-11.3 Violated in 0 structures by 0.00 A. Peak 3532 from cnoeabs.peaks (8.50, 1.53, 26.76 ppm; 4.17 A): 5 out of 18 assignments used, quality = 1.00: * H ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.0-5.1 4.7=72, 7289/3.0=67...(21) H ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.7-5.1 4.7=72, 7289/3.0=67...(21) H LEU 2 + HG LEU 2 OK 78 79 100 99 3.0-4.0 6012=80, ~77=44, ~49=43...(12) H THR 31 + HG3 ARG 30 OK 72 72 100 100 4.0-4.6 6496=74, 6493/2.9=71...(14) H LYS 53 + HG LEU 2 OK 30 53 85 67 2.6-5.9 6870/2.1=20, 9184/3.0=15...(15) H VAL 54 - HG3 ARG 79 poor 20 99 20 - 3.9-8.1 H VAL 54 - HG2 ARG 79 poor 20 99 20 - 3.5-7.7 H THR 31 - HG LEU 6 far 4 81 5 - 4.5-7.6 H VAL 32 - HG LEU 6 far 4 71 5 - 4.7-7.8 H ASN 51 - HG LEU 2 far 2 49 5 - 5.2-8.9 H ARG 79 - HG LEU 6 far 0 81 0 - 5.8-9.2 H VAL 54 - HG LEU 6 far 0 79 0 - 6.4-10.4 H VAL 54 - HG LEU 2 far 0 80 0 - 7.0-10.3 H LYS 53 - HG2 ARG 79 far 0 73 0 - 7.5-11.8 H VAL 32 - HG3 ARG 30 far 0 62 0 - 7.6-8.4 H LYS 53 - HG3 ARG 79 far 0 73 0 - 8.2-12.4 H ALA 67 - HG LEU 6 far 0 71 0 - 8.6-10.4 H LYS 53 - HG LEU 6 far 0 53 0 - 8.9-12.4 Violated in 0 structures by 0.00 A. Peak 3533 from cnoeabs.peaks (4.71, 1.53, 26.76 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: * HA ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.7-4.2 4.1=76, 3551/3.0=29...(28) HA ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.7-4.1 4.1=76, 3551/3.0=29...(28) HA ARG 79 - HG LEU 6 far 0 81 0 - 8.5-11.7 HA LYS 82 - HG2 ARG 79 far 0 98 0 - 8.8-12.2 HA LYS 82 - HG3 ARG 79 far 0 99 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 3534 from cnoeabs.peaks (1.60, 1.53, 26.76 ppm; 2.65 A): 5 out of 17 assignments used, quality = 1.00: * HB2 ARG 79 + HG3 ARG 79 OK 91 100 100 92 2.2-2.8 3.0=71, 7289/4.7=15...(16) HB2 ARG 79 + HG2 ARG 79 OK 91 100 100 91 2.2-3.0 3.0=71, 7289/4.7=15...(16) HB2 ARG 30 + HG3 ARG 30 OK 62 72 100 86 2.7-3.0 2.9=74, 6493/6496=15...(9) HG LEU 103 + HG2 ARG 79 OK 20 94 40 54 2.2-12.3 4493=12, 2.1/4501=9...(19) HG LEU 103 + HG3 ARG 79 OK 20 94 40 53 2.4-13.7 4493=12, 4493/1.8=9...(19) HB2 LEU 103 - HG3 ARG 79 poor 15 96 35 44 2.5-11.6 4477=8, 3.0/4493=6...(16) HB2 LEU 103 - HG2 ARG 79 poor 13 96 30 43 2.0-10.2 4477=7, 3.1/4501=7...(15) HB2 ARG 30 - HG LEU 6 far 4 81 5 - 3.1-6.5 HB3 GLU 28 - HG3 ARG 30 lone 2 39 80 8 3.8-4.6 ~10511=5, 4.6/6464=2 HG2 ARG 19 - HG3 ARG 30 far 0 66 0 - 4.8-10.0 HB3 LEU 29 - HG3 ARG 30 far 0 72 0 - 5.1-6.2 HB3 LEU 29 - HG LEU 6 far 0 81 0 - 6.7-9.3 HB3 GLU 28 - HG LEU 6 far 0 45 0 - 7.4-9.1 HB2 ARG 79 - HG LEU 6 far 0 81 0 - 7.6-11.1 HB3 GLU 28 - HG LEU 2 far 0 45 0 - 8.0-11.1 HG2 ARG 19 - HG LEU 6 far 0 75 0 - 8.5-13.6 HG LEU 27 - HG LEU 2 far 0 82 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 3535 from cnoeabs.peaks (1.65, 1.53, 26.76 ppm; 2.94 A): 4 out of 27 assignments used, quality = 1.00: HB3 ARG 79 + HG2 ARG 79 OK 99 100 100 99 2.4-3.0 3.0=96, 7290/4.7=20...(16) * HB3 ARG 79 + HG3 ARG 79 OK 99 100 100 99 2.3-3.0 3.0=96, 7290/4.7=20...(16) HB3 LEU 6 + HG LEU 6 OK 79 80 100 99 2.2-3.0 3.0=97, ~218=18...(15) HB ILE 52 + HG LEU 2 OK 62 75 90 92 1.8-5.4 2345/2.1=19, ~12039=18...(35) HB3 LYS 53 - HG2 ARG 79 far 4 75 5 - 4.4-8.2 HB3 LYS 53 - HG3 ARG 79 far 0 75 0 - 4.7-9.0 HD3 LYS 68 - HG3 ARG 79 far 0 100 0 - 6.1-11.4 HG2 LYS 68 - HG2 ARG 79 far 0 98 0 - 6.2-11.6 HB3 LYS 53 - HG LEU 2 far 0 55 0 - 6.2-9.5 HG2 LYS 68 - HG3 ARG 79 far 0 98 0 - 6.6-12.4 HB3 LEU 6 - HG3 ARG 30 far 0 71 0 - 6.8-7.9 HB3 LEU 6 - HG2 ARG 79 far 0 100 0 - 7.3-11.1 HD3 LYS 68 - HG2 ARG 79 far 0 100 0 - 7.3-10.8 HB3 LEU 6 - HG3 ARG 79 far 0 100 0 - 7.5-10.7 HD2 LYS 68 - HG3 ARG 79 far 0 100 0 - 7.6-12.7 HB ILE 76 - HG2 ARG 79 far 0 99 0 - 8.0-11.5 HB3 LYS 40 - HG LEU 6 far 0 57 0 - 8.2-10.3 HB ILE 76 - HG LEU 6 far 0 78 0 - 8.3-11.2 HB3 ARG 79 - HG LEU 6 far 0 81 0 - 8.3-11.9 HB ILE 76 - HG3 ARG 79 far 0 99 0 - 8.5-11.5 HB3 LYS 53 - HG LEU 6 far 0 54 0 - 8.5-12.1 HD2 LYS 68 - HG2 ARG 79 far 0 100 0 - 8.7-12.0 HG12 ILE 15 - HG LEU 6 far 0 42 0 - 9.0-11.7 HB3 LYS 40 - HG3 ARG 30 far 0 50 0 - 9.3-11.1 HB ILE 52 - HG LEU 6 far 0 74 0 - 9.4-12.9 HB2 LYS 40 - HG LEU 6 far 0 79 0 - 9.5-11.6 HB ILE 76 - HG LEU 2 far 0 79 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 3536 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG LEU 6 + HG LEU 6 OK 79 79 - 100 HG3 ARG 30 + HG3 ARG 30 OK 72 72 - 100 HG LEU 2 + HG LEU 2 OK 71 71 - 100 Reference assignment not found: HG2 ARG 79 - HG3 ARG 79 Peak 3537 from cnoeabs.peaks (1.53, 1.53, 26.76 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 ARG 79 + HG3 ARG 79 OK 100 100 - 100 HG2 ARG 79 + HG2 ARG 79 OK 100 100 - 100 HG LEU 6 + HG LEU 6 OK 78 78 - 100 HG3 ARG 30 + HG3 ARG 30 OK 72 72 - 100 HG LEU 2 + HG LEU 2 OK 70 70 - 100 Peak 3538 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.24 A): 5 out of 19 assignments used, quality = 1.00: * HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HD3 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 5 100 5 - 3.9-13.8 HB3 HIS 105 - HG2 ARG 79 far 0 100 0 - 5.1-14.7 HD3 ARG 30 - HG LEU 6 far 0 77 0 - 5.3-8.6 HB2 PHE 96 - HG3 ARG 79 far 0 82 0 - 6.8-9.3 HD3 ARG 79 - HG LEU 6 far 0 81 0 - 6.9-14.3 HB2 TRP 92 - HG3 ARG 79 far 0 79 0 - 7.0-9.8 HB2 PHE 96 - HG2 ARG 79 far 0 82 0 - 7.1-8.9 HB2 TRP 92 - HG2 ARG 79 far 0 79 0 - 7.2-10.0 HB3 HIS 106 - HG3 ARG 79 far 0 94 0 - 7.4-14.9 HB3 HIS 106 - HG2 ARG 79 far 0 94 0 - 7.5-14.9 HD2 ARG 79 - HG LEU 6 far 0 81 0 - 7.8-13.4 HB3 ASN 26 - HG LEU 2 far 0 82 0 - 8.4-10.1 HB2 PHE 96 - HG LEU 6 far 0 60 0 - 9.2-12.2 HD3 ARG 79 - HG LEU 2 far 0 82 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3539 from cnoeabs.peaks (3.07, 1.53, 26.76 ppm; 3.24 A): 5 out of 19 assignments used, quality = 1.00: * HD3 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 ARG 79 + HG2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HD3 ARG 30 + HG3 ARG 30 OK 69 69 100 100 2.2-3.0 3.0=100 HB3 HIS 105 - HG3 ARG 79 far 5 99 5 - 3.9-13.8 HB3 HIS 105 - HG2 ARG 79 far 0 99 0 - 5.1-14.7 HD3 ARG 30 - HG LEU 6 far 0 78 0 - 5.3-8.6 HB2 PHE 96 - HG3 ARG 79 far 0 85 0 - 6.8-9.3 HD3 ARG 79 - HG LEU 6 far 0 81 0 - 6.9-14.3 HB2 TRP 92 - HG3 ARG 79 far 0 82 0 - 7.0-9.8 HB2 PHE 96 - HG2 ARG 79 far 0 85 0 - 7.1-8.9 HB2 TRP 92 - HG2 ARG 79 far 0 82 0 - 7.2-10.0 HB3 HIS 106 - HG3 ARG 79 far 0 92 0 - 7.4-14.9 HB3 HIS 106 - HG2 ARG 79 far 0 92 0 - 7.5-14.9 HD2 ARG 79 - HG LEU 6 far 0 81 0 - 7.8-13.4 HB3 ASN 26 - HG LEU 2 far 0 81 0 - 8.4-10.1 HB2 PHE 96 - HG LEU 6 far 0 63 0 - 9.2-12.2 HD3 ARG 79 - HG LEU 2 far 0 82 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3540 from cnoeabs.peaks (8.42, 1.53, 26.76 ppm; 4.57 A): 3 out of 5 assignments used, quality = 1.00: * H THR 80 + HG3 ARG 79 OK 100 100 100 100 3.5-5.8 7299/3.0=75, 7298/4.1=75...(16) H THR 80 + HG2 ARG 79 OK 100 100 100 100 3.1-5.7 7299/3.0=75, 7298/4.1=75...(16) H LEU 29 + HG3 ARG 30 OK 22 41 100 53 4.4-4.9 8665/1.8=26, 4.6/6486=18...(7) H LEU 29 - HG LEU 6 far 0 48 0 - 7.7-9.2 H THR 80 - HG LEU 6 far 0 81 0 - 8.3-11.3 Violated in 0 structures by 0.00 A. Peak 3541 from cnoeabs.peaks (8.50, 3.07, 43.09 ppm; 4.23 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.0-5.1 7289/3.8=57, 7290/3.8=57...(22) H ARG 79 + HD3 ARG 79 OK 100 100 100 100 1.9-5.4 7289/3.8=57, 7290/3.8=57...(21) H VAL 54 + HD2 ARG 79 OK 23 99 30 77 2.7-8.4 11101/12197=30...(12) H VAL 54 - HD3 ARG 79 far 10 99 10 - 3.4-8.1 H LYS 53 - HD3 ARG 79 far 0 73 0 - 6.7-12.3 H LYS 53 - HD2 ARG 79 far 0 73 0 - 6.9-12.8 Violated in 0 structures by 0.00 A. Peak 3542 from cnoeabs.peaks (4.71, 3.07, 43.09 ppm; 3.81 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 79 + HD3 ARG 79 OK 99 100 100 99 2.0-5.1 5.3=36, 3502/1.8=30...(26) * HA ARG 79 + HD2 ARG 79 OK 89 100 90 99 2.0-5.3 5.3=36, 3503/1.8=30...(27) HA LYS 82 - HD3 ARG 79 far 0 98 0 - 8.1-12.4 HA LYS 82 - HD2 ARG 79 far 0 99 0 - 9.6-12.2 Violated in 5 structures by 0.04 A. Peak 3543 from cnoeabs.peaks (1.60, 3.07, 43.09 ppm; 3.67 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.7-4.2 3.8=93, 3.0/3551=25...(22) HB2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.7-4.2 3.8=93, 3.0/3551=28...(21) HB2 LEU 103 - HD3 ARG 79 poor 12 96 35 37 2.2-11.9 4477/3.0=6, 4477/3.0=6...(14) HG LEU 103 - HD2 ARG 79 poor 11 94 25 47 4.4-12.3 4493/3.0=12, 4493/3.0=11...(12) HG LEU 103 - HD3 ARG 79 poor 11 94 25 47 3.1-13.7 4493/3.0=12, 4493/3.0=11...(12) HB2 LEU 103 - HD2 ARG 79 poor 9 96 25 37 3.6-10.9 4477/3.0=6, 4477/3.0=6...(14) Violated in 0 structures by 0.00 A. Peak 3544 from cnoeabs.peaks (1.65, 3.07, 43.09 ppm; 3.83 A): 2 out of 14 assignments used, quality = 1.00: * HB3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.0-3.8 3.8=100 HB3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.5-4.2 3.8=100 HD3 LYS 68 - HD3 ARG 79 far 10 100 10 - 4.7-12.1 HB3 LYS 53 - HD2 ARG 79 far 8 75 10 - 3.6-9.7 HD3 LYS 68 - HD2 ARG 79 far 5 100 5 - 5.3-11.3 HB3 LYS 53 - HD3 ARG 79 far 4 75 5 - 3.1-9.2 HG2 LYS 68 - HD3 ARG 79 far 0 98 0 - 5.6-12.9 HG2 LYS 68 - HD2 ARG 79 far 0 98 0 - 6.1-11.8 HD2 LYS 68 - HD3 ARG 79 far 0 100 0 - 6.1-13.4 HD2 LYS 68 - HD2 ARG 79 far 0 100 0 - 6.8-12.3 HB3 LEU 6 - HD3 ARG 79 far 0 100 0 - 7.1-11.5 HB3 LEU 6 - HD2 ARG 79 far 0 100 0 - 7.6-11.3 HB ILE 76 - HD2 ARG 79 far 0 99 0 - 7.8-10.9 HB ILE 76 - HD3 ARG 79 far 0 99 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 3545 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.15 A): 4 out of 17 assignments used, quality = 1.00: * HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 15 98 15 - 3.1-11.5 HG12 ILE 56 - HD3 ARG 79 far 5 100 5 - 4.5-9.2 HB3 LEU 103 - HD2 ARG 79 far 5 99 5 - 4.2-10.7 HD3 LYS 53 - HD2 ARG 79 far 5 94 5 - 4.0-9.1 HD3 LYS 53 - HD3 ARG 79 far 5 94 5 - 3.8-9.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.2-9.0 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 6.9-14.3 HG LEU 57 - HD3 ARG 79 far 0 71 0 - 7.1-12.5 HB2 LEU 3 - HD3 ARG 79 far 0 93 0 - 7.2-14.2 HG LEU 57 - HD2 ARG 79 far 0 71 0 - 7.8-12.4 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 7.8-13.4 HB2 LEU 3 - HD2 ARG 79 far 0 93 0 - 8.1-13.7 HG LEU 2 - HD3 ARG 79 far 0 93 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3546 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.15 A): 4 out of 17 assignments used, quality = 1.00: * HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 15 98 15 - 3.1-11.5 HG12 ILE 56 - HD3 ARG 79 far 5 100 5 - 4.5-9.2 HB3 LEU 103 - HD2 ARG 79 far 5 98 5 - 4.2-10.7 HD3 LYS 53 - HD2 ARG 79 far 5 95 5 - 4.0-9.1 HD3 LYS 53 - HD3 ARG 79 far 5 95 5 - 3.8-9.6 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.2-9.0 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 6.9-14.3 HG LEU 57 - HD3 ARG 79 far 0 69 0 - 7.1-12.5 HB2 LEU 3 - HD3 ARG 79 far 0 94 0 - 7.2-14.2 HG LEU 57 - HD2 ARG 79 far 0 70 0 - 7.8-12.4 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 7.8-13.4 HB2 LEU 3 - HD2 ARG 79 far 0 94 0 - 8.1-13.7 HG LEU 2 - HD3 ARG 79 far 0 92 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3547 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 HD3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 Peak 3548 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 HD3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 Reference assignment not found: HD3 ARG 79 - HD2 ARG 79 Peak 3549 from cnoeabs.peaks (8.42, 3.07, 43.09 ppm; 5.86 A): 2 out of 2 assignments used, quality = 1.00: * H THR 80 + HD2 ARG 79 OK 100 100 100 100 3.5-6.2 7299/3.8=90, 7298/5.3=81...(14) H THR 80 + HD3 ARG 79 OK 100 100 100 100 3.5-6.6 7299/3.8=90, 7298/5.3=81...(14) Violated in 0 structures by 0.00 A. Peak 3550 from cnoeabs.peaks (8.50, 3.07, 43.09 ppm; 4.27 A): 3 out of 6 assignments used, quality = 1.00: H ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.0-5.1 7289/3.8=58, 7290/3.8=58...(22) * H ARG 79 + HD3 ARG 79 OK 100 100 100 100 1.9-5.4 7289/3.8=58, 7290/3.8=58...(21) H VAL 54 + HD2 ARG 79 OK 23 99 30 77 2.7-8.4 11101/12197=30...(12) H VAL 54 - HD3 ARG 79 far 10 99 10 - 3.4-8.1 H LYS 53 - HD3 ARG 79 far 0 73 0 - 6.7-12.3 H LYS 53 - HD2 ARG 79 far 0 73 0 - 6.9-12.8 Violated in 0 structures by 0.00 A. Peak 3551 from cnoeabs.peaks (4.71, 3.07, 43.09 ppm; 3.79 A): 2 out of 4 assignments used, quality = 1.00: * HA ARG 79 + HD3 ARG 79 OK 98 100 100 98 2.0-5.1 5.3=36, 3502/1.8=29...(26) HA ARG 79 + HD2 ARG 79 OK 89 100 90 99 2.0-5.3 5.3=36, 3503/1.8=29...(27) HA LYS 82 - HD3 ARG 79 far 0 99 0 - 8.1-12.4 HA LYS 82 - HD2 ARG 79 far 0 98 0 - 9.6-12.2 Violated in 5 structures by 0.05 A. Peak 3552 from cnoeabs.peaks (1.60, 3.07, 43.09 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: HB2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.7-4.2 3.8=91, 3.0/3551=25...(22) * HB2 ARG 79 + HD3 ARG 79 OK 99 100 100 99 2.7-4.2 3.8=91, 3.0/3551=28...(21) HG LEU 103 - HD2 ARG 79 poor 19 94 20 - 4.4-12.3 HB2 LEU 103 - HD3 ARG 79 poor 12 96 35 37 2.2-11.9 4477/3.0=6, 4477/3.0=6...(14) HG LEU 103 - HD3 ARG 79 poor 11 94 25 47 3.1-13.7 4493/3.0=12, 4493/3.0=11...(12) HB2 LEU 103 - HD2 ARG 79 poor 9 96 25 37 3.6-10.9 4477/3.0=6, 4477/3.0=6...(14) Violated in 0 structures by 0.00 A. Peak 3553 from cnoeabs.peaks (1.65, 3.07, 43.09 ppm; 3.85 A): 2 out of 14 assignments used, quality = 1.00: * HB3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.5-4.2 3.8=100 HB3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.0-3.8 3.8=100 HD3 LYS 68 - HD3 ARG 79 far 10 100 10 - 4.7-12.1 HB3 LYS 53 - HD2 ARG 79 far 8 75 10 - 3.6-9.7 HD3 LYS 68 - HD2 ARG 79 far 5 100 5 - 5.3-11.3 HB3 LYS 53 - HD3 ARG 79 far 4 75 5 - 3.1-9.2 HG2 LYS 68 - HD3 ARG 79 far 0 98 0 - 5.6-12.9 HG2 LYS 68 - HD2 ARG 79 far 0 98 0 - 6.1-11.8 HD2 LYS 68 - HD3 ARG 79 far 0 100 0 - 6.1-13.4 HD2 LYS 68 - HD2 ARG 79 far 0 100 0 - 6.8-12.3 HB3 LEU 6 - HD3 ARG 79 far 0 100 0 - 7.1-11.5 HB3 LEU 6 - HD2 ARG 79 far 0 100 0 - 7.6-11.3 HB ILE 76 - HD2 ARG 79 far 0 99 0 - 7.8-10.9 HB ILE 76 - HD3 ARG 79 far 0 99 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 3554 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.14 A): 4 out of 17 assignments used, quality = 1.00: * HG2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 15 99 15 - 3.1-11.5 HG12 ILE 56 - HD3 ARG 79 far 5 100 5 - 4.5-9.2 HB3 LEU 103 - HD2 ARG 79 far 5 98 5 - 4.2-10.7 HD3 LYS 53 - HD3 ARG 79 far 5 94 5 - 3.8-9.6 HD3 LYS 53 - HD2 ARG 79 far 5 94 5 - 4.0-9.1 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.2-9.0 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 6.9-14.3 HG LEU 57 - HD3 ARG 79 far 0 71 0 - 7.1-12.5 HB2 LEU 3 - HD3 ARG 79 far 0 93 0 - 7.2-14.2 HG LEU 57 - HD2 ARG 79 far 0 71 0 - 7.8-12.4 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 7.8-13.4 HB2 LEU 3 - HD2 ARG 79 far 0 93 0 - 8.1-13.7 HG LEU 2 - HD3 ARG 79 far 0 93 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3555 from cnoeabs.peaks (1.53, 3.07, 43.09 ppm; 3.14 A): 4 out of 17 assignments used, quality = 1.00: * HG3 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 + HD3 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 + HD2 ARG 79 OK 100 100 100 100 2.3-2.9 3.0=100 HB3 LEU 103 - HD3 ARG 79 far 15 98 15 - 3.1-11.5 HG12 ILE 56 - HD3 ARG 79 far 5 100 5 - 4.5-9.2 HB3 LEU 103 - HD2 ARG 79 far 5 98 5 - 4.2-10.7 HD3 LYS 53 - HD3 ARG 79 far 5 95 5 - 3.8-9.6 HD3 LYS 53 - HD2 ARG 79 far 5 95 5 - 4.0-9.1 HG12 ILE 56 - HD2 ARG 79 far 0 100 0 - 5.2-9.0 HG LEU 6 - HD3 ARG 79 far 0 99 0 - 6.9-14.3 HG LEU 57 - HD3 ARG 79 far 0 70 0 - 7.1-12.5 HB2 LEU 3 - HD3 ARG 79 far 0 94 0 - 7.2-14.2 HG LEU 57 - HD2 ARG 79 far 0 69 0 - 7.8-12.4 HG LEU 6 - HD2 ARG 79 far 0 99 0 - 7.8-13.4 HB2 LEU 3 - HD2 ARG 79 far 0 94 0 - 8.1-13.7 HG LEU 2 - HD3 ARG 79 far 0 92 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 3556 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 HD2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 Reference assignment not found: HD2 ARG 79 - HD3 ARG 79 Peak 3557 from cnoeabs.peaks (3.07, 3.07, 43.09 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 79 + HD3 ARG 79 OK 100 100 - 100 HD2 ARG 79 + HD2 ARG 79 OK 100 100 - 100 Peak 3558 from cnoeabs.peaks (8.42, 3.07, 43.09 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: * H THR 80 + HD3 ARG 79 OK 100 100 100 100 3.5-6.6 7299/3.8=97, 7298/5.3=92...(15) H THR 80 + HD2 ARG 79 OK 100 100 100 100 3.5-6.2 7299/3.8=97, 7298/5.3=92...(15) Violated in 0 structures by 0.00 A. Peak 3559 from cnoeabs.peaks (8.42, 5.33, 59.69 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * H THR 80 + HA THR 80 OK 100 100 100 100 2.9-2.9 2.9=100 H GLU 63 - HA THR 80 far 0 73 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 3560 from cnoeabs.peaks (5.33, 5.33, 59.69 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA THR 80 + HA THR 80 OK 100 100 - 100 HA ILE 52 + HA ILE 52 OK 69 69 - 100 Peak 3561 from cnoeabs.peaks (3.68, 5.33, 59.69 ppm; 3.76 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 80 + HA THR 80 OK 100 100 100 100 2.6-2.9 3.0=100 HA3 GLY 100 - HA ILE 52 far 0 38 0 - 7.3-9.9 HA LEU 42 - HA ILE 52 far 0 53 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 3562 from cnoeabs.peaks (0.98, 5.33, 59.69 ppm; 3.46 A): 2 out of 6 assignments used, quality = 1.00: * QG2 THR 80 + HA THR 80 OK 100 100 100 100 2.0-2.2 3.2=100 HG LEU 55 + HA THR 80 OK 42 96 50 88 4.6-5.4 2.1/9258=41, 3.7/9713=29...(16) QG1 VAL 83 - HA THR 80 far 0 77 0 - 6.6-7.4 QG2 VAL 83 - HA THR 80 far 0 95 0 - 6.9-7.4 QG2 VAL 5 - HA THR 80 far 0 70 0 - 7.5-8.7 QG2 VAL 5 - HA ILE 52 far 0 41 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 3563 from cnoeabs.peaks (8.76, 5.33, 59.69 ppm; 3.14 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 81 + HA THR 80 OK 100 100 100 100 2.1-2.4 7311=100, 3573/3.2=39...(21) H LYS 82 - HA THR 80 far 0 63 0 - 5.6-6.2 H ILE 8 - HA THR 80 far 0 59 0 - 7.6-8.6 H SER 59 - HA THR 80 far 0 59 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 3564 from cnoeabs.peaks (8.42, 3.68, 69.77 ppm; 3.79 A): 1 out of 3 assignments used, quality = 1.00: * H THR 80 + HB THR 80 OK 100 100 100 100 3.0-3.6 7306=100, 7307/2.1=71...(14) H GLU 63 - HB THR 80 far 0 73 0 - 7.9-9.5 H GLU 62 - HB THR 80 far 0 99 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 3565 from cnoeabs.peaks (5.33, 3.68, 69.77 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 80 + HB THR 80 OK 100 100 100 100 2.6-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3566 from cnoeabs.peaks (3.68, 3.68, 69.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 80 + HB THR 80 OK 100 100 - 100 Peak 3567 from cnoeabs.peaks (0.98, 3.68, 69.77 ppm; 3.05 A): 1 out of 5 assignments used, quality = 1.00: * QG2 THR 80 + HB THR 80 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 VAL 83 - HB THR 80 far 0 95 0 - 6.9-8.4 QG1 VAL 83 - HB THR 80 far 0 77 0 - 7.0-7.9 HG LEU 55 - HB THR 80 far 0 96 0 - 7.1-7.9 QG2 VAL 5 - HB THR 80 far 0 70 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 3568 from cnoeabs.peaks (8.76, 3.68, 69.77 ppm; 3.94 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 81 + HB THR 80 OK 100 100 100 100 2.4-3.6 7312=100, 7311/3.0=77...(21) H LYS 82 + HB THR 80 OK 49 63 90 86 4.7-5.7 4.7/7312=39, 3.6/9710=37...(11) H SER 59 - HB THR 80 far 0 59 0 - 7.6-10.0 H ILE 8 - HB THR 80 far 0 59 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 3569 from cnoeabs.peaks (8.42, 0.98, 22.13 ppm; 4.03 A): 1 out of 3 assignments used, quality = 1.00: * H THR 80 + QG2 THR 80 OK 100 100 100 100 2.6-3.6 4.0=100 H GLU 63 - QG2 THR 80 far 0 73 0 - 6.4-7.4 H GLU 62 - QG2 THR 80 far 0 99 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 3570 from cnoeabs.peaks (5.33, 0.98, 22.13 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 80 + QG2 THR 80 OK 100 100 100 100 2.0-2.2 3.2=100 Violated in 0 structures by 0.00 A. Peak 3571 from cnoeabs.peaks (3.68, 0.98, 22.13 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 80 + QG2 THR 80 OK 100 100 100 100 2.1-2.1 2.1=100 HA LEU 42 - QG2 THR 80 far 0 85 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 3572 from cnoeabs.peaks (0.98, 0.98, 22.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 80 + QG2 THR 80 OK 100 100 - 100 Peak 3573 from cnoeabs.peaks (8.76, 0.98, 22.13 ppm; 3.65 A): 1 out of 4 assignments used, quality = 1.00: * H ARG 81 + QG2 THR 80 OK 100 100 100 100 2.3-3.7 7313=75, 7311/3.2=65...(24) H LYS 82 - QG2 THR 80 poor 16 63 25 - 4.8-6.0 H ILE 8 - QG2 THR 80 far 0 59 0 - 6.2-7.6 H SER 59 - QG2 THR 80 far 0 59 0 - 6.4-8.3 Violated in 1 structures by 0.00 A. Peak 3575 from cnoeabs.peaks (4.36, 4.36, 53.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 81 + HA ARG 81 OK 100 100 - 100 Peak 3576 from cnoeabs.peaks (0.93, 4.36, 53.27 ppm; 3.62 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 81 + HA ARG 81 OK 100 100 100 100 2.5-2.9 3.0=100 QG2 VAL 83 - HA ARG 81 far 0 75 0 - 5.5-6.4 HG LEU 55 - HA ARG 81 far 0 73 0 - 5.7-7.5 QG2 VAL 5 - HA ARG 81 far 0 97 0 - 8.9-10.6 Violated in 0 structures by 0.00 A. Peak 3577 from cnoeabs.peaks (1.06, 4.36, 53.27 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HA ARG 81 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 LYS 82 - HA ARG 81 far 0 100 0 - 5.7-6.7 HB3 LEU 55 - HA ARG 81 far 0 77 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 3578 from cnoeabs.peaks (0.43, 4.36, 53.27 ppm; 4.26 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HA ARG 81 OK 100 100 100 100 2.7-3.5 3.9=100 QD1 LEU 55 + HA ARG 81 OK 94 99 95 99 4.2-5.9 9280/3.0=56...(21) Violated in 0 structures by 0.00 A. Peak 3579 from cnoeabs.peaks (0.74, 4.36, 53.27 ppm; 3.56 A): 2 out of 15 assignments used, quality = 1.00: * HG3 ARG 81 + HA ARG 81 OK 99 100 100 99 2.9-3.7 3.9=74, 3.0/3629=50...(16) QD1 LEU 64 + HA ARG 81 OK 99 100 100 99 2.1-3.2 7328/7324=49...(24) QG1 VAL 58 - HA ARG 81 far 0 93 0 - 5.2-6.0 QD1 ILE 56 - HA ARG 81 far 0 73 0 - 5.6-8.1 QD1 ILE 8 - HA ARG 81 far 0 77 0 - 7.2-8.7 QG2 VAL 78 - HA ARG 81 far 0 94 0 - 7.4-7.9 HG13 ILE 56 - HA ARG 81 far 0 85 0 - 7.4-8.9 QG1 VAL 5 - HA ARG 81 far 0 98 0 - 7.7-9.0 QD1 ILE 93 - HA ARG 81 far 0 77 0 - 9.0-10.8 HG13 ILE 93 - HA ARG 81 far 0 100 0 - 9.1-11.5 QG1 VAL 54 - HA ARG 81 far 0 90 0 - 9.1-10.7 QD1 LEU 6 - HA ARG 81 far 0 75 0 - 9.3-11.2 QD2 LEU 14 - HA ARG 81 far 0 75 0 - 9.5-10.3 QD2 LEU 42 - HA ARG 81 far 0 82 0 - 9.5-10.8 QG1 VAL 78 - HA ARG 81 far 0 100 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 3580 from cnoeabs.peaks (1.73, 4.36, 53.27 ppm; 4.08 A): 2 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HA ARG 81 OK 100 100 100 100 1.8-2.0 3620=99, 1.8/3629=82...(16) HB3 LYS 82 + HA ARG 81 OK 55 59 100 93 4.5-5.2 4.0/7324=63, 1.8/9743=46...(15) HB ILE 56 - HA ARG 81 poor 15 61 25 - 5.3-6.3 Violated in 0 structures by 0.00 A. Peak 3581 from cnoeabs.peaks (2.31, 4.36, 53.27 ppm; 3.90 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HA ARG 81 OK 100 100 100 100 2.2-2.9 3629=100, 1.8/3620=70...(19) HG2 GLU 63 - HA ARG 81 far 0 98 0 - 9.4-11.4 Violated in 0 structures by 0.00 A. Peak 3582 from cnoeabs.peaks (8.72, 4.36, 53.27 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HA ARG 81 OK 100 100 100 100 2.1-2.2 7324=100, 7325/3.0=28...(18) H ARG 81 + HA ARG 81 OK 63 63 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3583 from cnoeabs.peaks (8.76, 0.93, 33.91 ppm; 4.97 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 81 + HB2 ARG 81 OK 100 100 100 100 3.4-3.9 4.0=100 H LYS 82 + HB2 ARG 81 OK 63 63 100 100 3.2-3.9 4.3=100 H ILE 8 - HB2 ARG 81 far 0 59 0 - 8.2-9.4 H SER 59 - HB2 ARG 81 far 0 59 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 3584 from cnoeabs.peaks (4.36, 0.93, 33.91 ppm; 4.66 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.5-2.9 3.0=100 HA SER 102 - HB2 ARG 81 far 0 94 0 - 9.1-17.0 HA ASP 61 - HB2 ARG 81 far 0 100 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 3585 from cnoeabs.peaks (0.93, 0.93, 33.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 81 + HB2 ARG 81 OK 100 100 - 100 Peak 3586 from cnoeabs.peaks (1.06, 0.93, 33.91 ppm; 3.73 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HB2 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 55 - HB2 ARG 81 far 0 77 0 - 6.5-8.8 HG2 LYS 82 - HB2 ARG 81 far 0 100 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 3587 from cnoeabs.peaks (0.43, 0.93, 33.91 ppm; 4.55 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.3-3.0 2.9=100 QD1 LEU 55 + HB2 ARG 81 OK 99 99 100 100 2.8-5.0 9280/4.0=52, 9253/3.4=46...(27) Violated in 0 structures by 0.00 A. Peak 3588 from cnoeabs.peaks (0.74, 0.93, 33.91 ppm; 4.28 A): 2 out of 16 assignments used, quality = 1.00: * HG3 ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.3-3.0 2.9=100 QD1 LEU 64 + HB2 ARG 81 OK 97 100 100 97 4.2-5.3 7328/4.3=47, 3579/3.0=37...(16) QG1 VAL 58 - HB2 ARG 81 far 5 93 5 - 5.7-6.5 QD1 ILE 56 - HB2 ARG 81 far 0 73 0 - 6.0-8.6 QG1 VAL 5 - HB2 ARG 81 far 0 98 0 - 6.0-8.3 HG13 ILE 93 - HB2 ARG 81 far 0 100 0 - 6.8-9.8 QD1 ILE 93 - HB2 ARG 81 far 0 77 0 - 7.1-9.6 QD1 ILE 8 - HB2 ARG 81 far 0 77 0 - 7.3-8.9 QD2 LEU 14 - HB2 ARG 81 far 0 75 0 - 8.1-9.7 HG13 ILE 56 - HB2 ARG 81 far 0 85 0 - 8.1-9.6 QG2 VAL 78 - HB2 ARG 81 far 0 94 0 - 8.2-9.0 QG2 ILE 93 - HB2 ARG 81 far 0 99 0 - 8.4-11.0 QG1 VAL 54 - HB2 ARG 81 far 0 90 0 - 8.9-10.4 QD1 LEU 6 - HB2 ARG 81 far 0 75 0 - 9.3-11.7 QD1 LEU 27 - HB2 ARG 81 far 0 79 0 - 9.6-11.8 QD2 LEU 42 - HB2 ARG 81 far 0 82 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 3589 from cnoeabs.peaks (1.73, 0.93, 33.91 ppm; 5.21 A): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.5-3.7 3.4=100 HB3 LYS 82 + HB2 ARG 81 OK 55 59 100 92 5.5-6.0 4.0/7325=55, ~9743=51...(9) HB ILE 56 + HB2 ARG 81 OK 24 61 85 46 5.8-7.1 10921/4.0=28...(6) Violated in 0 structures by 0.00 A. Peak 3590 from cnoeabs.peaks (2.31, 0.93, 33.91 ppm; 6.27 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HB2 ARG 81 OK 100 100 100 100 2.6-3.7 3.4=100 HG2 GLU 95 - HB2 ARG 81 far 0 63 0 - 8.0-11.6 Violated in 0 structures by 0.00 A. Peak 3591 from cnoeabs.peaks (8.72, 0.93, 33.91 ppm; 5.22 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HB2 ARG 81 OK 100 100 100 100 3.2-3.9 4.3=100 H ARG 81 + HB2 ARG 81 OK 63 63 100 100 3.4-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3592 from cnoeabs.peaks (8.76, 1.06, 33.91 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: * H ARG 81 + HB3 ARG 81 OK 100 100 100 100 2.5-2.9 4.0=100 H LYS 82 + HB3 ARG 81 OK 63 63 100 100 4.2-4.6 4.3=100 H ILE 8 - HB3 ARG 81 far 0 59 0 - 7.4-9.2 H SER 59 - HB3 ARG 81 far 0 59 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 3593 from cnoeabs.peaks (4.36, 1.06, 33.91 ppm; 4.75 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 81 + HB3 ARG 81 OK 100 100 100 100 2.8-3.0 3.0=100 HA SER 102 - HB3 ARG 81 far 0 94 0 - 8.1-16.0 HA ASP 61 - HB3 ARG 81 far 0 100 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 3594 from cnoeabs.peaks (0.93, 1.06, 33.91 ppm; 3.68 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 81 + HB3 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 55 + HB3 ARG 81 OK 69 73 100 94 2.8-5.1 2.1/3596=26, ~9253=19...(23) QG2 VAL 83 - HB3 ARG 81 poor 16 75 55 39 4.5-6.0 7325/4.3=12...(7) QG2 VAL 5 - HB3 ARG 81 far 0 97 0 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 3595 from cnoeabs.peaks (1.06, 1.06, 33.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 81 + HB3 ARG 81 OK 100 100 - 100 Peak 3596 from cnoeabs.peaks (0.43, 1.06, 33.91 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HB3 ARG 81 OK 100 100 100 100 2.4-3.0 2.9=100 QD1 LEU 55 + HB3 ARG 81 OK 99 99 100 100 1.9-3.6 9280/7316=50...(24) Violated in 0 structures by 0.00 A. Peak 3597 from cnoeabs.peaks (0.74, 1.06, 33.91 ppm; 4.57 A): 4 out of 17 assignments used, quality = 1.00: * HG3 ARG 81 + HB3 ARG 81 OK 100 100 100 100 2.3-2.5 2.9=100 QD1 LEU 64 + HB3 ARG 81 OK 99 100 100 99 4.4-5.1 7328/4.3=53, 3588/1.8=42...(17) QG1 VAL 58 + HB3 ARG 81 OK 39 93 65 64 5.3-6.4 10706/12209=26...(5) QG1 VAL 5 + HB3 ARG 81 OK 25 98 55 46 5.4-7.0 8195/2548=17...(7) QD1 ILE 56 - HB3 ARG 81 poor 18 73 65 38 4.6-7.3 5.0/6917=13, 3.2/3598=9...(7) HG13 ILE 93 - HB3 ARG 81 far 0 100 0 - 6.2-9.0 HG13 ILE 56 - HB3 ARG 81 far 0 85 0 - 6.6-8.2 QD1 ILE 93 - HB3 ARG 81 far 0 77 0 - 6.6-8.6 QD1 ILE 8 - HB3 ARG 81 far 0 77 0 - 6.7-8.6 QG2 VAL 78 - HB3 ARG 81 far 0 94 0 - 6.8-7.7 QG1 VAL 54 - HB3 ARG 81 far 0 90 0 - 7.4-9.0 QG2 ILE 93 - HB3 ARG 81 far 0 99 0 - 7.8-9.9 QD2 LEU 14 - HB3 ARG 81 far 0 75 0 - 7.9-9.6 QD1 LEU 6 - HB3 ARG 81 far 0 75 0 - 8.1-10.5 QD2 LEU 42 - HB3 ARG 81 far 0 82 0 - 8.7-9.9 QD1 LEU 27 - HB3 ARG 81 far 0 79 0 - 8.9-10.5 QG1 VAL 78 - HB3 ARG 81 far 0 100 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 3598 from cnoeabs.peaks (1.73, 1.06, 33.91 ppm; 5.95 A): 3 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HB3 ARG 81 OK 100 100 100 100 3.3-3.7 3.4=100 HB3 LYS 82 + HB3 ARG 81 OK 56 59 100 95 6.7-7.2 ~9743=64, 4.0/7326=45...(7) HB ILE 56 + HB3 ARG 81 OK 44 61 100 72 4.4-5.8 10921/7316=34...(9) Violated in 0 structures by 0.00 A. Peak 3599 from cnoeabs.peaks (2.31, 1.06, 33.91 ppm; 6.31 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HB3 ARG 81 OK 100 100 100 100 2.5-4.1 3.4=100 HG2 GLU 95 - HB3 ARG 81 far 0 63 0 - 8.0-11.8 Violated in 0 structures by 0.00 A. Peak 3600 from cnoeabs.peaks (8.72, 1.06, 33.91 ppm; 5.24 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HB3 ARG 81 OK 100 100 100 100 4.2-4.6 4.3=100 H ARG 81 + HB3 ARG 81 OK 63 63 100 100 2.5-2.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3601 from cnoeabs.peaks (8.76, 0.43, 25.88 ppm; 4.96 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 81 + HG2 ARG 81 OK 100 100 100 100 3.5-5.0 4.9=100 H LYS 82 + HG2 ARG 81 OK 63 63 100 100 3.3-5.0 4.8=100 H ILE 8 - HG2 ARG 81 far 0 59 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 3602 from cnoeabs.peaks (4.36, 0.43, 25.88 ppm; 4.72 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.7-3.5 3.9=100 HA SER 102 - HG2 ARG 81 far 0 94 0 - 6.6-14.4 HA ASP 61 - HG2 ARG 81 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 3603 from cnoeabs.peaks (0.93, 0.43, 25.88 ppm; 3.99 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 55 + HG2 ARG 81 OK 39 73 55 96 4.1-7.1 ~3614=28, ~9253=26...(23) QG2 VAL 83 - HG2 ARG 81 far 0 75 0 - 6.0-7.5 QG2 VAL 5 - HG2 ARG 81 far 0 97 0 - 7.6-10.1 Violated in 0 structures by 0.00 A. Peak 3604 from cnoeabs.peaks (1.06, 0.43, 25.88 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 55 - HG2 ARG 81 far 0 77 0 - 5.6-9.0 HG2 LYS 82 - HG2 ARG 81 far 0 100 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 3605 from cnoeabs.peaks (0.43, 0.43, 25.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 81 + HG2 ARG 81 OK 100 100 - 100 Peak 3606 from cnoeabs.peaks (0.74, 0.43, 25.88 ppm; 3.25 A): 2 out of 17 assignments used, quality = 1.00: * HG3 ARG 81 + HG2 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 64 + HG2 ARG 81 OK 25 100 30 84 4.2-5.5 7328/4.8=22, 3624/3.0=19...(14) QD1 ILE 56 - HG2 ARG 81 far 0 73 0 - 5.4-9.4 QG2 VAL 78 - HG2 ARG 81 far 0 94 0 - 6.3-9.1 QG1 VAL 58 - HG2 ARG 81 far 0 93 0 - 6.5-7.8 QG1 VAL 5 - HG2 ARG 81 far 0 98 0 - 6.8-8.8 HG13 ILE 56 - HG2 ARG 81 far 0 85 0 - 7.4-10.3 HG13 ILE 93 - HG2 ARG 81 far 0 100 0 - 7.6-11.1 QG1 VAL 54 - HG2 ARG 81 far 0 90 0 - 8.0-10.9 QD1 ILE 93 - HG2 ARG 81 far 0 77 0 - 8.1-10.1 QD1 ILE 8 - HG2 ARG 81 far 0 77 0 - 8.2-10.5 QG2 ILE 93 - HG2 ARG 81 far 0 99 0 - 8.5-10.9 QG1 VAL 78 - HG2 ARG 81 far 0 100 0 - 8.7-11.4 QD1 LEU 6 - HG2 ARG 81 far 0 75 0 - 9.0-12.3 QD2 LEU 42 - HG2 ARG 81 far 0 82 0 - 9.3-12.3 QD1 LEU 27 - HG2 ARG 81 far 0 79 0 - 9.6-12.2 QD2 LEU 14 - HG2 ARG 81 far 0 75 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3607 from cnoeabs.peaks (1.73, 0.43, 25.88 ppm; 4.35 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.4-3.0 3.0=100 HB ILE 56 - HG2 ARG 81 poor 12 61 20 - 5.7-8.0 HB3 LYS 82 - HG2 ARG 81 far 6 59 10 - 5.4-7.9 Violated in 0 structures by 0.00 A. Peak 3608 from cnoeabs.peaks (2.31, 0.43, 25.88 ppm; 4.51 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HG2 ARG 81 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 95 - HG2 ARG 81 far 0 63 0 - 8.0-11.9 Violated in 0 structures by 0.00 A. Peak 3609 from cnoeabs.peaks (8.72, 0.43, 25.88 ppm; 5.80 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HG2 ARG 81 OK 100 100 100 100 3.3-5.0 4.8=100 H ARG 81 + HG2 ARG 81 OK 63 63 100 100 3.5-5.0 4.9=100 Violated in 0 structures by 0.00 A. Peak 3610 from cnoeabs.peaks (8.76, 0.74, 25.88 ppm; 4.84 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 81 + HG3 ARG 81 OK 100 100 100 100 4.5-5.1 4.9=97, 7316/2.9=84...(15) H LYS 82 + HG3 ARG 81 OK 63 63 100 100 4.8-5.4 4.8=100 H ILE 8 - HG3 ARG 81 far 0 59 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3611 from cnoeabs.peaks (4.36, 0.74, 25.88 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.9-3.7 3.9=100 HA SER 102 - HG3 ARG 81 far 0 94 0 - 7.0-14.8 Violated in 0 structures by 0.00 A. Peak 3612 from cnoeabs.peaks (0.93, 0.74, 25.88 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.3-3.0 2.9=100 HG LEU 55 + HG3 ARG 81 OK 27 73 40 92 3.9-6.4 2.1/3614=40, ~9253=23...(15) QG2 VAL 83 - HG3 ARG 81 far 0 75 0 - 5.9-7.3 QG2 VAL 5 - HG3 ARG 81 far 0 97 0 - 7.2-9.1 Violated in 0 structures by 0.00 A. Peak 3613 from cnoeabs.peaks (1.06, 0.74, 25.88 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 LEU 55 - HG3 ARG 81 far 0 77 0 - 5.5-8.0 HG2 LYS 82 - HG3 ARG 81 far 0 100 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 3614 from cnoeabs.peaks (0.43, 0.74, 25.88 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HG3 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 QD1 LEU 55 + HG3 ARG 81 OK 88 99 100 88 2.0-4.1 9271=19, 2540/2.9=18...(21) Violated in 0 structures by 0.00 A. Peak 3615 from cnoeabs.peaks (0.74, 0.74, 25.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 81 + HG3 ARG 81 OK 100 100 - 100 Peak 3616 from cnoeabs.peaks (1.73, 0.74, 25.88 ppm; 4.37 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 56 - HG3 ARG 81 far 0 61 0 - 6.7-7.6 HB3 LYS 82 - HG3 ARG 81 far 0 59 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 3617 from cnoeabs.peaks (2.31, 0.74, 25.88 ppm; 4.34 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HG3 ARG 81 OK 100 100 100 100 2.5-3.0 3.0=100 HG2 GLU 95 - HG3 ARG 81 far 0 63 0 - 6.7-10.6 Violated in 0 structures by 0.00 A. Peak 3618 from cnoeabs.peaks (8.72, 0.74, 25.88 ppm; 5.58 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HG3 ARG 81 OK 100 100 100 100 4.8-5.4 4.8=100 H ARG 81 + HG3 ARG 81 OK 63 63 100 100 4.5-5.1 4.9=100 Violated in 0 structures by 0.00 A. Peak 3619 from cnoeabs.peaks (8.76, 1.73, 42.21 ppm; 5.23 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 81 + HD2 ARG 81 OK 100 100 100 100 4.2-4.6 3.0/3620=87, 7316/3.4=85...(15) H LYS 82 + HD2 ARG 81 OK 63 63 100 99 2.4-3.6 3.6/3620=79, 7330/1.8=50...(12) H SER 59 - HD2 ARG 81 far 0 59 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 3620 from cnoeabs.peaks (4.36, 1.73, 42.21 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 81 + HD2 ARG 81 OK 100 100 100 100 1.8-2.0 3629/1.8=82, 3580=64...(16) HA ASP 61 - HD2 ARG 81 far 0 100 0 - 8.6-9.5 HA SER 102 - HD2 ARG 81 far 0 94 0 - 8.8-16.7 Violated in 0 structures by 0.00 A. Peak 3621 from cnoeabs.peaks (0.93, 1.73, 42.21 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 81 + HD2 ARG 81 OK 100 100 100 100 2.5-3.7 3.4=100 QG2 VAL 83 - HD2 ARG 81 far 0 75 0 - 5.8-7.4 HG LEU 55 - HD2 ARG 81 far 0 73 0 - 6.1-8.3 QG2 VAL 5 - HD2 ARG 81 far 0 97 0 - 9.2-11.0 Violated in 0 structures by 0.00 A. Peak 3622 from cnoeabs.peaks (1.06, 1.73, 42.21 ppm; 4.33 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HD2 ARG 81 OK 100 100 100 100 3.3-3.7 3.4=100 HG2 LYS 82 - HD2 ARG 81 far 0 100 0 - 6.6-8.0 HB3 LEU 55 - HD2 ARG 81 far 0 77 0 - 7.9-10.1 Violated in 0 structures by 0.00 A. Peak 3623 from cnoeabs.peaks (0.43, 1.73, 42.21 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HD2 ARG 81 OK 100 100 100 100 2.4-3.0 3.0=100 QD1 LEU 55 + HD2 ARG 81 OK 69 99 75 93 4.4-6.1 9253/1.8=33, 3614/3.0=33...(17) Violated in 0 structures by 0.00 A. Peak 3624 from cnoeabs.peaks (0.74, 1.73, 42.21 ppm; 3.89 A): 2 out of 13 assignments used, quality = 1.00: * HG3 ARG 81 + HD2 ARG 81 OK 100 100 100 100 2.3-3.0 3.0=100 QD1 LEU 64 + HD2 ARG 81 OK 89 100 100 89 3.3-4.5 3633/1.8=34...(12) QD1 ILE 56 - HD2 ARG 81 far 0 73 0 - 6.2-9.2 QG1 VAL 58 - HD2 ARG 81 far 0 93 0 - 6.6-7.5 QG2 VAL 78 - HD2 ARG 81 far 0 94 0 - 7.6-9.1 QG1 VAL 5 - HD2 ARG 81 far 0 98 0 - 8.3-9.8 QD1 ILE 8 - HD2 ARG 81 far 0 77 0 - 8.6-10.0 HG13 ILE 93 - HD2 ARG 81 far 0 100 0 - 8.9-12.3 QD1 ILE 93 - HD2 ARG 81 far 0 77 0 - 9.0-11.5 HG13 ILE 56 - HD2 ARG 81 far 0 85 0 - 9.1-10.4 QG1 VAL 54 - HD2 ARG 81 far 0 90 0 - 9.8-11.7 QD2 LEU 14 - HD2 ARG 81 far 0 75 0 - 9.9-11.5 QG2 ILE 93 - HD2 ARG 81 far 0 99 0 - 10.0-12.7 Violated in 0 structures by 0.00 A. Peak 3625 from cnoeabs.peaks (1.73, 1.73, 42.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 81 + HD2 ARG 81 OK 100 100 - 100 Peak 3626 from cnoeabs.peaks (2.31, 1.73, 42.21 ppm; 2.92 A): 1 out of 2 assignments used, quality = 1.00: * HD3 ARG 81 + HD2 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 95 - HD2 ARG 81 far 0 63 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 3627 from cnoeabs.peaks (8.72, 1.73, 42.21 ppm; 5.53 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HD2 ARG 81 OK 100 100 100 100 2.4-3.6 7330/1.8=97...(11) H ARG 81 + HD2 ARG 81 OK 63 63 100 100 4.2-4.6 3.0/3620=92, ~3629=73...(15) Violated in 0 structures by 0.00 A. Peak 3628 from cnoeabs.peaks (8.76, 2.31, 42.21 ppm; 4.89 A): 2 out of 3 assignments used, quality = 1.00: * H ARG 81 + HD3 ARG 81 OK 100 100 100 100 3.8-5.1 3.0/3629=84, 7316/3.4=79...(15) H LYS 82 + HD3 ARG 81 OK 62 63 100 98 2.6-4.8 3.6/3629=76, 7330=53...(13) H SER 59 - HD3 ARG 81 far 0 59 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3629 from cnoeabs.peaks (4.36, 2.31, 42.21 ppm; 3.83 A): 1 out of 3 assignments used, quality = 1.00: * HA ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.2-2.9 3581=94, 3620/1.8=68...(19) HA SER 102 - HD3 ARG 81 far 0 94 0 - 7.3-15.2 HA ASP 61 - HD3 ARG 81 far 0 100 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 3630 from cnoeabs.peaks (0.93, 2.31, 42.21 ppm; 4.20 A): 1 out of 4 assignments used, quality = 1.00: * HB2 ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.6-3.7 3.4=100 QG2 VAL 83 - HD3 ARG 81 far 0 75 0 - 5.8-8.5 HG LEU 55 - HD3 ARG 81 far 0 73 0 - 5.9-8.1 QG2 VAL 5 - HD3 ARG 81 far 0 97 0 - 8.1-11.1 Violated in 0 structures by 0.00 A. Peak 3631 from cnoeabs.peaks (1.06, 2.31, 42.21 ppm; 4.51 A): 1 out of 3 assignments used, quality = 1.00: * HB3 ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.5-4.1 3.4=100 HB3 LEU 55 - HD3 ARG 81 far 0 77 0 - 6.3-10.1 HG2 LYS 82 - HD3 ARG 81 far 0 100 0 - 6.8-9.0 Violated in 0 structures by 0.00 A. Peak 3632 from cnoeabs.peaks (0.43, 2.31, 42.21 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.2-3.0 3.0=100 QD1 LEU 55 + HD3 ARG 81 OK 82 99 85 97 3.2-5.8 9253=35, 3614/3.0=34...(19) Violated in 0 structures by 0.00 A. Peak 3633 from cnoeabs.peaks (0.74, 2.31, 42.21 ppm; 3.98 A): 2 out of 15 assignments used, quality = 1.00: * HG3 ARG 81 + HD3 ARG 81 OK 100 100 100 100 2.5-3.0 3.0=100 QD1 LEU 64 + HD3 ARG 81 OK 91 100 100 91 3.7-4.7 7328/7330=37...(11) QD1 ILE 56 - HD3 ARG 81 far 4 73 5 - 5.1-8.9 QG2 VAL 78 - HD3 ARG 81 far 0 94 0 - 6.5-9.2 QG1 VAL 58 - HD3 ARG 81 far 0 93 0 - 6.8-8.1 QG1 VAL 5 - HD3 ARG 81 far 0 98 0 - 7.4-9.9 HG13 ILE 56 - HD3 ARG 81 far 0 85 0 - 8.0-10.7 QD1 ILE 8 - HD3 ARG 81 far 0 77 0 - 8.5-10.4 QG1 VAL 78 - HD3 ARG 81 far 0 100 0 - 8.8-11.5 QG1 VAL 54 - HD3 ARG 81 far 0 90 0 - 8.9-11.5 QD2 LEU 42 - HD3 ARG 81 far 0 82 0 - 9.0-12.2 HG13 ILE 93 - HD3 ARG 81 far 0 100 0 - 9.4-12.2 QD1 ILE 93 - HD3 ARG 81 far 0 77 0 - 9.4-11.9 QD1 LEU 6 - HD3 ARG 81 far 0 75 0 - 9.4-12.6 QD2 LEU 14 - HD3 ARG 81 far 0 75 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 3634 from cnoeabs.peaks (1.73, 2.31, 42.21 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HD2 ARG 81 + HD3 ARG 81 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 82 - HD3 ARG 81 far 3 59 5 - 4.3-7.7 HB ILE 56 - HD3 ARG 81 far 0 61 0 - 5.9-8.2 Violated in 0 structures by 0.00 A. Peak 3635 from cnoeabs.peaks (2.31, 2.31, 42.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 81 + HD3 ARG 81 OK 100 100 - 100 Peak 3636 from cnoeabs.peaks (8.72, 2.31, 42.21 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HD3 ARG 81 OK 100 100 100 100 2.6-4.8 7330=100, 7324/3629=86...(13) H ARG 81 + HD3 ARG 81 OK 63 63 100 100 3.8-5.1 3.0/3629=85, ~3620=57...(15) Violated in 0 structures by 0.00 A. Peak 3637 from cnoeabs.peaks (8.72, 4.70, 54.96 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HA LYS 82 OK 100 100 100 100 2.9-2.9 3.0=100 H ARG 81 + HA LYS 82 OK 63 63 100 99 4.4-4.7 ~7324=51, 10926/9372=38...(22) Violated in 0 structures by 0.00 A. Peak 3638 from cnoeabs.peaks (4.70, 4.70, 54.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HA LYS 82 OK 100 100 - 100 Peak 3639 from cnoeabs.peaks (1.34, 4.70, 54.96 ppm; 4.84 A): 1 out of 6 assignments used, quality = 1.00: * HB2 LYS 82 + HA LYS 82 OK 100 100 100 100 2.4-2.8 3.0=100 QB ALA 89 - HA LYS 82 far 0 100 0 - 6.6-7.5 QB ALA 67 - HA LYS 82 far 0 100 0 - 6.9-7.8 HG12 ILE 8 - HA LYS 82 far 0 92 0 - 6.9-9.1 HG3 LYS 68 - HA LYS 82 far 0 100 0 - 8.4-11.7 HG LEU 14 - HA LYS 82 far 0 100 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 3640 from cnoeabs.peaks (1.76, 4.70, 54.96 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 82 + HA LYS 82 OK 100 100 100 100 2.9-3.0 3.0=100 HD2 ARG 81 + HA LYS 82 OK 23 59 45 84 4.9-6.2 ~7330=31, 7329/3.0=24...(14) HB3 GLU 63 - HA LYS 82 far 0 97 0 - 5.5-8.1 HB ILE 56 - HA LYS 82 far 0 100 0 - 5.9-7.9 Violated in 0 structures by 0.00 A. Peak 3647 from cnoeabs.peaks (9.11, 4.70, 54.96 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HA LYS 82 OK 100 100 100 100 2.1-2.2 7343=100, 7354/9785=36...(18) Violated in 0 structures by 0.00 A. Peak 3648 from cnoeabs.peaks (8.72, 1.34, 32.60 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.1-2.7 7332=100, 3659/1.8=78...(18) H ARG 81 - HB2 LYS 82 far 10 63 15 - 5.3-5.8 Violated in 0 structures by 0.00 A. Peak 3649 from cnoeabs.peaks (4.70, 1.34, 32.60 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HA LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.4-2.8 3.0=100 HA LEU 55 - HB3 ARG 30 far 0 40 0 - 9.4-11.2 Violated in 0 structures by 0.00 A. Peak 3650 from cnoeabs.peaks (1.34, 1.34, 32.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 82 + HB2 LYS 82 OK 100 100 - 100 HB3 ARG 30 + HB3 ARG 30 OK 43 43 - 100 Peak 3651 from cnoeabs.peaks (1.76, 1.34, 32.60 ppm; 2.91 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 81 - HB2 LYS 82 far 0 59 0 - 4.5-5.9 HB3 GLU 63 - HB2 LYS 82 far 0 97 0 - 5.8-9.2 HB2 GLU 28 - HB3 ARG 30 far 0 50 0 - 6.5-8.1 HB ILE 56 - HB2 LYS 82 far 0 100 0 - 6.8-8.9 HG3 ARG 19 - HB3 ARG 30 far 0 62 0 - 6.9-10.1 HB ILE 56 - HB3 ARG 30 far 0 62 0 - 8.7-10.5 HB VAL 78 - HB3 ARG 30 far 0 55 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 3652 from cnoeabs.peaks (1.06, 1.34, 32.60 ppm; 3.94 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.2-2.7 2.9=100 HB3 ARG 81 - HB2 LYS 82 far 0 100 0 - 6.3-6.9 HB3 LEU 55 - HB3 ARG 30 far 0 35 0 - 8.5-11.9 Violated in 0 structures by 0.00 A. Peak 3653 from cnoeabs.peaks (1.14, 1.34, 32.60 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * HG3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.9-3.0 2.9=100 QG2 THR 31 + HB3 ARG 30 OK 38 62 80 76 4.7-5.8 6501/4.7=40, 1385/3.0=26...(10) HB2 LEU 29 - HB3 ARG 30 far 0 50 0 - 6.3-7.0 HG2 LYS 40 - HB3 ARG 30 far 0 52 0 - 8.4-11.2 QG2 THR 34 - HB3 ARG 30 far 0 32 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 3654 from cnoeabs.peaks (1.46, 1.34, 32.60 ppm; 3.76 A): 3 out of 14 assignments used, quality = 1.00: * HD2 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.3-3.7 3.5=100 HG LEU 64 + HB2 LYS 82 OK 77 91 85 100 3.8-5.4 2.1/10252=73...(26) HB3 LEU 64 + HB2 LYS 82 OK 75 75 100 99 2.0-3.9 3.1/10252=58...(30) HG LEU 29 - HB3 ARG 30 poor 20 48 55 75 4.6-7.5 1294/4.0=32, ~8683=18...(14) QB ALA 22 - HB3 ARG 30 far 0 48 0 - 6.7-7.8 HG LEU 38 - HB3 ARG 30 far 0 62 0 - 6.8-10.6 HD2 LYS 40 - HB3 ARG 30 far 0 61 0 - 7.2-12.9 HB2 LEU 38 - HB3 ARG 30 far 0 62 0 - 7.6-10.7 HG12 ILE 7 - HB3 ARG 30 far 0 35 0 - 8.3-9.4 HD3 LYS 40 - HB3 ARG 30 far 0 61 0 - 8.3-12.1 HB2 LEU 27 - HB3 ARG 30 far 0 62 0 - 8.7-10.9 HG2 LYS 66 - HB2 LYS 82 far 0 73 0 - 9.3-12.9 HG12 ILE 7 - HB2 LYS 82 far 0 68 0 - 9.4-11.5 HG3 LYS 66 - HB2 LYS 82 far 0 70 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 3655 from cnoeabs.peaks (1.57, 1.34, 32.60 ppm; 3.53 A): 3 out of 13 assignments used, quality = 1.00: * HD3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 3.5-3.9 3.5=98, 3.0/3657=39...(24) HG3 ARG 30 + HB3 ARG 30 OK 34 34 100 100 2.7-2.9 2.9=100 HB2 ARG 30 + HB3 ARG 30 OK 32 32 100 100 1.8-1.8 1.8=100 HB3 GLU 28 - HB3 ARG 30 far 0 62 0 - 5.4-6.7 HB3 LEU 29 - HB3 ARG 30 far 0 41 0 - 6.1-7.5 HG2 ARG 19 - HB3 ARG 30 far 0 53 0 - 6.5-10.8 HG12 ILE 56 - HB3 ARG 30 far 0 35 0 - 6.7-10.2 HG LEU 103 - HB2 LYS 82 far 0 96 0 - 8.3-21.9 HG12 ILE 56 - HB2 LYS 82 far 0 68 0 - 8.8-11.3 HG2 ARG 79 - HB2 LYS 82 far 0 73 0 - 8.9-12.6 HG2 LYS 33 - HB3 ARG 30 far 0 54 0 - 9.0-11.1 HG3 ARG 79 - HB2 LYS 82 far 0 75 0 - 9.5-12.5 HB2 LEU 103 - HB2 LYS 82 far 0 93 0 - 9.8-20.6 Violated in 0 structures by 0.00 A. Peak 3656 from cnoeabs.peaks (2.74, 1.34, 32.60 ppm; 4.89 A): 2 out of 5 assignments used, quality = 1.00: * HE2 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.3-4.3 4.8=100 HB3 ASP 61 + HB2 LYS 82 OK 82 100 85 96 5.2-6.9 3.0/9446=59, 3711/3.5=37...(15) HB2 ASP 65 - HB2 LYS 82 far 4 87 5 - 6.4-9.4 HE3 LYS 40 - HB3 ARG 30 far 0 40 0 - 8.5-11.9 HE2 LYS 40 - HB3 ARG 30 far 0 41 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 3657 from cnoeabs.peaks (2.85, 1.34, 32.60 ppm; 4.50 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HB2 LYS 82 OK 100 100 100 100 2.0-4.0 3668/1.8=88, 4.8=82...(16) HB2 ASN 60 - HB2 LYS 82 far 0 63 0 - 6.7-7.9 Violated in 0 structures by 0.00 A. Peak 3658 from cnoeabs.peaks (9.11, 1.34, 32.60 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 83 + HB2 LYS 82 OK 100 100 100 100 4.2-4.5 7343/3.0=86, 4.6=85...(20) H ARG 30 + HB3 ARG 30 OK 54 54 100 100 2.7-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3659 from cnoeabs.peaks (8.72, 1.76, 32.60 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.4-3.1 7332/1.8=84, 4.0=82...(16) H ARG 81 - HB3 LYS 82 far 0 63 0 - 6.1-6.8 Violated in 0 structures by 0.00 A. Peak 3660 from cnoeabs.peaks (4.70, 1.76, 32.60 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.9-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3661 from cnoeabs.peaks (1.34, 1.76, 32.60 ppm; 2.89 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 82 + HB3 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 89 - HB3 LYS 82 far 0 100 0 - 8.1-9.0 QB ALA 67 - HB3 LYS 82 far 0 100 0 - 8.4-9.7 HG3 LYS 68 - HB3 LYS 82 far 0 100 0 - 8.9-12.7 HG12 ILE 8 - HB3 LYS 82 far 0 92 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 3662 from cnoeabs.peaks (1.76, 1.76, 32.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 82 + HB3 LYS 82 OK 100 100 - 100 Peak 3663 from cnoeabs.peaks (1.06, 1.76, 32.60 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.9-3.0 2.9=100 HB3 ARG 81 - HB3 LYS 82 far 0 100 0 - 6.7-7.2 Violated in 0 structures by 0.00 A. Peak 3664 from cnoeabs.peaks (1.14, 1.76, 32.60 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.2-2.8 2.9=100 Violated in 0 structures by 0.00 A. Peak 3665 from cnoeabs.peaks (1.46, 1.76, 32.60 ppm; 3.76 A): 2 out of 4 assignments used, quality = 1.00: * HD2 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.4-3.6 3.5=100 HB3 LEU 64 + HB3 LYS 82 OK 70 75 95 98 3.7-5.4 3.1/9758=47, ~10252=35...(24) HG LEU 64 - HB3 LYS 82 far 9 91 10 - 5.2-7.1 HG12 ILE 7 - HB3 LYS 82 far 0 68 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 3666 from cnoeabs.peaks (1.57, 1.76, 32.60 ppm; 4.11 A): 1 out of 6 assignments used, quality = 1.00: * HD3 LYS 82 + HB3 LYS 82 OK 100 100 100 100 3.5-4.0 3.5=100 HG LEU 103 - HB3 LYS 82 far 0 96 0 - 8.8-22.1 HG2 ARG 79 - HB3 LYS 82 far 0 73 0 - 9.2-13.4 HG3 ARG 79 - HB3 LYS 82 far 0 75 0 - 9.7-12.9 HB2 LEU 103 - HB3 LYS 82 far 0 93 0 - 9.8-20.9 HG12 ILE 56 - HB3 LYS 82 far 0 68 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 3667 from cnoeabs.peaks (2.74, 1.76, 32.60 ppm; 4.66 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.0-4.1 3717=100, 1.8/3668=91...(23) HB3 ASP 61 + HB3 LYS 82 OK 28 100 30 95 5.6-7.3 ~9446=40, 3711/3.5=34...(12) HB2 ASP 65 - HB3 LYS 82 far 0 87 0 - 7.7-11.0 Violated in 0 structures by 0.00 A. Peak 3668 from cnoeabs.peaks (2.85, 1.76, 32.60 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HB3 LYS 82 OK 100 100 100 100 2.3-3.1 1.8/3717=75, 3657/1.8=65...(19) HB2 ASN 60 - HB3 LYS 82 far 0 63 0 - 7.9-8.4 Violated in 0 structures by 0.00 A. Peak 3669 from cnoeabs.peaks (9.11, 1.76, 32.60 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HB3 LYS 82 OK 100 100 100 100 3.5-4.3 4.6=100 Violated in 0 structures by 0.00 A. Peak 3670 from cnoeabs.peaks (8.72, 1.06, 25.00 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 82 + HG2 LYS 82 OK 100 100 100 100 3.9-4.6 5.1=100 H ARG 81 + HG2 LYS 82 OK 49 63 80 96 5.9-7.3 ~9743=43, 4.7/7334=36...(13) Violated in 0 structures by 0.00 A. Peak 3671 from cnoeabs.peaks (4.70, 1.06, 25.00 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.1-3.1 3.9=100 Violated in 0 structures by 0.00 A. Peak 3672 from cnoeabs.peaks (1.34, 1.06, 25.00 ppm; 3.82 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.2-2.7 2.9=100 QB ALA 67 - HG2 LYS 82 far 0 100 0 - 7.1-8.3 HG12 ILE 8 - HG2 LYS 82 far 0 92 0 - 7.8-9.7 QB ALA 89 - HG2 LYS 82 far 0 100 0 - 8.1-9.2 HG3 LYS 68 - HG2 LYS 82 far 0 100 0 - 8.4-12.3 Violated in 0 structures by 0.00 A. Peak 3673 from cnoeabs.peaks (1.76, 1.06, 25.00 ppm; 3.92 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.9-3.0 2.9=100 HB3 GLU 63 + HG2 LYS 82 OK 52 97 85 64 4.5-7.8 9414/9418=29...(8) HD2 ARG 81 - HG2 LYS 82 far 0 59 0 - 6.6-8.0 HB ILE 56 - HG2 LYS 82 far 0 100 0 - 7.8-9.6 HB2 LYS 66 - HG2 LYS 82 far 0 100 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 3674 from cnoeabs.peaks (1.06, 1.06, 25.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 82 + HG2 LYS 82 OK 100 100 - 100 Peak 3675 from cnoeabs.peaks (1.14, 1.06, 25.00 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 3676 from cnoeabs.peaks (1.46, 1.06, 25.00 ppm; 4.29 A): 3 out of 6 assignments used, quality = 1.00: * HD2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-3.0 2.9=100 HB3 LEU 64 + HG2 LYS 82 OK 75 75 100 100 2.5-3.7 ~9762=40, 3.1/9761=36...(39) HG LEU 64 + HG2 LYS 82 OK 68 91 75 100 4.8-6.4 ~9762=51, ~10252=45...(33) HG2 LYS 66 - HG2 LYS 82 far 0 73 0 - 8.2-12.0 HG12 ILE 7 - HG2 LYS 82 far 0 68 0 - 8.7-10.4 HG3 LYS 66 - HG2 LYS 82 far 0 70 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 3677 from cnoeabs.peaks (1.57, 1.06, 25.00 ppm; 3.96 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.3-2.5 2.9=100 HD2 LYS 66 - HG2 LYS 82 far 0 68 0 - 9.9-13.1 HG12 ILE 56 - HG2 LYS 82 far 0 68 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 3678 from cnoeabs.peaks (2.74, 1.06, 25.00 ppm; 4.36 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.4-4.1 3.9=100 HB3 ASP 61 + HG2 LYS 82 OK 76 100 80 95 4.4-6.4 3711/2.9=35, ~9766=29...(21) HB2 ASP 65 - HG2 LYS 82 far 0 87 0 - 6.8-10.1 Violated in 0 structures by 0.00 A. Peak 3679 from cnoeabs.peaks (2.85, 1.06, 25.00 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HG2 LYS 82 OK 100 100 100 100 2.5-3.9 3.9=100 HB2 ASN 60 + HG2 LYS 82 OK 61 63 100 96 5.0-5.6 4.0/9418=49, ~10938=44...(9) Violated in 0 structures by 0.00 A. Peak 3680 from cnoeabs.peaks (9.11, 1.06, 25.00 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HG2 LYS 82 OK 100 100 100 100 2.9-4.0 7346=100, 7347/1.8=88...(19) Violated in 0 structures by 0.00 A. Peak 3681 from cnoeabs.peaks (8.72, 1.14, 25.00 ppm; 5.51 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HG3 LYS 82 OK 100 100 100 100 4.4-4.7 5.1=100 H ARG 81 - HG3 LYS 82 poor 16 63 25 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 3682 from cnoeabs.peaks (4.70, 1.14, 25.00 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.4-3.3 3.9=100 Violated in 0 structures by 0.00 A. Peak 3683 from cnoeabs.peaks (1.34, 1.14, 25.00 ppm; 3.39 A): 2 out of 11 assignments used, quality = 1.00: * HB2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.9-3.0 2.9=100 HG3 LYS 40 + HG2 LYS 40 OK 43 43 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HG2 LYS 40 far 0 49 0 - 5.1-9.5 QB ALA 89 - HG3 LYS 82 far 0 100 0 - 7.6-9.0 QB ALA 67 - HG3 LYS 82 far 0 100 0 - 8.1-9.7 HB3 ARG 30 - HG2 LYS 40 far 0 34 0 - 8.4-11.2 HG12 ILE 8 - HG3 LYS 82 far 0 92 0 - 8.4-10.5 HG3 LYS 68 - HG3 LYS 82 far 0 100 0 - 9.8-13.3 QB ALA 67 - HG2 LYS 40 far 0 48 0 - 10.0-11.3 HG LEU 14 - HG3 LYS 82 far 0 100 0 - 10.0-11.6 HB2 LEU 70 - HG2 LYS 40 far 0 35 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 3684 from cnoeabs.peaks (1.76, 1.14, 25.00 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.2-2.8 2.9=100 HB3 GLU 63 - HG3 LYS 82 far 0 97 0 - 5.5-9.5 HD2 ARG 81 - HG3 LYS 82 far 0 59 0 - 6.8-8.1 HB2 LYS 39 - HG2 LYS 40 far 0 28 0 - 6.8-8.1 HB ILE 56 - HG3 LYS 82 far 0 100 0 - 8.5-11.1 HG3 ARG 46 - HG2 LYS 40 far 0 38 0 - 8.8-12.1 Violated in 0 structures by 0.00 A. Peak 3685 from cnoeabs.peaks (1.06, 1.14, 25.00 ppm; 2.85 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 81 - HG3 LYS 82 far 0 100 0 - 7.8-8.6 Violated in 0 structures by 0.00 A. Peak 3686 from cnoeabs.peaks (1.14, 1.14, 25.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 82 + HG3 LYS 82 OK 100 100 - 100 HG2 LYS 40 + HG2 LYS 40 OK 41 41 - 100 Peak 3687 from cnoeabs.peaks (1.46, 1.14, 25.00 ppm; 3.61 A): 4 out of 11 assignments used, quality = 1.00: * HD2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.3-3.0 2.9=100 HB3 LEU 64 + HG3 LYS 82 OK 63 75 85 99 4.1-5.3 3.1/9762=42, 3665/2.9=22...(33) HD2 LYS 40 + HG2 LYS 40 OK 49 49 100 100 2.2-2.9 3.0=100 HD3 LYS 40 + HG2 LYS 40 OK 48 48 100 100 2.2-2.9 3.0=100 HG3 LYS 39 - HG2 LYS 40 poor 8 42 20 - 4.8-9.2 HG LEU 64 - HG3 LYS 82 far 0 91 0 - 6.6-7.3 HG LEU 38 - HG2 LYS 40 far 0 49 0 - 8.5-11.4 HG12 ILE 7 - HG3 LYS 82 far 0 68 0 - 8.5-10.1 HB2 LEU 38 - HG2 LYS 40 far 0 49 0 - 8.6-9.4 HG2 LYS 47 - HG2 LYS 40 far 0 30 0 - 8.7-11.3 HG2 LYS 66 - HG3 LYS 82 far 0 73 0 - 9.8-13.6 Violated in 0 structures by 0.00 A. Peak 3688 from cnoeabs.peaks (1.57, 1.14, 25.00 ppm; 3.87 A): 1 out of 4 assignments used, quality = 1.00: * HD3 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.4-2.7 2.9=100 HB2 ARG 30 - HG2 LYS 40 far 0 25 0 - 7.7-11.1 HG3 ARG 30 - HG2 LYS 40 far 0 26 0 - 9.2-12.7 HG2 LYS 33 - HG2 LYS 40 far 0 42 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 3689 from cnoeabs.peaks (2.74, 1.14, 25.00 ppm; 4.39 A): 4 out of 5 assignments used, quality = 1.00: * HE2 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.1-3.8 3.9=100 HB3 ASP 61 + HG3 LYS 82 OK 33 100 35 96 5.4-7.2 3711/2.9=35, 3678/1.8=34...(17) HE2 LYS 40 + HG2 LYS 40 OK 32 32 100 100 2.6-4.0 4.0=100 HE3 LYS 40 + HG2 LYS 40 OK 31 31 100 100 2.1-4.0 4.0=100 HB2 ASP 65 - HG3 LYS 82 far 0 87 0 - 8.5-11.1 Violated in 0 structures by 0.00 A. Peak 3690 from cnoeabs.peaks (2.85, 1.14, 25.00 ppm; 4.95 A): 2 out of 4 assignments used, quality = 1.00: * HE3 LYS 82 + HG3 LYS 82 OK 100 100 100 100 2.1-3.8 3.9=100 HB2 ASN 60 + HG3 LYS 82 OK 58 63 95 96 5.5-6.8 4.0/9417=60, ~10938=45...(8) HE3 LYS 39 - HG2 LYS 40 poor 10 39 25 - 5.8-11.0 HE2 LYS 39 - HG2 LYS 40 poor 9 43 20 - 5.6-11.4 Violated in 0 structures by 0.00 A. Peak 3691 from cnoeabs.peaks (9.11, 1.14, 25.00 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HG3 LYS 82 OK 100 100 100 100 2.5-3.8 7347=100, 7346/1.8=91...(16) Violated in 0 structures by 0.00 A. Peak 3692 from cnoeabs.peaks (8.72, 1.46, 28.90 ppm; 6.14 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HD2 LYS 82 OK 100 100 100 100 4.5-5.2 5.8=100 H ARG 81 - HD2 LYS 82 poor 19 63 35 88 6.4-8.6 10247/10940=32...(9) Violated in 0 structures by 0.00 A. Peak 3693 from cnoeabs.peaks (4.70, 1.46, 28.90 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HD2 LYS 82 OK 100 100 100 100 3.7-4.6 5.1=96, 3704/1.8=83...(34) Violated in 0 structures by 0.00 A. Peak 3694 from cnoeabs.peaks (1.34, 1.46, 28.90 ppm; 2.98 A): 3 out of 16 assignments used, quality = 1.00: * HB2 LYS 82 + HD2 LYS 82 OK 98 100 100 98 2.3-3.7 3.5=59, 3655/1.8=31...(25) HG3 LYS 40 + HD2 LYS 40 OK 95 95 100 100 2.2-2.9 3.0=100 HG3 LYS 40 + HD3 LYS 40 OK 94 94 100 100 2.7-2.9 3.0=100 HG2 LYS 39 - HD3 LYS 40 far 0 99 0 - 4.7-9.2 HG2 LYS 94 - HB2 ARG 91 far 0 34 0 - 5.1-8.8 HG2 LYS 39 - HD2 LYS 40 far 0 100 0 - 5.4-9.8 QB ALA 89 - HB2 ARG 91 far 0 34 0 - 5.7-7.1 HB3 ARG 30 - HD2 LYS 40 far 0 79 0 - 7.2-12.9 QB ALA 67 - HD2 LYS 82 far 0 100 0 - 7.5-10.3 HG3 LYS 68 - HD2 LYS 82 far 0 100 0 - 7.9-13.2 HB3 ARG 30 - HD3 LYS 40 far 0 79 0 - 8.3-12.1 HG LEU 14 - HB2 ARG 91 far 0 33 0 - 8.6-10.3 HG12 ILE 8 - HD2 LYS 82 far 0 92 0 - 8.9-12.6 QB ALA 89 - HD2 LYS 82 far 0 100 0 - 9.1-10.9 QB ALA 67 - HD2 LYS 40 far 0 99 0 - 9.2-12.3 QB ALA 25 - HB2 ARG 91 far 0 34 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 3695 from cnoeabs.peaks (1.76, 1.46, 28.90 ppm; 4.07 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.4-3.6 3.5=100 HB3 GLU 63 - HD2 LYS 82 far 10 97 10 - 5.4-8.6 HD2 LYS 90 - HB2 ARG 91 poor 7 25 30 - 3.6-7.0 HB2 LYS 39 - HD3 LYS 40 far 0 68 0 - 5.8-8.8 HB2 LYS 39 - HD2 LYS 40 far 0 68 0 - 6.5-8.4 HD2 ARG 81 - HD2 LYS 82 far 0 59 0 - 6.9-8.0 HB ILE 56 - HD2 LYS 82 far 0 100 0 - 8.6-11.1 HB2 LYS 66 - HD2 LYS 82 far 0 100 0 - 8.7-13.4 Violated in 0 structures by 0.00 A. Peak 3696 from cnoeabs.peaks (1.06, 1.46, 28.90 ppm; 3.86 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 ARG 91 + HB2 ARG 91 OK 30 30 100 100 2.4-3.0 2.8=100 HB3 ARG 81 - HD2 LYS 82 far 0 100 0 - 8.3-9.4 HB3 ARG 81 - HB2 ARG 91 far 0 33 0 - 9.5-10.9 Violated in 0 structures by 0.00 A. Peak 3697 from cnoeabs.peaks (1.14, 1.46, 28.90 ppm; 3.31 A): 3 out of 5 assignments used, quality = 1.00: * HG3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.3-3.0 2.9=100 HG2 LYS 40 + HD2 LYS 40 OK 91 91 100 100 2.2-2.9 3.0=100 HG2 LYS 40 + HD3 LYS 40 OK 90 90 100 100 2.2-2.9 3.0=100 QG2 THR 34 - HD3 LYS 40 far 0 62 0 - 7.3-10.4 QG2 THR 34 - HD2 LYS 40 far 0 62 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 3698 from cnoeabs.peaks (1.46, 1.46, 28.90 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 82 + HD2 LYS 82 OK 100 100 - 100 HD2 LYS 40 + HD2 LYS 40 OK 99 99 - 100 HD3 LYS 40 + HD3 LYS 40 OK 99 99 - 100 HB2 ARG 91 + HB2 ARG 91 OK 23 23 - 100 Peak 3699 from cnoeabs.peaks (1.57, 1.46, 28.90 ppm; 2.67 A): 1 out of 10 assignments used, quality = 1.00: * HD3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 LYS 90 - HB2 ARG 91 far 0 29 0 - 4.2-7.5 HB2 ARG 30 - HD2 LYS 40 far 0 62 0 - 6.8-12.6 HB2 ARG 30 - HD3 LYS 40 far 0 62 0 - 7.7-11.9 HB2 LEU 103 - HB2 ARG 91 far 0 28 0 - 8.1-18.1 HG3 ARG 30 - HD2 LYS 40 far 0 64 0 - 8.1-14.4 HG3 ARG 30 - HD3 LYS 40 far 0 64 0 - 8.8-13.7 HG2 LYS 33 - HD3 LYS 40 far 0 92 0 - 9.1-12.0 HG LEU 103 - HB2 ARG 91 far 0 30 0 - 9.1-19.1 HG2 LYS 33 - HD2 LYS 40 far 0 93 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 3700 from cnoeabs.peaks (2.74, 1.46, 28.90 ppm; 3.49 A): 6 out of 7 assignments used, quality = 1.00: * HE2 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 40 + HD2 LYS 40 OK 76 76 100 100 2.4-3.0 3.0=100 HE2 LYS 40 + HD3 LYS 40 OK 75 75 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD2 LYS 40 OK 74 74 100 100 2.3-3.0 3.0=100 HE3 LYS 40 + HD3 LYS 40 OK 73 73 100 100 2.4-3.0 3.0=100 HB3 ASP 61 + HD2 LYS 82 OK 70 100 80 88 2.8-6.6 3.0/9766=33, 3711/1.8=30...(17) HB2 ASP 65 - HD2 LYS 82 far 0 87 0 - 5.9-9.0 Violated in 0 structures by 0.00 A. Peak 3701 from cnoeabs.peaks (2.85, 1.46, 28.90 ppm; 3.95 A): 1 out of 6 assignments used, quality = 1.00: * HE3 LYS 82 + HD2 LYS 82 OK 100 100 100 100 2.3-3.0 3.0=100 HE2 LYS 39 - HD3 LYS 40 poor 19 94 20 - 4.3-10.5 HE2 LYS 39 - HD2 LYS 40 far 14 95 15 - 5.1-11.3 HE3 LYS 39 - HD2 LYS 40 far 9 88 10 - 5.2-10.5 HE3 LYS 39 - HD3 LYS 40 lone 1 88 25 6 4.7-10.0 10564/8802=3, 3.0/1841=2 HB2 ASN 60 - HD2 LYS 82 far 0 63 0 - 5.6-7.8 Violated in 0 structures by 0.00 A. Peak 3702 from cnoeabs.peaks (9.11, 1.46, 28.90 ppm; 6.01 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HD2 LYS 82 OK 100 100 100 100 4.4-5.5 7346/2.9=99, 7347/2.9=99...(17) Violated in 0 structures by 0.00 A. Peak 3703 from cnoeabs.peaks (8.72, 1.57, 28.90 ppm; 5.77 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HD3 LYS 82 OK 100 100 100 100 5.7-5.9 7337=100, 7332/3.5=96...(16) H ARG 81 - HD3 LYS 82 far 0 63 0 - 7.9-9.3 Violated in 13 structures by 0.05 A. Peak 3704 from cnoeabs.peaks (4.70, 1.57, 28.90 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HD3 LYS 82 OK 100 100 100 100 4.4-5.0 5.1=90, 3693/1.8=77...(32) Violated in 1 structures by 0.00 A. Peak 3705 from cnoeabs.peaks (1.34, 1.57, 28.90 ppm; 3.65 A): 1 out of 5 assignments used, quality = 1.00: * HB2 LYS 82 + HD3 LYS 82 OK 100 100 100 100 3.5-3.9 3.5=100 QB ALA 67 - HD3 LYS 82 far 0 100 0 - 8.6-10.0 HG3 LYS 68 - HD3 LYS 82 far 0 100 0 - 9.3-13.3 QB ALA 89 - HD3 LYS 82 far 0 100 0 - 9.7-10.6 HG12 ILE 8 - HD3 LYS 82 far 0 92 0 - 9.7-11.8 Violated in 9 structures by 0.06 A. Peak 3706 from cnoeabs.peaks (1.76, 1.57, 28.90 ppm; 4.99 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 82 + HD3 LYS 82 OK 100 100 100 100 3.5-4.0 3.5=100 HB3 GLU 63 + HD3 LYS 82 OK 54 97 70 80 5.7-8.2 3673/2.9=29...(8) HD2 ARG 81 - HD3 LYS 82 far 0 59 0 - 8.1-9.4 HB2 LYS 66 - HD3 LYS 82 far 0 100 0 - 9.5-12.6 HB ILE 56 - HD3 LYS 82 far 0 100 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 3707 from cnoeabs.peaks (1.06, 1.57, 28.90 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.3-2.5 2.9=100 HB3 ARG 81 - HD3 LYS 82 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 3708 from cnoeabs.peaks (1.14, 1.57, 28.90 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.4-2.7 2.9=100 Violated in 0 structures by 0.00 A. Peak 3709 from cnoeabs.peaks (1.46, 1.57, 28.90 ppm; 2.57 A): 1 out of 4 assignments used, quality = 1.00: * HD2 LYS 82 + HD3 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 64 - HD3 LYS 82 far 8 75 10 - 4.0-5.9 HG LEU 64 - HD3 LYS 82 far 0 91 0 - 5.9-7.2 HG2 LYS 66 - HD3 LYS 82 far 0 73 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 3710 from cnoeabs.peaks (1.57, 1.57, 28.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 82 + HD3 LYS 82 OK 100 100 - 100 Peak 3711 from cnoeabs.peaks (2.74, 1.57, 28.90 ppm; 3.87 A): 2 out of 3 assignments used, quality = 1.00: * HE2 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 ASP 61 + HD3 LYS 82 OK 94 100 100 94 3.0-5.3 3.0/9767=38, 4.0/9443=32...(18) HB2 ASP 65 - HD3 LYS 82 far 0 87 0 - 6.9-9.1 Violated in 0 structures by 0.00 A. Peak 3712 from cnoeabs.peaks (2.85, 1.57, 28.90 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 82 + HD3 LYS 82 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 ASN 60 + HD3 LYS 82 OK 47 63 80 94 4.9-6.3 3.0/10938=63...(12) Violated in 0 structures by 0.00 A. Peak 3713 from cnoeabs.peaks (9.11, 1.57, 28.90 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HD3 LYS 82 OK 100 100 100 100 4.9-5.5 7349=100, 7346/2.9=94...(15) Violated in 3 structures by 0.01 A. Peak 3714 from cnoeabs.peaks (8.72, 2.74, 41.51 ppm; 6.02 A): 1 out of 2 assignments used, quality = 1.00: * H LYS 82 + HE2 LYS 82 OK 100 100 100 100 4.2-6.0 9754/1.8=98...(17) H ARG 81 - HE2 LYS 82 far 10 63 15 - 7.2-9.2 Violated in 0 structures by 0.00 A. Peak 3715 from cnoeabs.peaks (4.70, 2.74, 41.51 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 82 + HE2 LYS 82 OK 100 100 100 100 4.4-5.4 3726/1.8=94, 3.0/3717=89...(26) Violated in 1 structures by 0.00 A. Peak 3716 from cnoeabs.peaks (1.34, 2.74, 41.51 ppm; 4.25 A): 2 out of 7 assignments used, quality = 1.00: * HB2 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.3-4.3 1.8/3717=81, 3657/1.8=71...(22) HG3 LYS 40 + HE2 LYS 40 OK 34 34 100 100 2.2-4.1 4.0=100 HG2 LYS 39 - HE2 LYS 40 far 0 38 0 - 6.9-11.5 QB ALA 67 - HE2 LYS 82 far 0 100 0 - 8.0-11.0 QB ALA 89 - HE2 LYS 82 far 0 100 0 - 8.6-11.2 HG3 LYS 68 - HE2 LYS 82 far 0 100 0 - 8.6-14.2 HB3 ARG 30 - HE2 LYS 40 far 0 26 0 - 9.4-12.9 Violated in 0 structures by 0.00 A. Peak 3717 from cnoeabs.peaks (1.76, 2.74, 41.51 ppm; 4.09 A): 1 out of 5 assignments used, quality = 1.00: * HB3 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.0-4.1 3668/1.8=77, 4.8=62...(23) HB3 GLU 63 - HE2 LYS 82 far 0 97 0 - 5.9-10.5 HD2 ARG 81 - HE2 LYS 82 far 0 59 0 - 6.5-9.1 HB2 LYS 39 - HE2 LYS 40 far 0 21 0 - 8.2-9.9 HB ILE 56 - HE2 LYS 82 far 0 100 0 - 9.3-12.5 Violated in 0 structures by 0.00 A. Peak 3718 from cnoeabs.peaks (1.06, 2.74, 41.51 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.4-4.1 3.9=100 HB3 ARG 81 - HE2 LYS 82 far 0 100 0 - 8.7-10.2 Violated in 5 structures by 0.02 A. Peak 3719 from cnoeabs.peaks (1.14, 2.74, 41.51 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.1-3.8 3.9=100 HG2 LYS 40 + HE2 LYS 40 OK 31 31 100 100 2.6-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 3720 from cnoeabs.peaks (1.46, 2.74, 41.51 ppm; 3.78 A): 4 out of 9 assignments used, quality = 1.00: * HD2 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 40 + HE2 LYS 40 OK 38 38 100 100 2.4-3.0 3.0=100 HD3 LYS 40 + HE2 LYS 40 OK 38 38 100 100 2.3-3.0 3.0=100 HB3 LEU 64 + HE2 LYS 82 OK 28 75 40 93 3.2-7.1 3.1/12331=32...(26) HG LEU 64 - HE2 LYS 82 far 14 91 15 - 4.1-8.2 HG3 LYS 39 - HE2 LYS 40 far 0 33 0 - 7.1-11.1 HG2 LYS 66 - HE2 LYS 82 far 0 73 0 - 8.8-13.9 HG LEU 38 - HE2 LYS 40 far 0 38 0 - 9.3-13.0 HB2 LEU 38 - HE2 LYS 40 far 0 38 0 - 9.8-11.6 Violated in 0 structures by 0.00 A. Peak 3721 from cnoeabs.peaks (1.57, 2.74, 41.51 ppm; 3.70 A): 1 out of 3 assignments used, quality = 1.00: * HD3 LYS 82 + HE2 LYS 82 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 33 - HE2 LYS 40 far 0 33 0 - 8.2-11.9 HG LEU 103 - HE2 LYS 82 far 0 96 0 - 9.4-24.2 Violated in 0 structures by 0.00 A. Peak 3722 from cnoeabs.peaks (2.74, 2.74, 41.51 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 82 + HE2 LYS 82 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 24 24 - 100 Peak 3723 from cnoeabs.peaks (2.85, 2.74, 41.51 ppm; 2.59 A): 1 out of 4 assignments used, quality = 1.00: * HE3 LYS 82 + HE2 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 60 - HE2 LYS 82 far 0 63 0 - 5.8-8.5 HE2 LYS 39 - HE2 LYS 40 far 0 34 0 - 6.6-12.8 HE3 LYS 39 - HE2 LYS 40 far 0 30 0 - 7.0-12.0 Violated in 0 structures by 0.00 A. Peak 3726 from cnoeabs.peaks (4.70, 2.85, 41.51 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: * HA LYS 82 + HE3 LYS 82 OK 100 100 100 100 4.3-4.8 3.0/3668=77, 3.0/3657=70...(21) HA LEU 55 - HE3 LYS 53 far 0 34 0 - 7.3-10.4 HA ARG 79 - HE3 LYS 53 far 0 52 0 - 7.3-11.0 HA LEU 55 - HE2 LYS 53 far 0 30 0 - 8.2-9.9 HA ARG 79 - HE2 LYS 53 far 0 46 0 - 8.4-10.4 Violated in 1 structures by 0.00 A. Peak 3727 from cnoeabs.peaks (1.34, 2.85, 41.51 ppm; 3.76 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.0-4.0 1.8/3668=66, 3657=59...(15) HG2 LYS 39 + HE2 LYS 39 OK 65 65 100 100 2.0-4.2 3.5=100 HG2 LYS 39 + HE3 LYS 39 OK 55 55 100 100 2.1-4.1 3.5=100 HB2 LEU 70 - HE2 LYS 39 far 2 48 5 - 4.9-9.0 HG3 LYS 40 - HE2 LYS 39 far 0 58 0 - 5.7-10.7 HG3 LYS 40 - HE3 LYS 39 far 0 48 0 - 5.7-10.3 HB2 LEU 70 - HE3 LYS 39 far 0 40 0 - 5.7-8.6 HB3 LEU 2 - HE3 LYS 53 far 0 52 0 - 6.9-11.7 HB3 LEU 2 - HE2 LYS 53 far 0 46 0 - 7.4-10.4 QB ALA 67 - HE3 LYS 39 far 0 54 0 - 7.7-10.4 QB ALA 67 - HE2 LYS 39 far 0 64 0 - 8.1-10.8 QB ALA 67 - HE3 LYS 82 far 0 100 0 - 8.3-11.0 QB ALA 89 - HE3 LYS 82 far 0 100 0 - 8.6-10.9 HG3 LYS 68 - HE3 LYS 82 far 0 100 0 - 9.0-14.4 HB3 LEU 27 - HE2 LYS 53 far 0 49 0 - 9.3-12.9 HB3 LEU 27 - HE3 LYS 53 far 0 55 0 - 9.4-12.9 QB ALA 25 - HE3 LYS 53 far 0 54 0 - 9.8-12.5 QB ALA 25 - HE2 LYS 53 far 0 48 0 - 10.0-13.1 Violated in 0 structures by 0.00 A. Peak 3728 from cnoeabs.peaks (1.76, 2.85, 41.51 ppm; 3.76 A): 3 out of 13 assignments used, quality = 1.00: * HB3 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.3-3.1 3668=79, 3717/1.8=65...(18) HB2 LYS 39 + HE2 LYS 39 OK 38 38 100 100 3.4-4.6 4.9=45, 1686/3.0=20...(63) HB2 LYS 39 + HE3 LYS 39 OK 31 31 100 100 1.9-4.6 4.9=45, 1686/3.0=20...(61) HD2 ARG 81 - HE3 LYS 82 far 0 59 0 - 6.0-8.9 HB3 GLU 63 - HE3 LYS 82 far 0 97 0 - 6.6-10.5 HB VAL 78 - HE3 LYS 53 far 0 48 0 - 7.4-10.2 HB VAL 78 - HE2 LYS 53 far 0 43 0 - 7.9-10.5 HB2 LYS 66 - HE2 LYS 39 far 0 65 0 - 8.0-13.1 HB2 LYS 66 - HE3 LYS 39 far 0 55 0 - 8.9-12.8 HG3 ARG 46 - HE2 LYS 39 far 0 52 0 - 9.0-13.6 HB ILE 56 - HE3 LYS 82 far 0 100 0 - 9.1-11.8 HG3 ARG 46 - HE3 LYS 39 far 0 43 0 - 9.1-13.4 HG3 ARG 46 - HE2 LYS 53 far 0 38 0 - 9.7-16.5 Violated in 0 structures by 0.00 A. Peak 3729 from cnoeabs.peaks (1.06, 2.85, 41.51 ppm; 4.68 A): 1 out of 9 assignments used, quality = 1.00: * HG2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.5-3.9 3.9=100 HG12 ILE 52 - HE2 LYS 53 poor 20 39 50 - 4.6-9.5 HG12 ILE 52 - HE3 LYS 53 poor 18 44 40 - 5.1-9.2 HB3 LEU 55 - HE3 LYS 53 far 0 30 0 - 6.9-10.9 HB3 LEU 55 - HE2 LYS 53 far 0 26 0 - 7.4-10.9 HG12 ILE 76 - HE3 LYS 39 far 0 40 0 - 8.4-11.4 HB3 ARG 81 - HE3 LYS 82 far 0 100 0 - 8.4-9.7 HG12 ILE 76 - HE2 LYS 39 far 0 48 0 - 9.2-12.2 HG12 ILE 76 - HE2 LYS 53 far 0 35 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 3730 from cnoeabs.peaks (1.14, 2.85, 41.51 ppm; 4.91 A): 1 out of 7 assignments used, quality = 1.00: * HG3 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.1-3.8 3.9=100 HG2 LYS 40 - HE3 LYS 39 poor 11 45 25 - 5.8-11.0 HG2 LYS 40 - HE2 LYS 39 poor 11 55 20 - 5.6-11.4 HB3 LEU 3 - HE3 LYS 53 poor 10 51 20 - 5.5-9.7 HB3 LEU 3 - HE2 LYS 53 poor 9 45 20 - 5.4-9.1 QG2 THR 34 - HE3 LYS 39 far 0 28 0 - 7.2-10.6 QG2 THR 34 - HE2 LYS 39 far 0 34 0 - 7.3-10.4 Violated in 0 structures by 0.00 A. Peak 3731 from cnoeabs.peaks (1.46, 2.85, 41.51 ppm; 3.20 A): 10 out of 31 assignments used, quality = 1.00: * HD2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.3-3.0 3.0=100 HG3 LYS 39 + HE2 LYS 39 OK 56 57 100 99 2.0-4.2 3.5=74, 1720/3.0=26...(72) HD2 LYS 53 + HE3 LYS 53 OK 55 55 100 100 2.2-3.0 3.0=100 HG2 LYS 53 + HE3 LYS 53 OK 54 54 100 99 1.9-4.1 3.9=54, 2433/3.0=32...(40) HG3 LYS 53 + HE3 LYS 53 OK 52 53 100 99 2.3-3.5 3.9=54, 2433/3.0=32...(40) HD2 LYS 53 + HE2 LYS 53 OK 49 49 100 100 2.2-3.0 3.0=100 HG2 LYS 53 + HE2 LYS 53 OK 48 48 100 99 2.4-3.4 3.9=54, 2433/3.0=32...(40) HG3 LYS 39 + HE3 LYS 39 OK 47 47 100 99 2.0-4.2 3.5=74, 1720/3.0=26...(69) HG3 LYS 53 + HE2 LYS 53 OK 46 47 100 99 2.0-4.0 3.9=54, 2433/3.0=32...(40) HB3 LEU 64 + HE3 LYS 82 OK 21 75 35 81 3.8-6.9 ~12331=16, 3.1/9479=14...(22) HG LEU 64 - HE3 LYS 82 far 9 91 10 - 4.6-8.5 HD3 LYS 40 - HE2 LYS 39 far 3 64 5 - 4.3-10.5 HB2 LEU 38 - HE3 LYS 39 far 3 54 5 - 4.5-9.8 HG2 LYS 73 - HE2 LYS 39 far 2 39 5 - 4.5-11.1 HD3 LYS 40 - HE3 LYS 39 far 0 54 0 - 4.7-10.0 HD2 LYS 40 - HE2 LYS 39 far 0 65 0 - 5.1-11.3 HD2 LYS 40 - HE3 LYS 39 far 0 54 0 - 5.2-10.5 HG13 ILE 52 - HE2 LYS 53 far 0 49 0 - 5.2-9.0 HB2 LEU 38 - HE2 LYS 39 far 0 65 0 - 5.5-9.5 HG13 ILE 52 - HE3 LYS 53 far 0 55 0 - 5.6-10.2 HG2 LYS 73 - HE3 LYS 39 far 0 32 0 - 6.1-10.6 HG LEU 38 - HE3 LYS 39 far 0 55 0 - 6.8-10.4 HG LEU 38 - HE2 LYS 39 far 0 65 0 - 7.5-10.6 HG3 LYS 66 - HE2 LYS 39 far 0 38 0 - 8.7-13.3 HG3 LYS 66 - HE3 LYS 39 far 0 31 0 - 9.1-13.5 HG2 LYS 66 - HE3 LYS 82 far 0 73 0 - 9.2-13.6 HG13 ILE 76 - HE2 LYS 53 far 0 38 0 - 9.3-13.2 HG13 ILE 76 - HE3 LYS 39 far 0 43 0 - 9.6-12.3 HG2 LYS 66 - HE2 LYS 39 far 0 41 0 - 9.6-14.2 HG13 ILE 76 - HE2 LYS 39 far 0 52 0 - 9.8-12.9 HG3 LYS 66 - HE3 LYS 82 far 0 70 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 3732 from cnoeabs.peaks (1.57, 2.85, 41.51 ppm; 3.71 A): 3 out of 20 assignments used, quality = 1.00: * HD3 LYS 82 + HE3 LYS 82 OK 100 100 100 100 2.6-3.0 3.0=100 HD3 LYS 53 + HE3 LYS 53 OK 50 50 100 100 2.2-3.0 3.0=100 HD3 LYS 53 + HE2 LYS 53 OK 44 44 100 100 2.3-3.0 3.0=100 HB2 LEU 103 - HE3 LYS 53 far 2 46 5 - 4.9-13.3 HG3 ARG 79 - HE3 LYS 53 far 2 34 5 - 5.2-11.7 HG2 ARG 79 - HE3 LYS 53 far 2 33 5 - 4.4-11.8 HB2 LEU 103 - HE2 LYS 53 far 0 41 0 - 5.3-13.8 HG3 LYS 73 - HE3 LYS 39 far 0 33 0 - 5.3-11.4 HB2 ARG 79 - HE3 LYS 53 far 0 31 0 - 5.5-10.2 HG3 LYS 73 - HE2 LYS 39 far 0 41 0 - 5.6-10.8 HG2 ARG 79 - HE2 LYS 53 far 0 29 0 - 5.8-11.0 HB2 LEU 3 - HE2 LYS 53 far 0 45 0 - 6.0-9.5 HB2 LEU 3 - HE3 LYS 53 far 0 51 0 - 6.5-9.3 HG3 ARG 79 - HE2 LYS 53 far 0 30 0 - 6.6-10.7 HB2 ARG 79 - HE2 LYS 53 far 0 27 0 - 6.6-9.7 HG LEU 103 - HE3 LYS 53 far 0 48 0 - 7.2-13.7 HG LEU 103 - HE2 LYS 53 far 0 43 0 - 7.4-13.4 HD2 LYS 66 - HE2 LYS 39 far 0 37 0 - 8.9-14.1 HD2 LYS 66 - HE3 LYS 39 far 0 30 0 - 9.1-13.6 HG12 ILE 56 - HE3 LYS 53 far 0 30 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 3733 from cnoeabs.peaks (2.74, 2.85, 41.51 ppm; 2.56 A): 1 out of 7 assignments used, quality = 1.00: * HE2 LYS 82 + HE3 LYS 82 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 61 - HE3 LYS 82 far 15 100 15 - 2.9-7.1 HB2 ASP 65 - HE3 LYS 82 far 0 87 0 - 5.6-10.5 HE2 LYS 40 - HE2 LYS 39 far 0 43 0 - 6.6-12.8 HE2 LYS 40 - HE3 LYS 39 far 0 35 0 - 7.0-12.0 HE3 LYS 40 - HE2 LYS 39 far 0 42 0 - 7.2-12.6 HE3 LYS 40 - HE3 LYS 39 far 0 34 0 - 7.6-11.9 Violated in 0 structures by 0.00 A. Peak 3734 from cnoeabs.peaks (2.85, 2.85, 41.51 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 82 + HE3 LYS 82 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 58 58 - 100 HE3 LYS 53 + HE3 LYS 53 OK 43 43 - 100 HE3 LYS 39 + HE3 LYS 39 OK 43 43 - 100 HE2 LYS 53 + HE2 LYS 53 OK 36 36 - 100 Peak 3736 from cnoeabs.peaks (9.11, 4.80, 59.41 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HA VAL 83 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3737 from cnoeabs.peaks (4.80, 4.80, 59.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 83 + HA VAL 83 OK 100 100 - 100 Peak 3738 from cnoeabs.peaks (2.11, 4.80, 59.41 ppm; 4.42 A): 3 out of 7 assignments used, quality = 1.00: * HB VAL 83 + HA VAL 83 OK 100 100 100 100 2.5-2.6 3.0=100 HG2 GLU 88 + HA VAL 83 OK 79 79 100 100 4.0-5.7 3.0/12223=61...(25) HB3 GLU 88 + HA VAL 83 OK 67 68 100 100 3.3-3.9 1.8/12222=74, 12223=62...(30) HB2 LEU 64 - HA VAL 83 far 0 100 0 - 7.6-9.5 HG3 GLU 104 - HA VAL 83 far 0 96 0 - 9.6-20.0 HB2 PRO 86 - HA VAL 83 far 0 100 0 - 9.7-10.3 HB3 PRO 86 - HA VAL 83 far 0 99 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 3739 from cnoeabs.peaks (0.96, 4.80, 59.41 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: * QG2 VAL 83 + HA VAL 83 OK 100 100 100 100 3.2-3.2 3.2=100 HB2 ARG 81 + HA VAL 83 OK 33 75 100 44 5.6-6.0 14661/14659=19...(4) QG2 THR 80 - HA VAL 83 far 0 95 0 - 8.4-9.8 HG LEU 55 - HA VAL 83 far 0 100 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 3740 from cnoeabs.peaks (1.01, 4.80, 59.41 ppm; 5.64 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 83 + HA VAL 83 OK 100 100 100 100 2.1-2.3 3.2=100 QG2 THR 80 - HA VAL 83 far 0 77 0 - 8.4-9.8 Violated in 0 structures by 0.00 A. Peak 3741 from cnoeabs.peaks (9.20, 4.80, 59.41 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + HA VAL 83 OK 100 100 100 100 2.2-2.6 3.6=100 H ILE 56 - HA VAL 83 far 0 98 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 3742 from cnoeabs.peaks (9.11, 2.11, 35.30 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + HB VAL 83 OK 100 100 100 100 3.7-3.9 4.0=100 Violated in 0 structures by 0.00 A. Peak 3743 from cnoeabs.peaks (4.80, 2.11, 35.30 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + HB VAL 83 OK 100 100 100 100 2.5-2.6 3.0=100 HA TRP 92 - HB VAL 83 far 0 90 0 - 8.5-9.0 HA ASN 60 - HB VAL 83 far 0 96 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 3744 from cnoeabs.peaks (2.11, 2.11, 35.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 83 + HB VAL 83 OK 100 100 - 100 Peak 3745 from cnoeabs.peaks (0.96, 2.11, 35.30 ppm; 3.02 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 83 + HB VAL 83 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 ARG 81 - HB VAL 83 far 0 75 0 - 5.9-6.8 HG LEU 55 - HB VAL 83 far 0 100 0 - 8.5-9.6 QG2 THR 80 - HB VAL 83 far 0 95 0 - 8.9-10.5 QG2 VAL 5 - HB VAL 83 far 0 95 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 3746 from cnoeabs.peaks (1.01, 2.11, 35.30 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * QG1 VAL 83 + HB VAL 83 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 THR 80 - HB VAL 83 far 0 77 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 3747 from cnoeabs.peaks (9.20, 2.11, 35.30 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + HB VAL 83 OK 100 100 100 100 1.9-3.1 7359/3.0=81, 4.4=78...(17) H ILE 56 - HB VAL 83 far 0 98 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 3748 from cnoeabs.peaks (9.11, 0.96, 21.21 ppm; 3.30 A): 1 out of 2 assignments used, quality = 1.00: * H VAL 83 + QG2 VAL 83 OK 100 100 100 100 2.0-2.4 7354=100, 7355/2.1=60...(20) H ARG 30 - QG2 VAL 83 far 0 94 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 3749 from cnoeabs.peaks (4.80, 0.96, 21.21 ppm; 3.78 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + QG2 VAL 83 OK 100 100 100 100 3.2-3.2 3.2=100 HA ASN 60 - QG2 VAL 83 far 0 96 0 - 6.7-7.3 HA TRP 92 - QG2 VAL 83 far 0 90 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 3750 from cnoeabs.peaks (2.11, 0.96, 21.21 ppm; 3.02 A): 2 out of 10 assignments used, quality = 1.00: * HB VAL 83 + QG2 VAL 83 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 GLU 88 + QG2 VAL 83 OK 67 68 100 99 3.0-3.5 ~9822=27, 1.8/9816=22...(43) HG2 GLU 88 - QG2 VAL 83 far 4 79 5 - 4.4-5.7 HB2 LEU 64 - QG2 VAL 83 far 0 100 0 - 6.3-8.0 HB2 PRO 86 - QG2 VAL 83 far 0 100 0 - 6.4-6.8 HB3 PRO 86 - QG2 VAL 83 far 0 99 0 - 6.8-7.2 QE MET 21 - QG2 VAL 83 far 0 97 0 - 8.3-9.1 HG3 GLU 104 - QG2 VAL 83 far 0 96 0 - 8.8-17.4 HG2 GLU 104 - QG2 VAL 83 far 0 68 0 - 9.1-16.2 HB2 GLU 16 - QG2 VAL 83 far 0 63 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 3751 from cnoeabs.peaks (0.96, 0.96, 21.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 83 + QG2 VAL 83 OK 100 100 - 100 Peak 3752 from cnoeabs.peaks (1.01, 0.96, 21.21 ppm; 2.56 A): 1 out of 3 assignments used, quality = 1.00: * QG1 VAL 83 + QG2 VAL 83 OK 100 100 100 100 2.0-2.1 2.1=100 QG2 THR 80 - QG2 VAL 83 far 0 77 0 - 5.9-7.4 HB3 LEU 55 - QG2 VAL 83 far 0 95 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 3753 from cnoeabs.peaks (9.20, 0.96, 21.21 ppm; 4.26 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + QG2 VAL 83 OK 100 100 100 100 3.3-4.0 4.0=100 H ILE 56 - QG2 VAL 83 far 0 98 0 - 6.7-7.6 Violated in 0 structures by 0.00 A. Peak 3754 from cnoeabs.peaks (9.11, 1.01, 23.61 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 83 + QG1 VAL 83 OK 100 100 100 100 3.0-3.3 7355=100, 7354/2.1=86...(17) Violated in 0 structures by 0.00 A. Peak 3755 from cnoeabs.peaks (4.80, 1.01, 23.61 ppm; 3.47 A): 1 out of 3 assignments used, quality = 1.00: * HA VAL 83 + QG1 VAL 83 OK 100 100 100 100 2.1-2.3 3.2=100 HA TRP 92 - QG1 VAL 83 far 0 90 0 - 5.6-6.2 HA ASN 60 - QG1 VAL 83 far 0 96 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 3756 from cnoeabs.peaks (2.11, 1.01, 23.61 ppm; 3.08 A): 3 out of 9 assignments used, quality = 1.00: * HB VAL 83 + QG1 VAL 83 OK 100 100 100 100 2.1-2.1 2.1=100 HG2 GLU 88 + QG1 VAL 83 OK 77 79 100 98 1.9-4.2 1.8/9814=33, 3.0/9813=20...(33) HB3 GLU 88 + QG1 VAL 83 OK 67 68 100 99 1.9-2.2 3.0/9814=28, ~9822=28...(43) HG3 GLU 104 - QG1 VAL 83 far 0 96 0 - 6.5-15.3 HG2 GLU 104 - QG1 VAL 83 far 0 68 0 - 7.1-14.3 HB2 LEU 64 - QG1 VAL 83 far 0 100 0 - 7.1-8.4 HB3 PRO 86 - QG1 VAL 83 far 0 99 0 - 7.3-7.8 HB2 PRO 86 - QG1 VAL 83 far 0 100 0 - 7.4-7.9 QE MET 21 - QG1 VAL 83 far 0 97 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 3757 from cnoeabs.peaks (0.96, 1.01, 23.61 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * QG2 VAL 83 + QG1 VAL 83 OK 100 100 100 100 2.0-2.1 2.1=100 HB2 ARG 81 - QG1 VAL 83 lone 10 75 100 13 2.8-3.7 9354/9809=6, 4.3/9791=3...(5) HG LEU 55 - QG1 VAL 83 far 0 100 0 - 5.3-6.5 QG2 THR 80 - QG1 VAL 83 far 0 95 0 - 6.1-7.7 QG2 VAL 5 - QG1 VAL 83 far 0 95 0 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 3758 from cnoeabs.peaks (1.01, 1.01, 23.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 83 + QG1 VAL 83 OK 100 100 - 100 Peak 3759 from cnoeabs.peaks (9.20, 1.01, 23.61 ppm; 4.40 A): 1 out of 2 assignments used, quality = 1.00: * H THR 84 + QG1 VAL 83 OK 100 100 100 100 3.3-3.8 4.0=100 H ILE 56 - QG1 VAL 83 far 0 98 0 - 6.6-7.4 Violated in 0 structures by 0.00 A. Peak 3760 from cnoeabs.peaks (9.20, 4.58, 60.96 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H THR 84 + HA THR 84 OK 100 100 100 100 2.9-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3761 from cnoeabs.peaks (4.58, 4.58, 60.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 84 + HA THR 84 OK 100 100 - 100 Peak 3762 from cnoeabs.peaks (4.44, 4.58, 60.96 ppm; 3.11 A): 1 out of 2 assignments used, quality = 1.00: * HB THR 84 + HA THR 84 OK 100 100 100 100 2.3-2.6 3.0=100 HA SER 9 - HA THR 84 far 0 99 0 - 6.2-8.2 Violated in 0 structures by 0.00 A. Peak 3763 from cnoeabs.peaks (1.24, 4.58, 60.96 ppm; 3.17 A): 1 out of 2 assignments used, quality = 1.00: * QG2 THR 84 + HA THR 84 OK 100 100 100 100 2.2-3.2 3.2=97, 2.1/3766=67...(6) QB ALA 18 - HA THR 84 far 0 96 0 - 8.8-9.8 Violated in 8 structures by 0.00 A. Peak 3764 from cnoeabs.peaks (7.69, 4.58, 60.96 ppm; 4.12 A): 1 out of 2 assignments used, quality = 1.00: * H SER 85 + HA THR 84 OK 100 100 100 100 3.0-3.5 3.6=100 H LEU 64 - HA THR 84 far 0 79 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 3765 from cnoeabs.peaks (9.20, 4.44, 70.10 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H THR 84 + HB THR 84 OK 100 100 100 100 3.0-3.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 3766 from cnoeabs.peaks (4.58, 4.44, 70.10 ppm; 3.01 A): 1 out of 2 assignments used, quality = 1.00: * HA THR 84 + HB THR 84 OK 100 100 100 100 2.3-2.6 3.0=99, 3763/2.1=57...(7) HA ASP 11 - HB THR 84 far 0 95 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 3767 from cnoeabs.peaks (4.44, 4.44, 70.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 84 + HB THR 84 OK 100 100 - 100 Peak 3768 from cnoeabs.peaks (1.24, 4.44, 70.10 ppm; 2.73 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 84 + HB THR 84 OK 100 100 100 100 2.1-2.1 2.1=100 Violated in 0 structures by 0.00 A. Peak 3769 from cnoeabs.peaks (7.69, 4.44, 70.10 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.98: * H SER 85 + HB THR 84 OK 98 100 100 98 4.1-4.5 4.7=74, 3.6/3766=72...(4) Violated in 14 structures by 0.08 A. Peak 3770 from cnoeabs.peaks (9.20, 1.24, 21.00 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H THR 84 + QG2 THR 84 OK 100 100 100 100 1.9-3.2 7365=100, 3.0/3763=71...(11) Violated in 0 structures by 0.00 A. Peak 3771 from cnoeabs.peaks (4.58, 1.24, 21.00 ppm; 3.27 A): 1 out of 3 assignments used, quality = 1.00: * HA THR 84 + QG2 THR 84 OK 100 100 100 100 2.2-3.2 3.2=100 HA HIS 105 - QG2 THR 84 far 0 97 0 - 8.5-20.2 HA ASP 11 - QG2 THR 84 far 0 95 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 3772 from cnoeabs.peaks (4.44, 1.24, 21.00 ppm; 2.92 A): 1 out of 3 assignments used, quality = 1.00: * HB THR 84 + QG2 THR 84 OK 100 100 100 100 2.1-2.1 2.1=100 HA SER 9 - QG2 THR 84 far 0 99 0 - 7.7-10.0 HA HIS 106 - QG2 THR 84 far 0 71 0 - 8.9-21.3 Violated in 0 structures by 0.00 A. Peak 3773 from cnoeabs.peaks (1.24, 1.24, 21.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 84 + QG2 THR 84 OK 100 100 - 100 Peak 3774 from cnoeabs.peaks (7.69, 1.24, 21.00 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H SER 85 + QG2 THR 84 OK 100 100 100 100 1.9-4.4 4.3=100 H LEU 64 - QG2 THR 84 far 0 79 0 - 7.7-10.6 Violated in 0 structures by 0.00 A. Peak 3775 from cnoeabs.peaks (7.69, 5.14, 55.20 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H SER 85 + HA SER 85 OK 100 100 100 100 2.8-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3776 from cnoeabs.peaks (5.14, 5.14, 55.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 85 + HA SER 85 OK 100 100 - 100 Peak 3777 from cnoeabs.peaks (3.90, 5.14, 55.20 ppm; 3.59 A): 1 out of 3 assignments used, quality = 1.00: * HB2 SER 85 + HA SER 85 OK 100 100 100 100 2.9-2.9 3.0=100 HB3 SER 9 - HA SER 85 far 0 88 0 - 7.1-8.2 HA ALA 89 - HA SER 85 far 0 100 0 - 8.0-8.3 Violated in 0 structures by 0.00 A. Peak 3778 from cnoeabs.peaks (4.19, 5.14, 55.20 ppm; 3.64 A): 1 out of 4 assignments used, quality = 1.00: * HB3 SER 85 + HA SER 85 OK 100 100 100 100 2.2-2.8 3.0=100 HB2 SER 59 - HA SER 85 far 0 73 0 - 7.0-8.7 HA ASP 87 - HA SER 85 far 0 71 0 - 7.1-7.3 HA LYS 13 - HA SER 85 far 0 65 0 - 8.6-9.6 Violated in 0 structures by 0.00 A. Peak 3779 from cnoeabs.peaks (7.69, 3.90, 64.38 ppm; 4.09 A): 1 out of 3 assignments used, quality = 1.00: * H SER 85 + HB2 SER 85 OK 100 100 100 100 2.3-3.6 4.0=100 H SER 85 - HB3 SER 9 far 0 72 0 - 6.5-8.3 H LEU 64 - HB3 SER 9 far 0 50 0 - 7.9-10.8 Violated in 0 structures by 0.00 A. Peak 3780 from cnoeabs.peaks (5.14, 3.90, 64.38 ppm; 3.25 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 85 + HB2 SER 85 OK 100 100 100 100 2.9-2.9 3.0=100 HA ILE 7 - HB3 SER 9 far 0 71 0 - 5.6-6.5 HA SER 85 - HB3 SER 9 far 0 72 0 - 7.1-8.2 Violated in 0 structures by 0.00 A. Peak 3781 from cnoeabs.peaks (3.90, 3.90, 64.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 85 + HB2 SER 85 OK 100 100 - 100 HB3 SER 9 + HB3 SER 9 OK 57 57 - 100 Peak 3782 from cnoeabs.peaks (4.19, 3.90, 64.38 ppm; 2.62 A): 1 out of 7 assignments used, quality = 1.00: * HB3 SER 85 + HB2 SER 85 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 SER 59 - HB3 SER 9 poor 9 45 70 27 2.0-5.5 ~12230=9, ~9405=7...(5) HA ASP 87 - HB2 SER 85 far 0 71 0 - 5.1-6.7 HA LYS 13 - HB3 SER 9 far 0 40 0 - 8.3-10.6 HB2 SER 59 - HB2 SER 85 far 0 73 0 - 8.5-10.8 HB3 SER 85 - HB3 SER 9 far 0 72 0 - 9.5-10.3 HA LYS 13 - HB2 SER 85 far 0 65 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 3783 from cnoeabs.peaks (7.69, 4.19, 64.38 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * H SER 85 + HB3 SER 85 OK 100 100 100 100 3.4-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 3784 from cnoeabs.peaks (5.14, 4.19, 64.38 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 85 + HB3 SER 85 OK 100 100 100 100 2.2-2.8 3.0=100 Violated in 0 structures by 0.00 A. Peak 3785 from cnoeabs.peaks (3.90, 4.19, 64.38 ppm; 2.62 A): 1 out of 4 assignments used, quality = 1.00: * HB2 SER 85 + HB3 SER 85 OK 100 100 100 100 1.8-1.8 1.8=100 HA ALA 89 - HB3 SER 85 far 0 100 0 - 7.6-9.1 HB3 SER 9 - HB3 SER 85 far 0 88 0 - 9.5-10.3 HA ARG 91 - HB3 SER 85 far 0 96 0 - 9.5-11.5 Violated in 0 structures by 0.00 A. Peak 3786 from cnoeabs.peaks (4.19, 4.19, 64.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 85 + HB3 SER 85 OK 100 100 - 100 Peak 3787 from cnoeabs.peaks (5.14, 3.98, 50.67 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.99: HA SER 85 + HD3 PRO 86 OK 92 100 100 92 2.4-2.5 3.8=54, 3788/1.8=33...(19) * HA SER 85 + HD2 PRO 86 OK 91 100 100 91 2.6-2.8 3.8=54, 3790/1.8=33...(18) Violated in 0 structures by 0.00 A. Peak 3788 from cnoeabs.peaks (3.98, 5.14, 55.20 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.99: HD3 PRO 86 + HA SER 85 OK 93 100 100 93 2.4-2.5 3.8=57, 1.8/3787=35...(19) * HD2 PRO 86 + HA SER 85 OK 92 100 100 92 2.6-2.8 3.8=57, 1.8/3789=35...(18) Violated in 0 structures by 0.00 A. Peak 3789 from cnoeabs.peaks (5.14, 3.98, 50.67 ppm; 3.07 A): 2 out of 2 assignments used, quality = 0.99: * HA SER 85 + HD3 PRO 86 OK 92 100 100 92 2.4-2.5 3.8=54, 3788/1.8=33...(19) HA SER 85 + HD2 PRO 86 OK 91 100 100 91 2.6-2.8 3.8=54, 3790/1.8=33...(18) Violated in 0 structures by 0.00 A. Peak 3790 from cnoeabs.peaks (3.98, 5.14, 55.20 ppm; 3.12 A): 2 out of 2 assignments used, quality = 0.99: * HD3 PRO 86 + HA SER 85 OK 93 100 100 93 2.4-2.5 3.8=57, 1.8/3787=35...(19) HD2 PRO 86 + HA SER 85 OK 92 100 100 92 2.6-2.8 3.8=57, 1.8/3789=35...(18) Violated in 0 structures by 0.00 A. Peak 3791 from cnoeabs.peaks (4.09, 3.98, 50.67 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: HA PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.6-3.6 3.6=100 * HA PRO 86 + HD2 PRO 86 OK 100 100 100 100 4.1-4.1 3.6=100 HA GLU 17 - HD3 PRO 86 far 0 63 0 - 8.1-9.8 HA GLU 17 - HD2 PRO 86 far 0 63 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 3792 from cnoeabs.peaks (2.12, 3.98, 50.67 ppm; 3.74 A): 4 out of 8 assignments used, quality = 1.00: HB2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 * HB2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 96 96 100 100 4.0-4.0 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 90 0 - 5.4-8.4 HB VAL 83 - HD2 PRO 86 far 0 100 0 - 6.4-6.8 HB VAL 83 - HD3 PRO 86 far 0 100 0 - 6.6-7.1 HG2 GLU 88 - HD3 PRO 86 far 0 89 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 3793 from cnoeabs.peaks (2.10, 3.98, 50.67 ppm; 3.79 A): 4 out of 12 assignments used, quality = 1.00: * HB3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.0 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 63 0 - 5.4-8.4 HB3 GLU 88 - HD2 PRO 86 far 0 82 0 - 6.0-6.5 HB VAL 83 - HD2 PRO 86 far 0 99 0 - 6.4-6.8 HB VAL 83 - HD3 PRO 86 far 0 99 0 - 6.6-7.1 HG2 GLU 88 - HD3 PRO 86 far 0 63 0 - 6.7-9.3 HB3 GLU 88 - HD3 PRO 86 far 0 82 0 - 6.7-7.2 HB2 GLU 16 - HD3 PRO 86 far 0 79 0 - 8.7-11.0 HB2 GLU 16 - HD2 PRO 86 far 0 79 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3794 from cnoeabs.peaks (1.69, 3.98, 50.67 ppm; 3.63 A): 6 out of 14 assignments used, quality = 1.00: HG2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 * HG2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HD2 LYS 13 + HD3 PRO 86 OK 64 99 90 72 2.7-7.2 ~10957=12, 3842/2.3=10...(23) HD3 LYS 13 + HD3 PRO 86 OK 60 99 85 72 2.8-6.5 ~10957=12, 3810/3.6=9...(25) HD2 LYS 13 + HD2 PRO 86 OK 56 99 85 67 4.3-8.8 ~10957=12, 3842/2.3=10...(21) HD3 LYS 13 + HD2 PRO 86 OK 53 99 80 67 4.3-8.2 ~10957=12, 3810/3.6=9...(23) HD3 LYS 90 - HD2 PRO 86 far 0 100 0 - 5.4-7.9 HD3 LYS 90 - HD3 PRO 86 far 0 100 0 - 5.9-8.5 HB3 ARG 91 - HD2 PRO 86 far 0 99 0 - 8.3-10.1 HG12 ILE 15 - HD3 PRO 86 far 0 100 0 - 8.5-9.1 HB ILE 15 - HD3 PRO 86 far 0 63 0 - 9.0-9.5 HB3 ARG 91 - HD3 PRO 86 far 0 99 0 - 9.5-11.3 HD2 LYS 20 - HD3 PRO 86 far 0 96 0 - 9.7-12.7 HG12 ILE 15 - HD2 PRO 86 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 3795 from cnoeabs.peaks (2.19, 3.98, 50.67 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLU 16 - HD3 PRO 86 far 0 77 0 - 7.9-11.5 HB3 GLU 16 - HD2 PRO 86 far 0 77 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 3796 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 Peak 3797 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 Reference assignment not found: HD3 PRO 86 - HD2 PRO 86 Peak 3798 from cnoeabs.peaks (8.13, 3.98, 50.67 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: * H ASP 87 + HD2 PRO 86 OK 100 100 100 100 2.7-2.8 7380/2.3=70, 7381=50...(17) H ASP 87 + HD3 PRO 86 OK 100 100 100 100 3.8-3.9 7380/2.3=70, 7381=50...(18) H TRP 92 - HD2 PRO 86 far 0 100 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 3799 from cnoeabs.peaks (4.09, 3.98, 50.67 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.6-3.6 3.6=100 HA PRO 86 + HD2 PRO 86 OK 100 100 100 100 4.1-4.1 3.6=100 HA GLU 17 - HD3 PRO 86 far 0 63 0 - 8.1-9.8 HA GLU 17 - HD2 PRO 86 far 0 63 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 3800 from cnoeabs.peaks (2.12, 3.98, 50.67 ppm; 3.74 A): 4 out of 8 assignments used, quality = 1.00: * HB2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 96 96 100 100 4.0-4.0 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 89 0 - 5.4-8.4 HB VAL 83 - HD2 PRO 86 far 0 100 0 - 6.4-6.8 HB VAL 83 - HD3 PRO 86 far 0 100 0 - 6.6-7.1 HG2 GLU 88 - HD3 PRO 86 far 0 90 0 - 6.7-9.3 Violated in 0 structures by 0.00 A. Peak 3801 from cnoeabs.peaks (2.10, 3.98, 50.67 ppm; 3.79 A): 4 out of 12 assignments used, quality = 1.00: * HB3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HB3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HB2 PRO 86 + HD3 PRO 86 OK 96 96 100 100 3.0-3.0 3.0=100 HB2 PRO 86 + HD2 PRO 86 OK 96 96 100 100 3.9-3.9 3.0=100 HG2 GLU 88 - HD2 PRO 86 far 0 63 0 - 5.4-8.4 HB3 GLU 88 - HD2 PRO 86 far 0 82 0 - 6.0-6.5 HB VAL 83 - HD2 PRO 86 far 0 99 0 - 6.4-6.8 HB VAL 83 - HD3 PRO 86 far 0 99 0 - 6.6-7.1 HG2 GLU 88 - HD3 PRO 86 far 0 63 0 - 6.7-9.3 HB3 GLU 88 - HD3 PRO 86 far 0 82 0 - 6.7-7.2 HB2 GLU 16 - HD3 PRO 86 far 0 79 0 - 8.7-11.0 HB2 GLU 16 - HD2 PRO 86 far 0 79 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 3802 from cnoeabs.peaks (1.69, 3.98, 50.67 ppm; 3.63 A): 6 out of 14 assignments used, quality = 1.00: * HG2 PRO 86 + HD3 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 86 + HD2 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HD2 LYS 13 + HD3 PRO 86 OK 64 99 90 72 2.7-7.2 ~10957=12, 3842/2.3=10...(23) HD3 LYS 13 + HD3 PRO 86 OK 60 99 85 72 2.8-6.5 ~10957=12, 3810/3.6=9...(25) HD2 LYS 13 + HD2 PRO 86 OK 56 99 85 67 4.3-8.8 ~10957=12, 3842/2.3=10...(21) HD3 LYS 13 + HD2 PRO 86 OK 53 99 80 67 4.3-8.2 ~10957=12, 3810/3.6=9...(23) HD3 LYS 90 - HD2 PRO 86 far 0 100 0 - 5.4-7.9 HD3 LYS 90 - HD3 PRO 86 far 0 100 0 - 5.9-8.5 HB3 ARG 91 - HD2 PRO 86 far 0 99 0 - 8.3-10.1 HG12 ILE 15 - HD3 PRO 86 far 0 100 0 - 8.5-9.1 HB ILE 15 - HD3 PRO 86 far 0 63 0 - 9.0-9.5 HB3 ARG 91 - HD3 PRO 86 far 0 99 0 - 9.5-11.3 HD2 LYS 20 - HD3 PRO 86 far 0 96 0 - 9.7-12.7 HG12 ILE 15 - HD2 PRO 86 far 0 100 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 3803 from cnoeabs.peaks (2.19, 3.98, 50.67 ppm; 3.44 A): 2 out of 4 assignments used, quality = 1.00: HG3 PRO 86 + HD2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 * HG3 PRO 86 + HD3 PRO 86 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 GLU 16 - HD3 PRO 86 far 0 77 0 - 7.9-11.5 HB3 GLU 16 - HD2 PRO 86 far 0 77 0 - 9.2-12.6 Violated in 0 structures by 0.00 A. Peak 3804 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 Reference assignment not found: HD2 PRO 86 - HD3 PRO 86 Peak 3805 from cnoeabs.peaks (3.98, 3.98, 50.67 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 86 + HD3 PRO 86 OK 100 100 - 100 HD2 PRO 86 + HD2 PRO 86 OK 100 100 - 100 Peak 3806 from cnoeabs.peaks (8.13, 3.98, 50.67 ppm; 4.25 A): 2 out of 3 assignments used, quality = 1.00: H ASP 87 + HD2 PRO 86 OK 100 100 100 100 2.7-2.8 7380/2.3=70, 7382=50...(17) * H ASP 87 + HD3 PRO 86 OK 100 100 100 100 3.8-3.9 7380/2.3=70, 7382=50...(18) H TRP 92 - HD2 PRO 86 far 0 100 0 - 9.4-9.6 Violated in 0 structures by 0.00 A. Peak 3807 from cnoeabs.peaks (4.09, 4.09, 65.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PRO 86 + HA PRO 86 OK 100 100 - 100 Peak 3808 from cnoeabs.peaks (2.12, 4.09, 65.04 ppm; 3.28 A): 2 out of 5 assignments used, quality = 1.00: * HB2 PRO 86 + HA PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 86 + HA PRO 86 OK 96 96 100 100 2.7-2.7 2.3=100 HB VAL 83 - HA PRO 86 far 0 100 0 - 5.2-5.8 HG2 GLU 88 - HA PRO 86 far 0 90 0 - 6.2-8.0 QE MET 21 - HA PRO 86 far 0 91 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 3809 from cnoeabs.peaks (2.10, 4.09, 65.04 ppm; 3.37 A): 2 out of 7 assignments used, quality = 1.00: * HB3 PRO 86 + HA PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 86 + HA PRO 86 OK 96 96 100 100 2.3-2.3 2.3=100 HB VAL 83 - HA PRO 86 far 0 99 0 - 5.2-5.8 HB3 GLU 88 - HA PRO 86 far 0 82 0 - 5.2-5.7 HG2 GLU 88 - HA PRO 86 far 0 63 0 - 6.2-8.0 HB2 GLU 16 - HA PRO 86 far 0 79 0 - 7.4-9.5 QE MET 21 - HA PRO 86 far 0 100 0 - 8.3-9.4 Violated in 0 structures by 0.00 A. Peak 3810 from cnoeabs.peaks (1.69, 4.09, 65.04 ppm; 4.29 A): 4 out of 11 assignments used, quality = 1.00: * HG2 PRO 86 + HA PRO 86 OK 100 100 100 100 4.0-4.0 3.8=100 HD2 LYS 13 + HA PRO 86 OK 76 99 85 90 3.8-8.7 ~10957=20, 1118=20...(24) HD3 LYS 13 + HA PRO 86 OK 76 99 85 90 3.8-8.7 ~10957=20, 1107=18...(26) HD3 LYS 90 + HA PRO 86 OK 67 100 75 89 3.8-6.6 7422/9950=42...(18) HG12 ILE 15 - HA PRO 86 far 0 100 0 - 6.5-7.0 HB ILE 15 - HA PRO 86 far 0 63 0 - 7.4-8.1 HB3 ARG 91 - HA PRO 86 far 0 99 0 - 7.5-9.3 HD2 LYS 20 - HA PRO 86 far 0 96 0 - 8.0-10.9 HD3 LYS 20 - HA PRO 86 far 0 94 0 - 8.2-11.4 HG3 LYS 20 - HA PRO 86 far 0 94 0 - 8.5-11.7 HD2 LYS 12 - HA PRO 86 far 0 99 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 3811 from cnoeabs.peaks (2.19, 4.09, 65.04 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: * HG3 PRO 86 + HA PRO 86 OK 100 100 100 100 3.9-3.9 3.8=100 HB3 GLU 16 - HA PRO 86 far 0 77 0 - 6.8-9.7 Violated in 0 structures by 0.00 A. Peak 3812 from cnoeabs.peaks (3.98, 4.09, 65.04 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 86 + HA PRO 86 OK 100 100 100 100 3.6-3.6 3.6=100 * HD2 PRO 86 + HA PRO 86 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 3813 from cnoeabs.peaks (3.98, 4.09, 65.04 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: * HD3 PRO 86 + HA PRO 86 OK 100 100 100 100 3.6-3.6 3.6=100 HD2 PRO 86 + HA PRO 86 OK 100 100 100 100 4.1-4.1 3.6=100 Violated in 0 structures by 0.00 A. Peak 3814 from cnoeabs.peaks (8.13, 4.09, 65.04 ppm; 5.09 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 87 + HA PRO 86 OK 100 100 100 100 3.6-3.6 3.5=100 H TRP 92 - HA PRO 86 far 0 100 0 - 7.3-7.6 Violated in 0 structures by 0.00 A. Peak 3815 from cnoeabs.peaks (4.09, 2.12, 31.71 ppm; 3.52 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HB2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HA PRO 86 + HB3 PRO 86 OK 92 92 100 100 2.7-2.7 2.3=100 HA GLU 17 - HB3 PRO 86 far 3 53 5 - 4.7-6.6 HA GLU 17 - HB2 PRO 86 far 0 63 0 - 5.2-6.9 Violated in 0 structures by 0.00 A. Peak 3816 from cnoeabs.peaks (2.12, 2.12, 31.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PRO 86 + HB2 PRO 86 OK 100 100 - 100 HB3 PRO 86 + HB3 PRO 86 OK 85 85 - 100 Peak 3817 from cnoeabs.peaks (2.10, 2.12, 31.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 PRO 86 + HB2 PRO 86 OK 96 96 - 100 HB3 PRO 86 + HB3 PRO 86 OK 92 92 - 100 Reference assignment not found: HB3 PRO 86 - HB2 PRO 86 Peak 3818 from cnoeabs.peaks (1.69, 2.12, 31.71 ppm; 3.78 A): 8 out of 24 assignments used, quality = 1.00: * HG2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HG2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 2.7-2.7 2.3=100 HD3 LYS 90 + HB3 PRO 86 OK 71 91 90 86 2.5-5.4 4043/3.9=19, 3842/2.3=16...(28) HD2 LYS 13 + HB2 PRO 86 OK 70 99 85 83 2.3-7.0 3.0/10957=23...(28) HD3 LYS 13 + HB2 PRO 86 OK 70 99 85 83 2.1-7.3 3.0/10957=23...(30) HD3 LYS 90 + HB2 PRO 86 OK 60 100 70 85 4.1-7.1 4043/3.9=19, 3842/2.3=16...(24) HD2 LYS 13 + HB3 PRO 86 OK 44 90 60 81 4.0-8.5 ~10957=17, 1118/2.3=14...(29) HD3 LYS 13 + HB3 PRO 86 OK 32 89 45 81 3.8-8.8 ~10957=17, 3810/2.3=13...(30) HD2 LYS 20 - HB3 PRO 86 far 0 85 0 - 6.1-9.6 HD3 LYS 20 - HB3 PRO 86 far 0 82 0 - 6.8-10.1 HD2 LYS 20 - HB2 PRO 86 far 0 96 0 - 6.9-9.8 HG12 ILE 15 - HB2 PRO 86 far 0 100 0 - 7.2-7.7 HD3 LYS 20 - HB2 PRO 86 far 0 94 0 - 7.2-10.4 HG3 LYS 20 - HB3 PRO 86 far 0 82 0 - 7.3-10.6 HB ILE 15 - HB2 PRO 86 far 0 63 0 - 7.3-8.1 HB3 ARG 91 - HB3 PRO 86 far 0 89 0 - 7.6-9.1 HG3 LYS 20 - HB2 PRO 86 far 0 94 0 - 8.0-11.0 HG12 ILE 15 - HB3 PRO 86 far 0 92 0 - 8.3-9.0 HB ILE 15 - HB3 PRO 86 far 0 53 0 - 8.5-9.4 HD2 LYS 12 - HB2 PRO 86 far 0 99 0 - 8.7-11.4 HD3 LYS 12 - HB2 PRO 86 far 0 99 0 - 8.9-12.5 HB3 ARG 91 - HB2 PRO 86 far 0 99 0 - 8.9-10.6 HD2 LYS 12 - HB3 PRO 86 far 0 90 0 - 9.9-12.9 HD3 LYS 12 - HB3 PRO 86 far 0 90 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 3819 from cnoeabs.peaks (2.19, 2.12, 31.71 ppm; 3.36 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.0-3.0 2.3=100 HG3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 2.3-2.3 2.3=100 HB3 GLU 16 - HB2 PRO 86 far 0 77 0 - 5.5-8.8 HB3 GLU 16 - HB3 PRO 86 far 0 65 0 - 6.2-9.3 Violated in 0 structures by 0.00 A. Peak 3820 from cnoeabs.peaks (3.98, 2.12, 31.71 ppm; 3.98 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 * HD2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 4.0-4.0 3.0=100 HD3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3821 from cnoeabs.peaks (3.98, 2.12, 31.71 ppm; 3.98 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HD3 PRO 86 + HB3 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 92 92 100 100 4.0-4.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3822 from cnoeabs.peaks (8.13, 2.12, 31.71 ppm; 4.41 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 87 + HB2 PRO 86 OK 100 100 100 100 3.9-4.0 3.9=100 H ASP 87 + HB3 PRO 86 OK 92 92 100 100 2.9-3.1 3.9=100 H TRP 92 - HB3 PRO 86 far 0 91 0 - 7.9-8.3 H TRP 92 - HB2 PRO 86 far 0 100 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 3823 from cnoeabs.peaks (4.09, 2.10, 31.71 ppm; 3.49 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HB3 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HA PRO 86 + HB2 PRO 86 OK 92 92 100 100 2.3-2.3 2.3=100 HA GLU 17 - HB3 PRO 86 far 3 63 5 - 4.7-6.6 HA GLU 17 - HB2 PRO 86 far 0 53 0 - 5.2-6.9 Violated in 0 structures by 0.00 A. Peak 3824 from cnoeabs.peaks (2.12, 2.10, 31.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 PRO 86 + HB3 PRO 86 OK 96 96 - 100 HB2 PRO 86 + HB2 PRO 86 OK 92 92 - 100 Reference assignment not found: HB2 PRO 86 - HB3 PRO 86 Peak 3825 from cnoeabs.peaks (2.10, 2.10, 31.71 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PRO 86 + HB3 PRO 86 OK 100 100 - 100 HB2 PRO 86 + HB2 PRO 86 OK 85 85 - 100 Peak 3826 from cnoeabs.peaks (1.69, 2.10, 31.71 ppm; 3.79 A): 8 out of 24 assignments used, quality = 1.00: * HG2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HG2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 2.3-2.3 2.3=100 HD3 LYS 90 + HB3 PRO 86 OK 80 100 90 89 2.5-5.4 4043/3.9=19, 3842/2.3=16...(28) HD2 LYS 13 + HB2 PRO 86 OK 63 90 85 82 2.3-7.0 3.0/10957=19...(28) HD3 LYS 13 + HB2 PRO 86 OK 62 89 85 82 2.1-7.3 3.0/10957=19...(29) HD3 LYS 90 + HB2 PRO 86 OK 55 91 70 86 4.1-7.1 4043/3.9=19, 3842/2.3=16...(25) HD2 LYS 13 + HB3 PRO 86 OK 49 99 60 81 4.0-8.5 ~10957=17, 1118/2.3=14...(29) HD3 LYS 13 + HB3 PRO 86 OK 36 99 45 81 3.8-8.8 ~10957=17, 3810/2.3=13...(29) HD2 LYS 20 - HB3 PRO 86 far 0 96 0 - 6.1-9.6 HD3 LYS 20 - HB3 PRO 86 far 0 94 0 - 6.8-10.1 HD2 LYS 20 - HB2 PRO 86 far 0 85 0 - 6.9-9.8 HG12 ILE 15 - HB2 PRO 86 far 0 92 0 - 7.2-7.7 HD3 LYS 20 - HB2 PRO 86 far 0 82 0 - 7.2-10.4 HG3 LYS 20 - HB3 PRO 86 far 0 94 0 - 7.3-10.6 HB ILE 15 - HB2 PRO 86 far 0 53 0 - 7.3-8.1 HB3 ARG 91 - HB3 PRO 86 far 0 99 0 - 7.6-9.1 HG3 LYS 20 - HB2 PRO 86 far 0 82 0 - 8.0-11.0 HG12 ILE 15 - HB3 PRO 86 far 0 100 0 - 8.3-9.0 HB ILE 15 - HB3 PRO 86 far 0 63 0 - 8.5-9.4 HD2 LYS 12 - HB2 PRO 86 far 0 90 0 - 8.7-11.4 HD3 LYS 12 - HB2 PRO 86 far 0 90 0 - 8.9-12.5 HB3 ARG 91 - HB2 PRO 86 far 0 89 0 - 8.9-10.6 HD2 LYS 12 - HB3 PRO 86 far 0 99 0 - 9.9-12.9 HD3 LYS 12 - HB3 PRO 86 far 0 99 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 3827 from cnoeabs.peaks (2.19, 2.10, 31.71 ppm; 3.31 A): 2 out of 4 assignments used, quality = 1.00: * HG3 PRO 86 + HB3 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HG3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.0-3.0 2.3=100 HB3 GLU 16 - HB2 PRO 86 far 0 65 0 - 5.5-8.8 HB3 GLU 16 - HB3 PRO 86 far 0 77 0 - 6.2-9.3 Violated in 0 structures by 0.00 A. Peak 3828 from cnoeabs.peaks (3.98, 2.10, 31.71 ppm; 4.05 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 86 + HB3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 * HD2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 HD3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3829 from cnoeabs.peaks (3.98, 2.10, 31.71 ppm; 4.05 A): 4 out of 4 assignments used, quality = 1.00: * HD3 PRO 86 + HB3 PRO 86 OK 100 100 100 100 3.9-3.9 3.0=100 HD2 PRO 86 + HB3 PRO 86 OK 100 100 100 100 4.0-4.0 3.0=100 HD3 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.0-3.0 3.0=100 HD2 PRO 86 + HB2 PRO 86 OK 92 92 100 100 3.9-3.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 3830 from cnoeabs.peaks (8.13, 2.10, 31.71 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * H ASP 87 + HB3 PRO 86 OK 100 100 100 100 2.9-3.1 3.9=100 H ASP 87 + HB2 PRO 86 OK 92 92 100 100 3.9-4.0 3.9=100 H TRP 92 - HB3 PRO 86 far 0 100 0 - 7.9-8.3 H TRP 92 - HB2 PRO 86 far 0 91 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 3831 from cnoeabs.peaks (4.09, 1.69, 27.30 ppm; 4.42 A): 2 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HG2 PRO 86 OK 100 100 100 100 4.0-4.0 3.8=100 HA LYS 66 + HG LEU 70 OK 67 71 100 94 3.3-4.5 7139/4.9=38, 3.0/2892=29...(19) HA GLU 17 - HG2 PRO 86 far 0 63 0 - 6.5-8.5 HA GLU 62 - HG LEU 70 far 0 49 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 3832 from cnoeabs.peaks (2.12, 1.69, 27.30 ppm; 3.78 A): 6 out of 12 assignments used, quality = 1.00: * HB2 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HB3 PRO 86 + HG2 PRO 86 OK 96 96 100 100 2.7-2.7 2.3=100 HB2 GLU 69 + HG LEU 70 OK 66 74 95 94 3.5-5.5 10802=54, 4.6/7152=21...(22) HB3 GLU 69 + HG LEU 70 OK 47 74 70 92 3.8-5.4 1.8/10802=44...(20) HG2 GLU 69 + HG LEU 70 OK 37 74 60 83 4.8-6.8 3.0/10802=33...(15) HB3 GLU 35 + HG LEU 70 OK 25 38 80 84 3.3-5.8 ~9549=15, 2.9/3835=14...(21) HG2 GLU 88 - HG2 PRO 86 far 0 90 0 - 7.6-10.4 HB VAL 83 - HG2 PRO 86 far 0 100 0 - 8.2-8.7 HB3 GLU 37 - HG LEU 70 far 0 74 0 - 8.4-10.9 HG3 GLU 37 - HG LEU 70 far 0 72 0 - 8.4-10.1 QE MET 21 - HG2 PRO 86 far 0 91 0 - 9.9-11.2 HB2 LEU 64 - HG LEU 70 far 0 74 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3833 from cnoeabs.peaks (2.10, 1.69, 27.30 ppm; 3.85 A): 6 out of 15 assignments used, quality = 1.00: * HB3 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HB2 PRO 86 + HG2 PRO 86 OK 96 96 100 100 2.3-2.3 2.3=100 HB2 GLU 69 + HG LEU 70 OK 54 61 95 93 3.5-5.5 10802=46, 4.6/7152=22...(22) HB3 GLU 69 + HG LEU 70 OK 51 61 90 92 3.8-5.4 1.8/10802=45...(20) HB3 GLU 35 + HG LEU 70 OK 44 59 85 88 3.3-5.8 12058=21, ~9549=15...(24) HG2 GLU 69 + HG LEU 70 OK 35 61 70 82 4.8-6.8 3.0/10802=34...(14) HB3 LEU 38 - HG LEU 70 poor 20 48 55 74 3.3-6.2 3.1/12070=20...(28) HG2 GLU 88 - HG2 PRO 86 far 0 63 0 - 7.6-10.4 HB2 GLU 16 - HG2 PRO 86 far 0 79 0 - 7.7-10.0 HB3 GLU 88 - HG2 PRO 86 far 0 82 0 - 7.9-8.4 HB VAL 83 - HG2 PRO 86 far 0 99 0 - 8.2-8.7 HB3 GLU 37 - HG LEU 70 far 0 62 0 - 8.4-10.9 HG3 GLU 37 - HG LEU 70 far 0 74 0 - 8.4-10.1 QE MET 21 - HG2 PRO 86 far 0 100 0 - 9.9-11.2 HB2 LEU 64 - HG LEU 70 far 0 73 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 3834 from cnoeabs.peaks (1.69, 1.69, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 PRO 86 + HG2 PRO 86 OK 100 100 - 100 HG LEU 70 + HG LEU 70 OK 74 74 - 100 Peak 3835 from cnoeabs.peaks (2.19, 1.69, 27.30 ppm; 3.34 A): 2 out of 7 assignments used, quality = 1.00: * HG3 PRO 86 + HG2 PRO 86 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 35 + HG LEU 70 OK 28 75 50 74 2.9-5.8 10526/2.1=15...(19) HG2 GLU 35 - HG LEU 70 poor 19 75 25 - 2.9-6.7 HB3 GLU 16 - HG2 PRO 86 far 0 77 0 - 6.8-10.4 HB2 GLU 63 - HG LEU 70 far 0 75 0 - 8.0-9.7 HB2 GLN 72 - HG LEU 70 far 0 48 0 - 8.7-9.4 HG2 GLU 43 - HG LEU 70 far 0 74 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 3836 from cnoeabs.peaks (3.98, 1.69, 27.30 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: HD3 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 * HD2 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HA GLU 69 - HG LEU 70 far 10 66 15 - 5.3-6.1 Violated in 0 structures by 0.00 A. Peak 3837 from cnoeabs.peaks (3.98, 1.69, 27.30 ppm; 3.88 A): 2 out of 3 assignments used, quality = 1.00: * HD3 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HD2 PRO 86 + HG2 PRO 86 OK 100 100 100 100 2.7-2.7 2.3=100 HA GLU 69 - HG LEU 70 far 10 65 15 - 5.3-6.1 Violated in 0 structures by 0.00 A. Peak 3838 from cnoeabs.peaks (8.13, 1.69, 27.30 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 87 + HG2 PRO 86 OK 100 100 100 100 3.5-3.7 7380/1.8=100...(15) Violated in 0 structures by 0.00 A. Peak 3839 from cnoeabs.peaks (4.09, 2.19, 27.30 ppm; 4.62 A): 1 out of 4 assignments used, quality = 1.00: * HA PRO 86 + HG3 PRO 86 OK 100 100 100 100 3.9-3.9 3.8=100 HB2 SER 49 - HB3 GLU 75 far 3 62 5 - 5.7-12.8 HA ARG 46 - HB3 GLU 75 far 0 85 0 - 6.3-9.3 HA GLU 17 - HG3 PRO 86 far 0 63 0 - 6.8-8.8 Violated in 0 structures by 0.00 A. Peak 3840 from cnoeabs.peaks (2.12, 2.19, 27.30 ppm; 2.66 A): 3 out of 6 assignments used, quality = 1.00: * HB2 PRO 86 + HG3 PRO 86 OK 100 100 100 100 3.0-3.0 2.3=100 HB3 PRO 86 + HG3 PRO 86 OK 96 96 100 100 2.3-2.3 2.3=100 HB2 GLU 75 + HB3 GLU 75 OK 85 85 100 100 1.8-1.8 1.8=100 HG2 GLU 88 - HG3 PRO 86 far 0 90 0 - 6.2-9.1 HB VAL 83 - HG3 PRO 86 far 0 100 0 - 7.6-8.0 QE MET 21 - HG3 PRO 86 far 0 91 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 3841 from cnoeabs.peaks (2.10, 2.19, 27.30 ppm; 3.01 A): 3 out of 8 assignments used, quality = 1.00: * HB3 PRO 86 + HG3 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HB2 PRO 86 + HG3 PRO 86 OK 96 96 100 100 3.0-3.0 2.3=100 HB2 GLU 75 + HB3 GLU 75 OK 64 64 100 100 1.8-1.8 1.8=100 HG2 GLU 88 - HG3 PRO 86 far 0 63 0 - 6.2-9.1 HB3 GLU 88 - HG3 PRO 86 far 0 82 0 - 6.9-7.4 HB VAL 83 - HG3 PRO 86 far 0 99 0 - 7.6-8.0 HB2 GLU 16 - HG3 PRO 86 far 0 79 0 - 8.6-10.9 QE MET 21 - HG3 PRO 86 far 0 100 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 3842 from cnoeabs.peaks (1.69, 2.19, 27.30 ppm; 3.34 A): 4 out of 8 assignments used, quality = 1.00: * HG2 PRO 86 + HG3 PRO 86 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 90 + HG3 PRO 86 OK 39 100 70 55 3.7-6.0 4043/7380=13...(17) HD2 LYS 13 + HG3 PRO 86 OK 26 99 40 65 4.4-8.9 ~10957=11, 3802/2.3=8...(22) HD3 LYS 13 + HG3 PRO 86 OK 23 99 35 65 4.2-8.6 ~10957=11, 3802/2.3=8...(24) HB3 ARG 91 - HG3 PRO 86 far 0 99 0 - 7.7-9.3 HD2 LYS 20 - HG3 PRO 86 far 0 96 0 - 7.9-11.6 HD3 LYS 20 - HG3 PRO 86 far 0 94 0 - 8.8-12.1 HG3 LYS 20 - HG3 PRO 86 far 0 94 0 - 9.3-12.7 Violated in 0 structures by 0.00 A. Peak 3843 from cnoeabs.peaks (2.19, 2.19, 27.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 PRO 86 + HG3 PRO 86 OK 100 100 - 100 HB3 GLU 75 + HB3 GLU 75 OK 91 91 - 100 Peak 3844 from cnoeabs.peaks (3.98, 2.19, 27.30 ppm; 3.42 A): 3 out of 3 assignments used, quality = 1.00: * HD2 PRO 86 + HG3 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 HD3 PRO 86 + HG3 PRO 86 OK 100 100 100 100 3.0-3.0 2.3=100 HA GLU 75 + HB3 GLU 75 OK 75 75 100 100 2.4-2.5 2.9=100 Violated in 0 structures by 0.00 A. Peak 3845 from cnoeabs.peaks (3.98, 2.19, 27.30 ppm; 3.42 A): 3 out of 3 assignments used, quality = 1.00: HD2 PRO 86 + HG3 PRO 86 OK 100 100 100 100 2.3-2.3 2.3=100 * HD3 PRO 86 + HG3 PRO 86 OK 100 100 100 100 3.0-3.0 2.3=100 HA GLU 75 + HB3 GLU 75 OK 74 74 100 100 2.4-2.5 2.9=100 Violated in 0 structures by 0.00 A. Peak 3846 from cnoeabs.peaks (8.13, 2.19, 27.30 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 87 + HG3 PRO 86 OK 100 100 100 100 1.9-2.1 7380=100, 9849/9873=52...(17) H TRP 92 - HG3 PRO 86 far 0 100 0 - 8.7-9.0 Violated in 0 structures by 0.00 A. Peak 3847 from cnoeabs.peaks (8.13, 4.22, 57.31 ppm; 3.63 A): 1 out of 2 assignments used, quality = 1.00: * H ASP 87 + HA ASP 87 OK 100 100 100 100 2.7-2.8 2.9=100 H TRP 92 - HA ASP 87 far 5 100 5 - 5.1-5.6 Violated in 0 structures by 0.00 A. Peak 3848 from cnoeabs.peaks (4.22, 4.22, 57.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 87 + HA ASP 87 OK 100 100 - 100 Peak 3849 from cnoeabs.peaks (2.50, 4.22, 57.31 ppm; 2.94 A): 3 out of 4 assignments used, quality = 1.00: HB3 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-2.7 3.0=93, 7385/2.9=23...(12) * HB2 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-3.0 3.0=93, 7385/2.9=23...(12) HD2 ARG 91 + HA ASP 87 OK 52 99 95 55 3.3-4.8 4062/9963=15, 3.5/9909=8...(16) HG3 GLU 95 - HA ASP 87 far 0 81 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 3850 from cnoeabs.peaks (2.50, 4.22, 57.31 ppm; 2.94 A): 3 out of 4 assignments used, quality = 1.00: * HB3 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-2.7 3.0=93, 7385/2.9=23...(12) HB2 ASP 87 + HA ASP 87 OK 98 100 100 98 2.3-3.0 3.0=93, 7385/2.9=23...(12) HD2 ARG 91 + HA ASP 87 OK 52 99 95 55 3.3-4.8 4062/9963=15, 3.5/9909=8...(16) HG3 GLU 95 - HA ASP 87 far 0 81 0 - 9.4-12.0 Violated in 0 structures by 0.00 A. Peak 3851 from cnoeabs.peaks (7.57, 4.22, 57.31 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 88 + HA ASP 87 OK 100 100 100 100 3.6-3.6 3.6=100 H LEU 14 - HA ASP 87 far 0 93 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 3852 from cnoeabs.peaks (8.13, 2.50, 40.10 ppm; 3.27 A): 2 out of 5 assignments used, quality = 0.99: * H ASP 87 + HB2 ASP 87 OK 93 100 100 93 2.2-3.6 4.0=53, 7385/1.8=39...(20) H ASP 87 + HB3 ASP 87 OK 93 100 100 93 2.3-3.6 4.0=53, 7384/1.8=39...(19) H TRP 92 - HB3 ASP 87 far 0 100 0 - 5.6-7.4 H TRP 92 - HB2 ASP 87 far 0 100 0 - 5.8-7.1 H HIS 106 - HB2 ASP 61 far 0 58 0 - 9.2-25.9 Violated in 0 structures by 0.00 A. Peak 3853 from cnoeabs.peaks (4.22, 2.50, 40.10 ppm; 3.09 A): 2 out of 4 assignments used, quality = 1.00: HA ASP 87 + HB3 ASP 87 OK 100 100 100 100 2.3-2.7 3.0=100 * HA ASP 87 + HB2 ASP 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 85 - HB2 ASP 87 poor 18 71 25 - 3.6-6.5 HB3 SER 85 - HB3 ASP 87 far 0 71 0 - 4.9-6.7 Violated in 0 structures by 0.00 A. Peak 3854 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 * HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 94 94 - 100 HB3 ASP 36 + HB3 ASP 36 OK 93 93 - 100 HB2 ASP 61 + HB2 ASP 61 OK 69 69 - 100 Peak 3855 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 94 94 - 100 HB3 ASP 36 + HB3 ASP 36 OK 93 93 - 100 HB2 ASP 61 + HB2 ASP 61 OK 69 69 - 100 Reference assignment not found: HB3 ASP 87 - HB2 ASP 87 Peak 3856 from cnoeabs.peaks (7.57, 2.50, 40.10 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 88 + HB2 ASP 87 OK 95 100 100 95 2.2-3.9 4.6=48, 7386/4.0=43...(21) H GLU 88 + HB3 ASP 87 OK 95 100 100 95 2.9-3.9 4.6=48, 7386/4.0=43...(19) H LEU 14 - HB2 ASP 87 far 0 93 0 - 9.6-11.1 H LEU 14 - HB3 ASP 87 far 0 93 0 - 9.7-11.4 H GLU 44 - HB3 ASP 36 far 0 69 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 3857 from cnoeabs.peaks (8.13, 2.50, 40.10 ppm; 3.27 A): 2 out of 5 assignments used, quality = 0.99: H ASP 87 + HB2 ASP 87 OK 93 100 100 93 2.2-3.6 4.0=53, 7385/1.8=39...(20) * H ASP 87 + HB3 ASP 87 OK 93 100 100 93 2.3-3.6 4.0=53, 7384/1.8=39...(19) H TRP 92 - HB3 ASP 87 far 0 100 0 - 5.6-7.4 H TRP 92 - HB2 ASP 87 far 0 100 0 - 5.8-7.1 H HIS 106 - HB2 ASP 61 far 0 58 0 - 9.2-25.9 Violated in 0 structures by 0.00 A. Peak 3858 from cnoeabs.peaks (4.22, 2.50, 40.10 ppm; 3.09 A): 2 out of 4 assignments used, quality = 1.00: * HA ASP 87 + HB3 ASP 87 OK 100 100 100 100 2.3-2.7 3.0=100 HA ASP 87 + HB2 ASP 87 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 85 - HB2 ASP 87 poor 18 71 25 - 3.6-6.5 HB3 SER 85 - HB3 ASP 87 far 0 71 0 - 4.9-6.7 Violated in 0 structures by 0.00 A. Peak 3859 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 94 94 - 100 HB3 ASP 36 + HB3 ASP 36 OK 93 93 - 100 HB2 ASP 61 + HB2 ASP 61 OK 69 69 - 100 Reference assignment not found: HB2 ASP 87 - HB3 ASP 87 Peak 3860 from cnoeabs.peaks (2.50, 2.50, 40.10 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 ASP 87 + HB3 ASP 87 OK 100 100 - 100 HB2 ASP 87 + HB2 ASP 87 OK 100 100 - 100 HB2 ASP 36 + HB2 ASP 36 OK 94 94 - 100 HB3 ASP 36 + HB3 ASP 36 OK 93 93 - 100 HB2 ASP 61 + HB2 ASP 61 OK 69 69 - 100 Peak 3861 from cnoeabs.peaks (7.57, 2.50, 40.10 ppm; 3.61 A): 2 out of 5 assignments used, quality = 1.00: H GLU 88 + HB2 ASP 87 OK 95 100 100 95 2.2-3.9 4.6=48, 7386/4.0=43...(21) * H GLU 88 + HB3 ASP 87 OK 95 100 100 95 2.9-3.9 4.6=48, 7386/4.0=43...(19) H LEU 14 - HB2 ASP 87 far 0 93 0 - 9.6-11.1 H LEU 14 - HB3 ASP 87 far 0 93 0 - 9.7-11.4 H GLU 44 - HB3 ASP 36 far 0 69 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 3862 from cnoeabs.peaks (7.57, 3.66, 58.73 ppm; 3.55 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 88 + HA GLU 88 OK 100 100 100 100 2.8-2.8 3.0=100 H LEU 14 + HA LEU 14 OK 47 47 100 100 2.8-2.8 3.0=100 H GLU 88 - HA LEU 14 far 0 55 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 3863 from cnoeabs.peaks (3.66, 3.66, 58.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 88 + HA GLU 88 OK 100 100 - 100 HA LEU 14 + HA LEU 14 OK 43 43 - 100 Peak 3864 from cnoeabs.peaks (1.81, 3.66, 58.73 ppm; 3.65 A): 1 out of 11 assignments used, quality = 1.00: * HB2 GLU 88 + HA GLU 88 OK 100 100 100 100 2.4-2.7 3.0=100 HB2 LYS 90 - HA LEU 14 far 8 55 15 - 4.6-7.2 HB2 GLU 104 - HA GLU 88 far 0 100 0 - 5.2-17.9 HB3 LYS 90 - HA LEU 14 far 0 41 0 - 5.5-7.9 HB2 LYS 90 - HA GLU 88 far 0 100 0 - 6.4-7.8 HB3 LYS 90 - HA GLU 88 far 0 85 0 - 7.5-8.0 HB3 LEU 57 - HA GLU 88 far 0 96 0 - 7.7-9.0 HB ILE 93 - HA GLU 88 far 0 100 0 - 7.7-8.2 HB3 LEU 57 - HA LEU 14 far 0 50 0 - 7.9-8.8 HB2 GLU 88 - HA LEU 14 far 0 55 0 - 8.0-10.0 HB ILE 93 - HA LEU 14 far 0 55 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 3865 from cnoeabs.peaks (2.08, 3.66, 58.73 ppm; 3.44 A): 3 out of 12 assignments used, quality = 1.00: * HB3 GLU 88 + HA GLU 88 OK 100 100 100 100 2.9-3.0 3.0=100 HB VAL 83 + HA GLU 88 OK 62 68 100 92 4.6-4.9 9822/3.0=26, 7403/3.6=18...(20) HB3 PRO 86 + HA LEU 14 OK 38 39 100 98 2.9-3.8 2.3/9885=47, 2.3/9887=34...(37) HG3 GLU 104 - HA GLU 88 far 5 92 5 - 4.7-18.6 HB2 GLU 16 - HA LEU 14 far 0 55 0 - 5.0-6.9 HB VAL 83 - HA LEU 14 far 0 31 0 - 7.3-8.2 HB3 GLU 88 - HA LEU 14 far 0 55 0 - 7.5-8.4 HB3 PRO 86 - HA GLU 88 far 0 82 0 - 7.6-7.7 HB2 MET 21 - HA LEU 14 far 0 39 0 - 7.7-9.8 QE MET 21 - HA GLU 88 far 0 91 0 - 8.1-8.8 QE MET 21 - HA LEU 14 far 0 45 0 - 8.8-9.8 HB2 MET 21 - HA GLU 88 far 0 82 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 3866 from cnoeabs.peaks (2.14, 3.66, 58.73 ppm; 3.63 A): 4 out of 11 assignments used, quality = 1.00: * HG2 GLU 88 + HA GLU 88 OK 100 100 100 100 2.1-2.7 3887=74, 3889/3.0=72...(23) HB VAL 83 + HA GLU 88 OK 76 79 100 96 4.6-4.9 9822/3.0=36, 3883/3.0=30...(21) HB2 PRO 86 + HA LEU 14 OK 44 44 100 99 1.7-2.5 2.3/9885=53, 2.3/9887=39...(36) HB3 PRO 86 + HA LEU 14 OK 28 28 100 99 2.9-3.8 2.3/9885=53, 2.3/9887=39...(34) HB3 GLU 16 - HA LEU 14 poor 13 42 30 - 4.8-7.1 HG2 GLU 104 - HA GLU 88 far 0 100 0 - 6.0-17.6 HB VAL 83 - HA LEU 14 far 0 37 0 - 7.3-8.2 HB3 PRO 86 - HA GLU 88 far 0 63 0 - 7.6-7.7 HB2 PRO 86 - HA GLU 88 far 0 90 0 - 8.4-8.5 HG2 GLU 88 - HA LEU 14 far 0 55 0 - 8.5-10.3 HB3 GLU 95 - HA GLU 88 far 0 95 0 - 8.8-10.7 Violated in 0 structures by 0.00 A. Peak 3867 from cnoeabs.peaks (1.94, 3.66, 58.73 ppm; 3.48 A): 3 out of 9 assignments used, quality = 1.00: * HG3 GLU 88 + HA GLU 88 OK 100 100 100 100 3.4-3.8 3894=70, 1.8/3887=57...(19) HB2 GLU 17 + HA LEU 14 OK 46 55 100 83 2.6-4.9 3.0/8477=27, 3.0/8478=19...(18) HB2 LYS 13 + HA LEU 14 OK 37 39 100 95 4.1-4.4 3.0/8391=26, 4.0/8389=22...(31) HB3 LYS 13 - HA LEU 14 far 0 37 0 - 5.6-5.6 HB3 ARG 19 - HA LEU 14 far 0 51 0 - 7.7-9.7 HB2 LYS 94 - HA GLU 88 far 0 91 0 - 8.0-10.5 HG3 GLU 88 - HA LEU 14 far 0 55 0 - 8.2-10.3 HB2 GLU 17 - HA GLU 88 far 0 100 0 - 8.5-10.3 HB3 LYS 20 - HA LEU 14 far 0 53 0 - 9.0-10.5 Violated in 1 structures by 0.00 A. Peak 3868 from cnoeabs.peaks (7.42, 3.66, 58.73 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: * H ALA 89 + HA GLU 88 OK 100 100 100 100 3.4-3.5 3.6=100 HE3 TRP 92 + HA GLU 88 OK 77 100 90 86 5.1-5.9 14641/4.2=32...(11) H ALA 89 - HA LEU 14 poor 19 55 35 - 5.4-6.4 HE ARG 19 - HA LEU 14 far 0 39 0 - 8.5-12.2 Violated in 0 structures by 0.00 A. Peak 3869 from cnoeabs.peaks (7.47, 3.66, 58.73 ppm; 4.23 A): 3 out of 5 assignments used, quality = 1.00: * H ARG 91 + HA GLU 88 OK 100 100 100 100 3.9-4.3 7429/3.6=76...(22) HZ2 TRP 92 + HA GLU 88 OK 72 91 100 80 4.0-4.7 2.8/9970=34, ~9974=30...(8) HE3 TRP 92 + HA GLU 88 OK 31 59 90 59 5.1-5.9 5.3/9970=24...(11) H ARG 91 - HA LEU 14 far 0 55 0 - 7.3-8.5 HE ARG 19 - HA LEU 14 far 0 48 0 - 8.5-12.2 Violated in 0 structures by 0.00 A. Peak 3870 from cnoeabs.peaks (1.49, 3.66, 58.73 ppm; 3.55 A): 3 out of 13 assignments used, quality = 0.99: * HB2 ARG 91 + HA GLU 88 OK 96 100 100 96 2.8-4.5 4024=62, 1.8/3871=30...(17) HG3 ARG 91 + HA GLU 88 OK 63 70 100 91 4.1-4.5 2.8/4024=46, 2.9/9960=28...(16) HB2 LEU 14 + HA LEU 14 OK 29 29 100 100 2.2-2.3 3.0=100 HG3 LYS 13 - HA LEU 14 far 8 52 15 - 3.6-5.7 HG LEU 57 - HA GLU 88 far 0 96 0 - 6.1-7.0 HG2 LYS 20 - HA LEU 14 far 0 37 0 - 7.2-8.6 HB3 LEU 103 - HA GLU 88 far 0 63 0 - 7.5-16.7 HG LEU 57 - HA LEU 14 far 0 50 0 - 7.7-9.3 HB ILE 7 - HA LEU 14 far 0 29 0 - 7.8-8.3 HG3 ARG 91 - HA LEU 14 far 0 32 0 - 7.9-9.3 HB2 LEU 14 - HA GLU 88 far 0 65 0 - 8.2-9.1 HB2 ARG 91 - HA LEU 14 far 0 55 0 - 9.2-10.9 HD2 LYS 82 - HA GLU 88 far 0 82 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 3871 from cnoeabs.peaks (1.68, 3.66, 58.73 ppm; 3.61 A): 4 out of 14 assignments used, quality = 0.99: * HB3 ARG 91 + HA GLU 88 OK 96 100 100 96 2.9-4.8 1.8/4024=58, 3.5/9960=27...(16) HG2 PRO 86 + HA LEU 14 OK 52 53 100 98 3.7-4.6 9887=41, 3.8/9885=37...(24) HD2 LYS 13 + HA LEU 14 OK 40 48 85 97 2.8-6.7 ~6191=19, 5.5/8391=18...(70) HD3 LYS 13 + HA LEU 14 OK 38 46 85 97 2.9-6.6 ~6191=19, 5.5/8391=18...(70) HD3 LYS 90 - HA LEU 14 far 8 51 15 - 4.4-7.9 HG12 ILE 15 - HA LEU 14 far 0 52 0 - 5.6-6.0 HD3 LYS 90 - HA GLU 88 far 0 97 0 - 5.9-7.8 HD3 LYS 20 - HA LEU 14 far 0 54 0 - 6.8-9.3 HD2 LYS 20 - HA LEU 14 far 0 55 0 - 6.8-8.8 HG3 LYS 20 - HA LEU 14 far 0 54 0 - 6.9-9.7 HD2 LYS 12 - HA LEU 14 far 0 48 0 - 7.2-9.5 HD3 LYS 12 - HA LEU 14 far 0 48 0 - 7.6-10.8 HG2 PRO 86 - HA GLU 88 far 0 99 0 - 8.9-9.1 HB3 ARG 91 - HA LEU 14 far 0 55 0 - 9.6-11.8 Violated in 2 structures by 0.01 A. Peak 3872 from cnoeabs.peaks (7.57, 1.81, 30.05 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.1-3.6 3.9=100 H GLU 88 - HB2 GLU 104 far 0 90 0 - 7.8-20.6 H LEU 14 - HB2 GLU 88 far 0 93 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 3873 from cnoeabs.peaks (3.66, 1.81, 30.05 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLU 88 - HB2 GLU 104 far 9 90 10 - 5.2-17.9 HB THR 80 - HB2 GLU 104 far 0 78 0 - 7.6-17.7 HA LEU 14 - HB2 GLU 88 far 0 88 0 - 8.0-10.0 HA LYS 90 - HB2 GLU 104 far 0 87 0 - 8.0-19.8 HA LYS 90 - HB2 GLU 88 far 0 99 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 3874 from cnoeabs.peaks (1.81, 1.81, 30.05 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 88 + HB2 GLU 88 OK 100 100 - 100 HB2 GLU 104 + HB2 GLU 104 OK 90 90 - 100 Peak 3875 from cnoeabs.peaks (2.08, 1.81, 30.05 ppm; 2.86 A): 3 out of 12 assignments used, quality = 1.00: * HB3 GLU 88 + HB2 GLU 88 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 104 + HB2 GLU 104 OK 74 78 100 94 2.2-3.0 3.0=85, 4519/3.0=25...(5) HB VAL 83 + HB2 GLU 88 OK 64 68 100 95 2.9-3.5 9822=23, 3.0/12222=22...(29) HB2 GLU 99 - HB2 GLU 104 far 0 57 0 - 6.3-12.0 HG3 GLU 104 - HB2 GLU 88 far 0 92 0 - 6.4-19.2 HB3 PRO 86 - HB2 GLU 88 far 0 82 0 - 7.1-8.7 HB3 GLU 88 - HB2 GLU 104 far 0 90 0 - 7.6-19.6 QE MET 21 - HB2 GLU 104 far 0 77 0 - 7.7-16.6 HB VAL 83 - HB2 GLU 104 far 0 55 0 - 9.0-20.4 HB2 LEU 64 - HB2 GLU 104 far 0 55 0 - 9.3-21.5 HB2 GLU 98 - HB2 GLU 104 far 0 59 0 - 9.4-16.8 QE MET 21 - HB2 GLU 88 far 0 91 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3876 from cnoeabs.peaks (2.14, 1.81, 30.05 ppm; 3.20 A): 3 out of 11 assignments used, quality = 1.00: * HG2 GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.8-3.0 3.0=100 HG2 GLU 104 + HB2 GLU 104 OK 89 89 100 100 2.2-3.0 3.0=100 HB VAL 83 + HB2 GLU 88 OK 78 79 100 99 2.9-3.5 9822=40, 3883/1.8=34...(29) HB3 GLU 95 - HB2 GLU 104 far 0 82 0 - 4.7-13.2 HB3 PRO 86 - HB2 GLU 88 far 0 63 0 - 7.1-8.7 HG2 GLU 88 - HB2 GLU 104 far 0 90 0 - 7.4-19.9 HB2 PRO 86 - HB2 GLU 88 far 0 90 0 - 7.5-9.1 HG2 GLU 104 - HB2 GLU 88 far 0 100 0 - 7.6-18.7 HB VAL 83 - HB2 GLU 104 far 0 65 0 - 9.0-20.4 HB2 LEU 64 - HB2 GLU 104 far 0 65 0 - 9.3-21.5 HB3 GLU 95 - HB2 GLU 88 far 0 95 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3877 from cnoeabs.peaks (1.94, 1.81, 30.05 ppm; 4.32 A): 1 out of 5 assignments used, quality = 1.00: * HG3 GLU 88 + HB2 GLU 88 OK 100 100 100 100 2.5-2.8 3.0=100 HB2 LYS 94 - HB2 GLU 104 far 4 77 5 - 5.6-19.5 HG3 GLU 88 - HB2 GLU 104 far 0 90 0 - 8.5-20.6 HB2 GLU 17 - HB2 GLU 88 far 0 100 0 - 8.6-11.6 HB2 LYS 94 - HB2 GLU 88 far 0 91 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 3878 from cnoeabs.peaks (7.42, 1.81, 30.05 ppm; 4.38 A): 2 out of 5 assignments used, quality = 1.00: * H ALA 89 + HB2 GLU 88 OK 100 100 100 100 3.6-4.2 4.3=100 HE3 TRP 92 + HB2 GLU 88 OK 86 100 90 96 4.3-7.0 14641/3.0=37...(13) HE3 TRP 92 - HB2 GLU 104 far 4 89 5 - 5.7-15.0 HE22 GLN 72 - HB2 GLU 104 far 0 83 0 - 7.5-20.1 H ALA 89 - HB2 GLU 104 far 0 90 0 - 7.7-20.3 Violated in 0 structures by 0.00 A. Peak 3879 from cnoeabs.peaks (7.57, 2.08, 30.05 ppm; 3.78 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 88 + HB3 GLU 88 OK 100 100 100 100 2.7-3.1 3.9=94, 7393/1.8=83...(22) H LEU 14 - HB3 GLU 88 far 0 93 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 3880 from cnoeabs.peaks (3.66, 2.08, 30.05 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 88 + HB3 GLU 88 OK 100 100 100 100 2.9-3.0 3.0=100 HA LEU 14 - HB3 GLU 88 far 0 88 0 - 7.5-8.4 HA LYS 90 - HB3 GLU 88 far 0 99 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 3881 from cnoeabs.peaks (1.81, 2.08, 30.05 ppm; 3.10 A): 1 out of 8 assignments used, quality = 1.00: * HB2 GLU 88 + HB3 GLU 88 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LEU 57 - HB3 GLU 88 far 0 96 0 - 6.2-7.4 HG2 ARG 46 - HB3 GLU 48 far 0 27 0 - 6.6-9.6 HG3 ARG 46 - HB3 GLU 48 far 0 24 0 - 6.8-9.8 HB2 LYS 90 - HB3 GLU 88 far 0 100 0 - 7.5-8.7 HB2 GLU 104 - HB3 GLU 88 far 0 100 0 - 7.6-19.6 HB3 LYS 90 - HB3 GLU 88 far 0 85 0 - 8.3-9.1 HB ILE 93 - HB3 GLU 88 far 0 100 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 3882 from cnoeabs.peaks (2.08, 2.08, 30.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 88 + HB3 GLU 88 OK 100 100 - 100 Peak 3883 from cnoeabs.peaks (2.14, 2.08, 30.05 ppm; 2.82 A): 2 out of 6 assignments used, quality = 1.00: * HG2 GLU 88 + HB3 GLU 88 OK 100 100 100 100 2.6-2.8 3889=100, 3887/3.0=28...(15) HB VAL 83 + HB3 GLU 88 OK 75 79 100 95 1.7-1.9 9822/1.8=26...(31) HB3 PRO 86 - HB3 GLU 88 far 0 63 0 - 7.1-7.5 HB2 PRO 86 - HB3 GLU 88 far 0 90 0 - 7.3-7.8 HG2 GLU 44 - HB3 GLU 48 far 0 30 0 - 7.9-11.8 HG2 GLU 104 - HB3 GLU 88 far 0 100 0 - 8.7-19.0 Violated in 0 structures by 0.00 A. Peak 3884 from cnoeabs.peaks (1.94, 2.08, 30.05 ppm; 3.07 A): 1 out of 7 assignments used, quality = 1.00: * HG3 GLU 88 + HB3 GLU 88 OK 100 100 100 100 2.2-2.3 3.0=100 HB3 LYS 47 - HB3 GLU 48 far 1 26 5 - 4.1-6.0 HB2 LYS 47 - HB3 GLU 48 far 1 22 5 - 4.4-6.4 HB3 ARG 46 - HB3 GLU 48 far 0 27 0 - 7.0-9.2 HB2 GLU 17 - HB3 GLU 88 far 0 100 0 - 8.2-10.4 HB3 MET 74 - HB3 GLU 48 far 0 26 0 - 9.8-13.3 HB2 MET 1 - HB3 GLU 48 far 0 31 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 3885 from cnoeabs.peaks (7.42, 2.08, 30.05 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 89 + HB3 GLU 88 OK 100 100 100 100 2.9-3.1 4.3=96, 7397/3879=67...(26) HE3 TRP 92 + HB3 GLU 88 OK 68 100 75 91 5.2-5.9 3878/1.8=33...(14) Violated in 0 structures by 0.00 A. Peak 3886 from cnoeabs.peaks (7.57, 2.14, 36.78 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 88 + HG2 GLU 88 OK 100 100 100 100 1.9-4.5 7393/3.0=66...(20) Violated in 2 structures by 0.04 A. Peak 3887 from cnoeabs.peaks (3.66, 2.14, 36.78 ppm; 4.02 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 88 + HG2 GLU 88 OK 100 100 100 100 2.1-2.7 4.2=88, 3.0/3889=82...(23) HA LYS 90 - HG2 GLU 88 far 0 99 0 - 8.5-8.9 HA LEU 14 - HG2 GLU 88 far 0 88 0 - 8.5-10.3 Violated in 0 structures by 0.00 A. Peak 3888 from cnoeabs.peaks (1.81, 2.14, 36.78 ppm; 3.75 A): 1 out of 6 assignments used, quality = 1.00: * HB2 GLU 88 + HG2 GLU 88 OK 100 100 100 100 2.8-3.0 3.0=100 HB2 GLU 104 - HG2 GLU 88 far 0 100 0 - 7.4-19.9 HB2 LYS 90 - HG2 GLU 88 far 0 100 0 - 7.6-9.6 HB3 LEU 57 - HG2 GLU 88 far 0 96 0 - 7.9-10.1 HB3 LYS 90 - HG2 GLU 88 far 0 85 0 - 8.9-9.6 HB ILE 93 - HG2 GLU 88 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 3889 from cnoeabs.peaks (2.08, 2.14, 36.78 ppm; 2.69 A): 1 out of 5 assignments used, quality = 0.93: * HB3 GLU 88 + HG2 GLU 88 OK 93 100 100 93 2.6-2.8 3.0=71, 3.0/3887=25...(15) HB VAL 83 - HG2 GLU 88 far 3 68 5 - 3.7-4.5 HG3 GLU 104 - HG2 GLU 88 far 0 92 0 - 7.0-20.6 HB3 PRO 86 - HG2 GLU 88 far 0 82 0 - 7.1-9.3 QE MET 21 - HG2 GLU 88 far 0 91 0 - 9.8-10.6 Violated in 19 structures by 0.11 A. Peak 3890 from cnoeabs.peaks (2.14, 2.14, 36.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 88 + HG2 GLU 88 OK 100 100 - 100 Peak 3891 from cnoeabs.peaks (1.94, 2.14, 36.78 ppm; 2.79 A): 1 out of 2 assignments used, quality = 1.00: * HG3 GLU 88 + HG2 GLU 88 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 17 - HG2 GLU 88 far 0 100 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 3892 from cnoeabs.peaks (7.42, 2.14, 36.78 ppm; 5.19 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 89 + HG2 GLU 88 OK 100 100 100 100 4.2-4.9 7397/3886=88...(23) HE3 TRP 92 - HG2 GLU 88 far 10 100 10 - 4.2-7.7 Violated in 0 structures by 0.00 A. Peak 3893 from cnoeabs.peaks (7.57, 1.94, 36.78 ppm; 4.42 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 88 + HG3 GLU 88 OK 100 100 100 100 2.6-4.6 3886/1.8=89, 7393/3.0=80...(18) H LEU 14 - HG3 GLU 88 far 0 93 0 - 9.7-11.7 Violated in 2 structures by 0.02 A. Peak 3894 from cnoeabs.peaks (3.66, 1.94, 36.78 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HA GLU 88 + HG3 GLU 88 OK 100 100 100 100 3.4-3.8 4.2=82, 3887/1.8=72...(19) HA LEU 14 - HG3 GLU 88 far 0 88 0 - 8.2-10.3 HA LYS 90 - HG3 GLU 88 far 0 99 0 - 9.4-9.7 Violated in 0 structures by 0.00 A. Peak 3895 from cnoeabs.peaks (1.81, 1.94, 36.78 ppm; 3.59 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 88 + HG3 GLU 88 OK 100 100 100 100 2.5-2.8 3.0=100 HB3 LEU 57 - HG3 GLU 88 far 0 96 0 - 8.3-9.5 HB2 GLU 104 - HG3 GLU 88 far 0 100 0 - 8.5-20.6 HB2 LYS 90 - HG3 GLU 88 far 0 100 0 - 8.6-10.3 HB3 LYS 90 - HG3 GLU 88 far 0 85 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 3896 from cnoeabs.peaks (2.08, 1.94, 36.78 ppm; 3.23 A): 2 out of 4 assignments used, quality = 1.00: * HB3 GLU 88 + HG3 GLU 88 OK 100 100 100 100 2.2-2.3 3.0=100 HB VAL 83 + HG3 GLU 88 OK 64 68 100 95 2.9-3.3 2.1/9814=32, 9822/3.0=23...(21) HB3 PRO 86 - HG3 GLU 88 far 0 82 0 - 7.3-9.6 HG3 GLU 104 - HG3 GLU 88 far 0 92 0 - 8.4-21.2 Violated in 0 structures by 0.00 A. Peak 3897 from cnoeabs.peaks (2.14, 1.94, 36.78 ppm; 2.86 A): 2 out of 5 assignments used, quality = 1.00: * HG2 GLU 88 + HG3 GLU 88 OK 100 100 100 100 1.8-1.8 1.8=100 HB VAL 83 + HG3 GLU 88 OK 72 79 100 91 2.9-3.3 2.1/9814=23, 9822/3.0=22...(21) HB3 PRO 86 - HG3 GLU 88 far 0 63 0 - 7.3-9.6 HB2 PRO 86 - HG3 GLU 88 far 0 90 0 - 7.5-9.9 HG2 GLU 104 - HG3 GLU 88 far 0 100 0 - 9.8-20.1 Violated in 0 structures by 0.00 A. Peak 3898 from cnoeabs.peaks (1.94, 1.94, 36.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 88 + HG3 GLU 88 OK 100 100 - 100 Peak 3899 from cnoeabs.peaks (7.42, 1.94, 36.78 ppm; 5.29 A): 1 out of 2 assignments used, quality = 1.00: * H ALA 89 + HG3 GLU 88 OK 100 100 100 100 4.4-5.1 7405=87, 3892/1.8=83...(22) HE3 TRP 92 - HG3 GLU 88 far 10 100 10 - 5.1-7.6 Violated in 0 structures by 0.00 A. Peak 3900 from cnoeabs.peaks (7.42, 3.90, 55.61 ppm; 3.63 A): 2 out of 2 assignments used, quality = 1.00: * H ALA 89 + HA ALA 89 OK 100 100 100 100 2.9-2.9 3.0=100 HE3 TRP 92 + HA ALA 89 OK 88 100 100 88 4.2-4.9 4.2/3905=32, 4.2/3906=27...(14) Violated in 0 structures by 0.00 A. Peak 3901 from cnoeabs.peaks (3.90, 3.90, 55.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 89 + HA ALA 89 OK 100 100 - 100 Peak 3902 from cnoeabs.peaks (1.34, 3.90, 55.61 ppm; 2.97 A): 1 out of 6 assignments used, quality = 1.00: * QB ALA 89 + HA ALA 89 OK 100 100 100 100 2.1-2.1 2.1=100 HG LEU 14 - HA ALA 89 far 0 99 0 - 4.6-6.4 HG2 LYS 94 - HA ALA 89 far 0 100 0 - 9.1-11.6 HG12 ILE 8 - HA ALA 89 far 0 87 0 - 9.1-11.1 QB ALA 25 - HA ALA 89 far 0 100 0 - 9.3-10.2 HB2 LYS 82 - HA ALA 89 far 0 100 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 3903 from cnoeabs.peaks (8.05, 3.90, 55.61 ppm; 4.64 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 90 + HA ALA 89 OK 100 100 100 100 3.6-3.6 3.6=100 H ILE 15 - HA ALA 89 far 0 81 0 - 8.1-9.3 H GLU 17 - HA ALA 89 far 0 95 0 - 8.6-9.8 H GLU 16 - HA ALA 89 far 0 77 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 3904 from cnoeabs.peaks (8.14, 3.90, 55.61 ppm; 4.80 A): 1 out of 3 assignments used, quality = 1.00: * H TRP 92 + HA ALA 89 OK 100 100 100 100 3.6-3.9 7453/3.6=78...(20) H ASP 87 - HA ALA 89 far 0 100 0 - 6.8-6.9 H HIS 106 - HA ALA 89 far 0 94 0 - 9.3-20.7 Violated in 0 structures by 0.00 A. Peak 3905 from cnoeabs.peaks (3.10, 3.90, 55.61 ppm; 4.53 A): 1 out of 6 assignments used, quality = 0.99: * HB2 TRP 92 + HA ALA 89 OK 99 100 100 99 2.8-4.8 1.8/3906=64, 3.9/9935=57...(17) HB2 PHE 96 - HA ALA 89 far 0 100 0 - 7.9-8.8 HB3 HIS 105 - HA ALA 89 far 0 65 0 - 8.0-21.6 HD3 ARG 79 - HA ALA 89 far 0 82 0 - 8.3-13.7 HD2 ARG 79 - HA ALA 89 far 0 79 0 - 9.1-13.7 HB2 HIS 105 - HA ALA 89 far 0 87 0 - 9.3-21.1 Violated in 4 structures by 0.03 A. Peak 3906 from cnoeabs.peaks (3.19, 3.90, 55.61 ppm; 5.13 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 92 + HA ALA 89 OK 100 100 100 100 2.9-4.9 1.8/3905=92, 3.9/9935=70...(15) HB2 HIS 106 - HA ALA 89 far 0 99 0 - 8.5-22.5 Violated in 0 structures by 0.00 A. Peak 3907 from cnoeabs.peaks (7.42, 1.34, 17.35 ppm; 3.05 A): 1 out of 3 assignments used, quality = 1.00: * H ALA 89 + QB ALA 89 OK 100 100 100 100 2.1-2.3 2.9=100 HE3 TRP 92 - QB ALA 89 far 0 100 0 - 5.4-6.0 HE ARG 19 - QB ALA 89 far 0 82 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 3908 from cnoeabs.peaks (3.90, 1.34, 17.35 ppm; 2.91 A): 1 out of 5 assignments used, quality = 1.00: * HA ALA 89 + QB ALA 89 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 SER 85 - QB ALA 89 far 0 100 0 - 5.3-6.4 HB3 SER 9 - QB ALA 89 far 0 85 0 - 5.7-6.4 HA ARG 91 - QB ALA 89 far 0 98 0 - 6.4-6.6 HA LYS 94 - QB ALA 89 far 0 68 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 3909 from cnoeabs.peaks (1.34, 1.34, 17.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 89 + QB ALA 89 OK 100 100 - 100 Peak 3910 from cnoeabs.peaks (8.05, 1.34, 17.35 ppm; 3.38 A): 1 out of 5 assignments used, quality = 0.99: * H LYS 90 + QB ALA 89 OK 99 100 100 99 2.2-2.5 3.6=80, 7408/7407=58...(27) H ILE 15 - QB ALA 89 far 4 81 5 - 4.9-5.8 H GLU 17 - QB ALA 89 far 0 95 0 - 5.3-6.2 H GLU 16 - QB ALA 89 far 0 77 0 - 5.8-6.6 H LYS 13 - QB ALA 89 far 0 79 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 3911 from cnoeabs.peaks (8.05, 3.67, 60.35 ppm; 3.60 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 90 + HA LYS 90 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 17 - HA LYS 90 far 0 95 0 - 6.6-8.3 H GLU 16 - HA LYS 90 far 0 77 0 - 8.4-9.7 H ILE 15 - HA LYS 90 far 0 81 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 3912 from cnoeabs.peaks (3.67, 3.67, 60.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 90 + HA LYS 90 OK 100 100 - 100 Peak 3913 from cnoeabs.peaks (1.81, 3.67, 60.35 ppm; 3.09 A): 3 out of 6 assignments used, quality = 1.00: * HB2 LYS 90 + HA LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB ILE 93 + HA LYS 90 OK 93 99 100 94 2.2-3.0 4129=41, 3.2/10025=31...(22) HB3 LYS 90 + HA LYS 90 OK 90 90 100 100 2.2-2.6 3.0=100 HB3 LEU 57 - HA LYS 90 far 0 98 0 - 6.8-7.7 HB2 GLU 104 - HA LYS 90 far 0 100 0 - 8.0-19.8 HB2 GLU 88 - HA LYS 90 far 0 100 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 3914 from cnoeabs.peaks (1.83, 3.67, 60.35 ppm; 3.30 A): 3 out of 8 assignments used, quality = 1.00: * HB3 LYS 90 + HA LYS 90 OK 100 100 100 100 2.2-2.6 3.0=100 HB2 LYS 90 + HA LYS 90 OK 90 90 100 100 2.3-3.0 3.0=100 HB ILE 93 + HA LYS 90 OK 71 75 100 94 2.2-3.0 3.2/10025=36, 4129=34...(22) HB3 LEU 57 - HA LYS 90 far 0 99 0 - 6.8-7.7 HB VAL 5 - HA LYS 90 far 0 82 0 - 7.1-8.1 HB2 GLU 104 - HA LYS 90 far 0 85 0 - 8.0-19.8 HB2 GLU 88 - HA LYS 90 far 0 85 0 - 8.4-8.7 HB3 GLU 104 - HA LYS 90 far 0 65 0 - 8.5-20.1 Violated in 0 structures by 0.00 A. Peak 3915 from cnoeabs.peaks (1.29, 3.67, 60.35 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + HA LYS 90 OK 100 100 100 100 2.6-4.0 4.0=74, 7419/3.0=59...(46) Violated in 4 structures by 0.04 A. Peak 3916 from cnoeabs.peaks (1.58, 3.67, 60.35 ppm; 3.86 A): 2 out of 6 assignments used, quality = 1.00: * HG3 LYS 90 + HA LYS 90 OK 100 100 100 100 3.3-4.1 4.0=93, 1.8/3915=81...(45) HD3 LYS 94 + HA LYS 90 OK 30 97 45 68 3.7-7.6 12251/8543=22...(12) HB3 LEU 29 - HA LYS 90 far 0 98 0 - 6.5-8.8 HG2 LYS 24 - HA LYS 90 far 0 100 0 - 7.8-11.5 HG2 ARG 19 - HA LYS 90 far 0 100 0 - 8.1-10.1 HG LEU 27 - HA LYS 90 far 0 97 0 - 8.5-10.4 Violated in 4 structures by 0.02 A. Peak 3917 from cnoeabs.peaks (1.74, 3.67, 60.35 ppm; 4.04 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 90 + HA LYS 90 OK 100 100 100 100 4.3-5.0 2.9/3915=68, 7421/3.0=59...(54) HG3 ARG 19 - HA LYS 90 far 0 91 0 - 8.3-10.0 HD2 LYS 13 - HA LYS 90 far 0 59 0 - 9.3-13.8 HD3 LYS 13 - HA LYS 90 far 0 63 0 - 9.6-14.6 HB ILE 15 - HA LYS 90 far 0 99 0 - 9.9-11.0 Violated in 20 structures by 0.60 A. Peak 3918 from cnoeabs.peaks (1.70, 3.67, 60.35 ppm; 4.29 A): 1 out of 12 assignments used, quality = 1.00: * HD3 LYS 90 + HA LYS 90 OK 100 100 100 100 4.2-4.9 2.9/3915=75, 7422/3.0=66...(52) HB3 ARG 91 - HA LYS 90 far 0 97 0 - 5.8-6.6 HG3 LYS 20 - HA LYS 90 far 0 90 0 - 6.1-9.3 HD2 LYS 20 - HA LYS 90 far 0 93 0 - 6.9-9.8 HD3 LYS 20 - HA LYS 90 far 0 90 0 - 7.3-9.7 HD3 LYS 24 - HA LYS 90 far 0 100 0 - 8.4-12.2 HG2 PRO 86 - HA LYS 90 far 0 100 0 - 8.9-9.4 HG12 ILE 15 - HA LYS 90 far 0 100 0 - 9.1-10.3 HD2 LYS 24 - HA LYS 90 far 0 100 0 - 9.1-12.4 HD2 LYS 13 - HA LYS 90 far 0 100 0 - 9.3-13.8 HD3 LYS 13 - HA LYS 90 far 0 100 0 - 9.6-14.6 HB ILE 15 - HA LYS 90 far 0 71 0 - 9.9-11.0 Violated in 14 structures by 0.21 A. Peak 3920 from cnoeabs.peaks (2.94, 3.67, 60.35 ppm; 3.87 A): 1 out of 8 assignments used, quality = 1.00: HG2 MET 21 + HA LYS 90 OK 100 100 100 100 1.8-3.2 8546=73, 3.4/8543=50...(28) ! HE3 LYS 90 - HA LYS 90 far 5 100 5 - 5.2-6.3 HE2 LYS 94 - HA LYS 90 far 0 96 0 - 5.7-7.9 HE3 LYS 94 - HA LYS 90 far 0 85 0 - 6.1-8.5 HE2 LYS 20 - HA LYS 90 far 0 87 0 - 7.9-10.4 HE3 LYS 24 - HA LYS 90 far 0 84 0 - 8.1-12.7 HE3 LYS 20 - HA LYS 90 far 0 88 0 - 8.2-10.1 HE2 LYS 24 - HA LYS 90 far 0 84 0 - 8.3-13.0 Violated in 0 structures by 0.00 A. Peak 3921 from cnoeabs.peaks (7.47, 3.67, 60.35 ppm; 4.37 A): 1 out of 2 assignments used, quality = 1.00: * H ARG 91 + HA LYS 90 OK 100 100 100 100 3.5-3.6 3.6=100 HE3 TRP 92 - HA LYS 90 far 0 59 0 - 8.1-8.6 Violated in 0 structures by 0.00 A. Peak 3922 from cnoeabs.peaks (8.36, 3.67, 60.35 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: * H ILE 93 + HA LYS 90 OK 100 100 100 100 3.3-3.7 7493/4129=66, 7479=64...(18) H GLU 95 - HA LYS 90 far 0 100 0 - 6.4-7.9 Violated in 0 structures by 0.00 A. Peak 3923 from cnoeabs.peaks (1.80, 3.67, 60.35 ppm; 3.15 A): 3 out of 6 assignments used, quality = 1.00: HB2 LYS 90 + HA LYS 90 OK 99 99 100 100 2.3-3.0 3.0=100 * HB ILE 93 + HA LYS 90 OK 95 100 100 95 2.2-3.0 4129=44, 3.2/10025=32...(22) HB3 LYS 90 + HA LYS 90 OK 75 75 100 100 2.2-2.6 3.0=100 HB3 LEU 57 - HA LYS 90 far 0 91 0 - 6.8-7.7 HB2 GLU 104 - HA LYS 90 far 0 100 0 - 8.0-19.8 HB2 GLU 88 - HA LYS 90 far 0 100 0 - 8.4-8.7 Violated in 0 structures by 0.00 A. Peak 3924 from cnoeabs.peaks (8.05, 1.81, 32.09 ppm; 3.44 A): 3 out of 12 assignments used, quality = 1.00: * H LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.1-3.5 4.1=60, 7419/2.8=56...(24) H LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.9-3.6 4.1=60, 7419/2.8=56...(18) H LYS 39 + HB2 LYS 39 OK 51 52 100 97 2.1-2.9 4.0=62, 4.6/6620=30...(24) H GLU 17 - HB2 LYS 90 far 14 95 15 - 4.9-8.3 H GLU 17 - HB3 LYS 90 far 0 70 0 - 5.3-7.9 H GLU 16 - HB2 LYS 90 far 0 77 0 - 7.0-10.2 H ILE 15 - HB2 LYS 90 far 0 81 0 - 7.4-10.1 H GLU 16 - HB3 LYS 90 far 0 53 0 - 7.4-10.0 H ILE 15 - HB3 LYS 90 far 0 56 0 - 7.9-10.3 H GLU 75 - HB2 LYS 39 far 0 64 0 - 8.1-10.4 H ARG 46 - HB2 LYS 39 far 0 75 0 - 9.5-10.7 H LYS 13 - HB2 LYS 90 far 0 79 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 3925 from cnoeabs.peaks (3.67, 1.81, 32.09 ppm; 3.74 A): 3 out of 9 assignments used, quality = 1.00: * HA LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HA LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.2-2.6 3.0=100 HB THR 80 + HB2 LYS 68 OK 56 63 90 99 2.4-5.6 10788/2.9=30, ~12321=29...(23) HA LEU 14 - HB2 LYS 90 poor 20 98 20 - 4.6-7.2 HA GLU 37 - HB2 LYS 39 far 0 49 0 - 5.3-7.0 HA LEU 14 - HB3 LYS 90 far 0 73 0 - 5.5-7.9 HA GLU 88 - HB2 LYS 90 far 0 99 0 - 6.4-7.8 HA GLU 88 - HB3 LYS 90 far 0 75 0 - 7.5-8.0 HA LEU 42 - HB2 LYS 39 far 0 56 0 - 7.7-8.3 Violated in 0 structures by 0.00 A. Peak 3926 from cnoeabs.peaks (1.81, 1.81, 32.09 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 90 + HB2 LYS 90 OK 100 100 - 100 HB2 LYS 39 + HB2 LYS 39 OK 85 85 - 100 HB3 LYS 90 + HB3 LYS 90 OK 64 64 - 100 HB2 LYS 68 + HB2 LYS 68 OK 48 48 - 100 Peak 3927 from cnoeabs.peaks (1.83, 1.81, 32.09 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 LYS 90 + HB2 LYS 90 OK 90 90 - 100 HB3 LYS 90 + HB3 LYS 90 OK 78 78 - 100 HB2 LYS 68 + HB2 LYS 68 OK 65 65 - 100 HB2 LYS 39 + HB2 LYS 39 OK 54 54 - 100 Reference assignment not found: HB3 LYS 90 - HB2 LYS 90 Peak 3928 from cnoeabs.peaks (1.29, 1.81, 32.09 ppm; 3.61 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.2-3.0 2.8=100 HG2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.7-2.9 2.8=100 HB3 LEU 42 - HB2 LYS 39 far 0 84 0 - 6.6-7.5 HB3 LEU 42 - HB2 LYS 68 far 0 59 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3929 from cnoeabs.peaks (1.58, 1.81, 32.09 ppm; 3.62 A): 2 out of 19 assignments used, quality = 1.00: * HG3 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.2-2.9 2.8=100 HG3 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.2-2.8 2.8=100 HD3 LYS 94 - HB2 LYS 90 poor 10 97 30 34 3.9-9.2 3916/3.0=12, 7436/4.1=10...(7) HD3 LYS 94 - HB3 LYS 90 poor 10 72 40 34 3.2-7.6 3916/3.0=12, 7436/4.1=10...(9) HB2 ARG 79 - HB2 LYS 68 far 0 59 0 - 5.6-11.0 HG3 LYS 73 - HB2 LYS 39 far 0 85 0 - 5.7-9.7 HG LEU 103 - HB2 LYS 68 far 0 66 0 - 6.3-21.5 HG2 LYS 24 - HB3 LYS 90 far 0 78 0 - 6.5-10.6 HG2 ARG 19 - HB2 LYS 90 far 0 100 0 - 7.6-12.3 HB3 LEU 29 - HB3 LYS 90 far 0 74 0 - 7.7-10.1 HG2 ARG 19 - HB3 LYS 90 far 0 78 0 - 7.8-11.2 HG2 LYS 24 - HB2 LYS 90 far 0 100 0 - 7.8-12.2 HD2 LYS 66 - HB2 LYS 39 far 0 83 0 - 7.9-13.0 HB3 LEU 29 - HB2 LYS 90 far 0 98 0 - 8.0-11.4 HB2 LEU 103 - HB2 LYS 68 far 0 66 0 - 8.2-19.5 HG3 LYS 73 - HB2 LYS 68 far 0 60 0 - 8.2-11.4 HD2 LYS 66 - HB2 LYS 68 far 0 58 0 - 8.9-10.5 HD3 LYS 82 - HB2 LYS 68 far 0 57 0 - 9.0-11.5 HG LEU 27 - HB3 LYS 90 far 0 72 0 - 9.3-11.6 Violated in 0 structures by 0.00 A. Peak 3930 from cnoeabs.peaks (1.74, 1.81, 32.09 ppm; 3.27 A): 3 out of 20 assignments used, quality = 1.00: * HD2 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.1-3.5 3.6=73, 3917/3.0=39...(67) HD2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.0-4.2 3.6=73, 3917/3.0=39...(59) HB3 LEU 70 + HB2 LYS 39 OK 54 74 95 77 1.8-4.9 ~10822=14, 1.8/1684=14...(24) HB ILE 56 - HB2 LYS 68 far 0 51 0 - 5.0-8.5 HB2 LYS 66 - HB2 LYS 39 far 0 69 0 - 6.7-10.2 HD3 LYS 66 - HB2 LYS 39 far 0 50 0 - 7.1-11.7 HD2 LYS 13 - HB2 LYS 90 far 0 59 0 - 7.2-11.9 HD2 ARG 81 - HB2 LYS 68 far 0 60 0 - 7.3-10.9 HB2 LYS 66 - HB2 LYS 68 far 0 47 0 - 7.4-8.3 HD3 LYS 66 - HB2 LYS 68 far 0 33 0 - 7.5-9.2 HB3 GLU 63 - HB2 LYS 68 far 0 32 0 - 7.9-9.9 HD3 LYS 13 - HB2 LYS 90 far 0 63 0 - 7.9-12.5 HG3 ARG 19 - HB2 LYS 90 far 0 91 0 - 7.9-12.2 HB3 LYS 82 - HB2 LYS 68 far 0 49 0 - 8.2-11.7 HG3 ARG 19 - HB3 LYS 90 far 0 65 0 - 8.2-11.1 HD3 LYS 13 - HB3 LYS 90 far 0 43 0 - 8.3-14.1 HB3 LEU 70 - HB2 LYS 68 far 0 51 0 - 8.7-9.3 HD2 LYS 13 - HB3 LYS 90 far 0 40 0 - 8.8-13.5 HB ILE 15 - HB2 LYS 90 far 0 99 0 - 8.9-11.9 HB ILE 15 - HB3 LYS 90 far 0 75 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 3931 from cnoeabs.peaks (1.70, 1.81, 32.09 ppm; 3.77 A): 4 out of 35 assignments used, quality = 1.00: * HD3 LYS 90 + HB2 LYS 90 OK 100 100 100 100 1.9-4.0 3.6=100 HD3 LYS 90 + HB3 LYS 90 OK 78 78 100 100 2.9-3.9 3.6=100 HB3 LEU 70 + HB2 LYS 39 OK 71 80 100 89 1.8-4.9 ~10822=21, 1.8/1684=18...(25) HG LEU 70 + HB2 LYS 39 OK 66 91 80 90 4.0-7.1 ~10822=30, ~10569=21...(24) HG3 LYS 20 - HB3 LYS 90 poor 16 64 25 - 4.3-8.7 HG3 LYS 20 - HB2 LYS 90 far 13 90 15 - 4.8-8.2 HB3 LYS 40 - HB2 LYS 39 far 9 86 10 - 5.1-6.8 HD2 LYS 20 - HB2 LYS 90 far 5 93 5 - 5.3-9.6 HD2 LYS 73 - HB2 LYS 39 far 3 66 5 - 5.2-9.0 HD2 LYS 20 - HB3 LYS 90 far 0 68 0 - 5.3-8.5 HD3 LYS 20 - HB2 LYS 90 far 0 90 0 - 5.4-10.0 HB3 ARG 91 - HB2 LYS 90 far 0 97 0 - 5.5-7.4 HD3 LYS 20 - HB3 LYS 90 far 0 64 0 - 5.7-8.9 HD3 LYS 73 - HB2 LYS 39 far 0 63 0 - 5.8-8.8 HB3 ARG 91 - HB3 LYS 90 far 0 72 0 - 6.2-7.3 HG LEU 70 - HB2 LYS 68 far 0 66 0 - 6.5-7.9 HG2 PRO 86 - HB2 LYS 90 far 0 100 0 - 6.5-8.0 HD3 LYS 66 - HB2 LYS 39 far 0 90 0 - 7.1-11.7 HD3 LYS 24 - HB3 LYS 90 far 0 78 0 - 7.1-11.6 HD2 LYS 13 - HB2 LYS 90 far 0 100 0 - 7.2-11.9 HG2 PRO 86 - HB3 LYS 90 far 0 78 0 - 7.2-8.6 HD2 ARG 81 - HB2 LYS 68 far 0 45 0 - 7.3-10.9 HD3 LYS 66 - HB2 LYS 68 far 0 65 0 - 7.5-9.2 HD3 LYS 13 - HB2 LYS 90 far 0 100 0 - 7.9-12.5 HD3 LYS 13 - HB3 LYS 90 far 0 77 0 - 8.3-14.1 HD2 LYS 24 - HB3 LYS 90 far 0 78 0 - 8.3-11.8 HD3 LYS 24 - HB2 LYS 90 far 0 100 0 - 8.6-13.3 HG12 ILE 15 - HB2 LYS 90 far 0 100 0 - 8.6-11.2 HB3 LEU 70 - HB2 LYS 68 far 0 56 0 - 8.7-9.3 HD2 LYS 13 - HB3 LYS 90 far 0 78 0 - 8.8-13.5 HB ILE 15 - HB2 LYS 90 far 0 71 0 - 8.9-11.9 HG12 ILE 15 - HB3 LYS 90 far 0 78 0 - 9.1-11.3 HB ILE 15 - HB3 LYS 90 far 0 49 0 - 9.3-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 45 0 - 9.4-12.1 HD2 LYS 24 - HB2 LYS 90 far 0 100 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 3932 from cnoeabs.peaks (2.81, 1.81, 32.09 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HB2 LYS 90 OK 100 100 100 100 2.9-4.2 4.8=100 HE2 LYS 90 + HB3 LYS 90 OK 78 78 100 100 3.3-4.4 4.8=100 Violated in 0 structures by 0.00 A. Peak 3933 from cnoeabs.peaks (2.94, 1.81, 32.09 ppm; 4.05 A): 6 out of 27 assignments used, quality = 1.00: * HE3 LYS 90 + HB2 LYS 90 OK 100 100 100 100 3.8-4.4 4005/2.8=69, 4.8=59...(47) HG2 MET 21 + HB2 LYS 90 OK 99 100 100 100 1.8-5.5 3920/3.0=63, 8556=34...(31) HE3 LYS 90 + HB3 LYS 90 OK 78 78 100 100 3.6-4.8 4005/2.8=69, 4.8=59...(41) HG2 MET 21 + HB3 LYS 90 OK 77 78 100 99 1.7-4.3 3920/3.0=63, 8556=28...(31) HE2 LYS 68 + HB2 LYS 68 OK 48 48 100 100 3.1-4.5 5.0=53, 4256/2.9=15...(87) HE3 LYS 68 + HB2 LYS 68 OK 46 46 100 100 2.6-4.3 5.0=53, 4256/2.9=15...(87) HE2 LYS 94 - HB2 LYS 90 poor 19 96 20 - 4.3-9.3 HE3 LYS 94 - HB3 LYS 90 poor 15 60 25 - 4.9-8.0 HE3 LYS 94 - HB2 LYS 90 far 13 85 15 - 5.3-9.7 HE2 LYS 94 - HB3 LYS 90 poor 5 71 30 22 4.7-8.2 ~3916=6, ~12322=5...(7) HE2 LYS 73 - HB2 LYS 39 far 4 84 5 - 5.5-10.1 HE3 LYS 66 - HB2 LYS 39 far 0 56 0 - 5.6-11.5 HE2 LYS 20 - HB3 LYS 90 far 0 62 0 - 6.1-10.1 HE2 LYS 20 - HB2 LYS 90 far 0 87 0 - 6.2-11.4 HE3 LYS 73 - HB2 LYS 39 far 0 88 0 - 6.3-10.3 HE3 LYS 20 - HB2 LYS 90 far 0 88 0 - 6.3-10.5 HE3 LYS 20 - HB3 LYS 90 far 0 63 0 - 6.8-9.1 HE2 LYS 24 - HB3 LYS 90 far 0 59 0 - 7.0-11.9 HE3 LYS 24 - HB3 LYS 90 far 0 59 0 - 7.1-11.6 HE3 LYS 66 - HB2 LYS 68 far 0 37 0 - 7.2-10.6 HE3 LYS 13 - HB2 LYS 90 far 0 90 0 - 7.9-12.6 HE2 LYS 24 - HB2 LYS 90 far 0 84 0 - 8.0-13.5 HE3 LYS 24 - HB2 LYS 90 far 0 84 0 - 8.4-13.0 HE2 LYS 13 - HB2 LYS 90 far 0 87 0 - 8.4-11.7 HE3 LYS 73 - HB2 LYS 68 far 0 63 0 - 8.8-12.2 HE3 LYS 13 - HB3 LYS 90 far 0 64 0 - 9.3-14.1 HE2 LYS 13 - HB3 LYS 90 far 0 62 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3934 from cnoeabs.peaks (7.47, 1.81, 32.09 ppm; 4.03 A): 3 out of 6 assignments used, quality = 1.00: * H ARG 91 + HB2 LYS 90 OK 100 100 100 100 2.5-4.1 4.1=93, 7435/2.8=57...(25) H ARG 91 + HB3 LYS 90 OK 78 78 100 100 3.5-4.2 4.1=93, 7435/2.8=57...(21) HE22 GLN 72 + HB2 LYS 68 OK 29 45 75 87 3.3-7.9 ~9563=24, ~12325=16...(21) HE ARG 46 - HB2 LYS 39 far 0 91 0 - 8.1-11.8 HE ARG 19 - HB2 LYS 90 far 0 94 0 - 9.3-14.3 HE3 TRP 92 - HB2 LYS 90 far 0 59 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 3935 from cnoeabs.peaks (8.05, 1.83, 32.09 ppm; 3.45 A): 3 out of 12 assignments used, quality = 1.00: * H LYS 90 + HB3 LYS 90 OK 100 100 100 100 2.9-3.6 4.1=61, 7419/2.8=56...(18) H LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.1-3.5 4.1=61, 7419/2.8=56...(23) H LYS 39 + HB3 LYS 39 OK 29 31 100 92 3.2-3.6 4.0=62, 6604/1.8=41...(13) H GLU 17 - HB2 LYS 90 far 10 70 15 - 4.9-8.3 H GLU 17 - HB3 LYS 90 far 0 95 0 - 5.3-7.9 H GLU 16 - HB2 LYS 90 far 0 53 0 - 7.0-10.2 H GLU 75 - HB3 LYS 39 far 0 40 0 - 7.3-9.0 H ILE 15 - HB2 LYS 90 far 0 56 0 - 7.4-10.1 H GLU 16 - HB3 LYS 90 far 0 77 0 - 7.4-10.0 H ILE 15 - HB3 LYS 90 far 0 81 0 - 7.9-10.3 H ARG 46 - HB3 LYS 39 far 0 47 0 - 8.3-9.8 H LYS 13 - HB2 LYS 90 far 0 55 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 3936 from cnoeabs.peaks (3.67, 1.83, 32.09 ppm; 3.75 A): 3 out of 10 assignments used, quality = 1.00: * HA LYS 90 + HB3 LYS 90 OK 100 100 100 100 2.2-2.6 3.0=100 HB THR 80 + HB2 LYS 68 OK 87 97 90 100 2.4-5.6 2.1/10259=38...(23) HA LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.3-3.0 3.0=100 HA LEU 14 - HB2 LYS 90 poor 15 73 20 - 4.6-7.2 HA LEU 14 - HB3 LYS 90 far 0 98 0 - 5.5-7.9 HA GLU 88 - HB2 LYS 90 far 0 75 0 - 6.4-7.8 HA GLU 37 - HB3 LYS 39 far 0 29 0 - 6.7-7.6 HA LEU 42 - HB3 LYS 39 far 0 34 0 - 6.9-7.6 HB THR 80 - HB3 LYS 66 far 0 34 0 - 7.3-8.6 HA GLU 88 - HB3 LYS 90 far 0 99 0 - 7.5-8.0 Violated in 0 structures by 0.00 A. Peak 3937 from cnoeabs.peaks (1.81, 1.83, 32.09 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LYS 90 + HB3 LYS 90 OK 90 90 - 100 HB2 LYS 68 + HB2 LYS 68 OK 80 80 - 100 HB2 LYS 90 + HB2 LYS 90 OK 78 78 - 100 Reference assignment not found: HB2 LYS 90 - HB3 LYS 90 Peak 3938 from cnoeabs.peaks (1.83, 1.83, 32.09 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + HB3 LYS 90 OK 100 100 - 100 HB2 LYS 68 + HB2 LYS 68 OK 98 98 - 100 HB2 LYS 90 + HB2 LYS 90 OK 64 64 - 100 HB3 LYS 39 + HB3 LYS 39 OK 42 42 - 100 HB3 LYS 66 + HB3 LYS 66 OK 25 25 - 100 Peak 3939 from cnoeabs.peaks (1.29, 1.83, 32.09 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 90 + HB3 LYS 90 OK 100 100 100 100 2.7-2.9 2.8=100 HG2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.2-3.0 2.8=100 HB3 LEU 42 - HB3 LYS 39 far 0 54 0 - 5.8-6.7 HB3 LEU 42 - HB2 LYS 68 far 0 93 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 3940 from cnoeabs.peaks (1.58, 1.83, 32.09 ppm; 3.39 A): 3 out of 23 assignments used, quality = 1.00: * HG3 LYS 90 + HB3 LYS 90 OK 100 100 100 100 2.2-2.8 2.8=100 HG3 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.2-2.9 2.8=100 HD2 LYS 66 + HB3 LYS 66 OK 31 31 100 100 4.1-4.2 3.6=82, ~2943=43...(42) HD3 LYS 94 - HB2 LYS 90 poor 14 72 20 - 3.9-9.2 HD3 LYS 94 - HB3 LYS 90 poor 8 97 30 29 3.2-7.6 3916/3.0=10, 7436/4.1=9...(5) HB2 ARG 79 - HB2 LYS 68 far 0 93 0 - 5.6-11.0 HG3 LYS 73 - HB3 LYS 39 far 0 55 0 - 6.1-9.1 HG LEU 103 - HB2 LYS 68 far 0 99 0 - 6.3-21.5 HG2 LYS 24 - HB3 LYS 90 far 0 100 0 - 6.5-10.6 HG2 ARG 19 - HB2 LYS 90 far 0 78 0 - 7.6-12.3 HB3 LEU 29 - HB3 LYS 90 far 0 98 0 - 7.7-10.1 HG2 ARG 19 - HB3 LYS 90 far 0 100 0 - 7.8-11.2 HG2 LYS 24 - HB2 LYS 90 far 0 78 0 - 7.8-12.2 HB3 LEU 29 - HB2 LYS 90 far 0 74 0 - 8.0-11.4 HB2 LEU 103 - HB2 LYS 68 far 0 99 0 - 8.2-19.5 HG3 LYS 73 - HB2 LYS 68 far 0 94 0 - 8.2-11.4 HD2 LYS 66 - HB2 LYS 68 far 0 92 0 - 8.9-10.5 HD3 LYS 82 - HB2 LYS 68 far 0 91 0 - 9.0-11.5 HD2 LYS 66 - HB3 LYS 39 far 0 53 0 - 9.2-13.8 HG3 LYS 47 - HB3 LYS 39 far 0 30 0 - 9.2-14.1 HD3 LYS 82 - HB3 LYS 66 far 0 30 0 - 9.2-10.8 HG LEU 27 - HB3 LYS 90 far 0 97 0 - 9.3-11.6 HG3 LYS 73 - HB3 LYS 66 far 0 32 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3941 from cnoeabs.peaks (1.74, 1.83, 32.09 ppm; 3.04 A): 4 out of 23 assignments used, quality = 1.00: * HD2 LYS 90 + HB3 LYS 90 OK 99 100 100 99 2.0-4.2 3.6=59, 3917/3.0=33...(58) HD2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.1-3.5 3.6=59, 3917/3.0=33...(65) HB3 LEU 70 + HB3 LYS 39 OK 25 46 90 60 2.0-4.6 ~10822=12, ~1670=10...(17) HB2 LYS 66 + HB3 LYS 66 OK 25 25 100 100 1.8-1.8 1.8=100 HB ILE 56 - HB2 LYS 68 far 0 83 0 - 5.0-8.5 HB3 LEU 70 - HB3 LYS 66 far 0 27 0 - 6.6-8.4 HD2 LYS 13 - HB2 LYS 90 far 0 40 0 - 7.2-11.9 HD2 ARG 81 - HB2 LYS 68 far 0 94 0 - 7.3-10.9 HB2 LYS 66 - HB2 LYS 68 far 0 79 0 - 7.4-8.3 HD3 LYS 66 - HB2 LYS 68 far 0 58 0 - 7.5-9.2 HB ILE 56 - HB3 LYS 66 far 0 27 0 - 7.6-8.8 HB2 LYS 66 - HB3 LYS 39 far 0 43 0 - 7.9-11.0 HB3 GLU 63 - HB2 LYS 68 far 0 56 0 - 7.9-9.9 HD3 LYS 13 - HB2 LYS 90 far 0 43 0 - 7.9-12.5 HG3 ARG 19 - HB2 LYS 90 far 0 65 0 - 7.9-12.2 HB3 LYS 82 - HB2 LYS 68 far 0 82 0 - 8.2-11.7 HG3 ARG 19 - HB3 LYS 90 far 0 91 0 - 8.2-11.1 HD3 LYS 13 - HB3 LYS 90 far 0 63 0 - 8.3-14.1 HD3 LYS 66 - HB3 LYS 39 far 0 30 0 - 8.3-12.4 HB3 LEU 70 - HB2 LYS 68 far 0 83 0 - 8.7-9.3 HD2 LYS 13 - HB3 LYS 90 far 0 59 0 - 8.8-13.5 HB ILE 15 - HB2 LYS 90 far 0 75 0 - 8.9-11.9 HB ILE 15 - HB3 LYS 90 far 0 99 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 3942 from cnoeabs.peaks (1.70, 1.83, 32.09 ppm; 3.03 A): 4 out of 42 assignments used, quality = 1.00: * HD3 LYS 90 + HB3 LYS 90 OK 99 100 100 99 2.9-3.9 3.6=59, 3981/1.8=33...(47) HD3 LYS 90 + HB2 LYS 90 OK 78 78 100 99 1.9-4.0 3.6=59, 3981/1.8=29...(52) HD3 LYS 66 + HB3 LYS 66 OK 35 35 100 99 3.5-3.7 3.6=59, 2943/1.8=53...(39) HB3 LEU 70 + HB3 LYS 39 OK 28 51 90 60 2.0-4.6 ~10822=12, ~1670=9...(17) HG LEU 70 - HB3 LYS 66 far 5 36 15 - 4.2-5.6 HG3 LYS 20 - HB3 LYS 90 far 4 90 5 - 4.3-8.7 HG LEU 70 - HB3 LYS 39 far 0 60 0 - 4.6-7.3 HG3 LYS 20 - HB2 LYS 90 far 0 64 0 - 4.8-8.2 HD2 LYS 20 - HB2 LYS 90 far 0 68 0 - 5.3-9.6 HD2 LYS 20 - HB3 LYS 90 far 0 93 0 - 5.3-8.5 HD3 LYS 20 - HB2 LYS 90 far 0 64 0 - 5.4-10.0 HD2 LYS 73 - HB3 LYS 39 far 0 41 0 - 5.4-8.3 HB3 ARG 91 - HB2 LYS 90 far 0 72 0 - 5.5-7.4 HD3 LYS 20 - HB3 LYS 90 far 0 90 0 - 5.7-8.9 HD3 LYS 73 - HB3 LYS 39 far 0 38 0 - 5.9-8.3 HB3 LYS 40 - HB3 LYS 39 far 0 56 0 - 5.9-6.8 HB3 ARG 91 - HB3 LYS 90 far 0 97 0 - 6.2-7.3 HG LEU 70 - HB2 LYS 68 far 0 99 0 - 6.5-7.9 HG2 PRO 86 - HB2 LYS 90 far 0 78 0 - 6.5-8.0 HB3 LEU 70 - HB3 LYS 66 far 0 30 0 - 6.6-8.4 HD3 LYS 24 - HB3 LYS 90 far 0 100 0 - 7.1-11.6 HD2 LYS 13 - HB2 LYS 90 far 0 78 0 - 7.2-11.9 HG2 PRO 86 - HB3 LYS 90 far 0 100 0 - 7.2-8.6 HD2 ARG 81 - HB2 LYS 68 far 0 75 0 - 7.3-10.9 HD3 LYS 66 - HB2 LYS 68 far 0 98 0 - 7.5-9.2 HD3 LYS 13 - HB2 LYS 90 far 0 77 0 - 7.9-12.5 HD3 LYS 13 - HB3 LYS 90 far 0 100 0 - 8.3-14.1 HD2 LYS 24 - HB3 LYS 90 far 0 100 0 - 8.3-11.8 HD3 LYS 66 - HB3 LYS 39 far 0 60 0 - 8.3-12.4 HD3 LYS 24 - HB2 LYS 90 far 0 78 0 - 8.6-13.3 HG12 ILE 15 - HB2 LYS 90 far 0 78 0 - 8.6-11.2 HB3 LEU 70 - HB2 LYS 68 far 0 90 0 - 8.7-9.3 HD2 LYS 13 - HB3 LYS 90 far 0 100 0 - 8.8-13.5 HB ILE 15 - HB2 LYS 90 far 0 49 0 - 8.9-11.9 HD2 LYS 73 - HB3 LYS 66 far 0 23 0 - 9.0-12.2 HG12 ILE 15 - HB3 LYS 90 far 0 100 0 - 9.1-11.3 HD3 LYS 47 - HB3 LYS 39 far 0 55 0 - 9.1-14.0 HD2 LYS 47 - HB3 LYS 39 far 0 54 0 - 9.2-14.3 HB ILE 15 - HB3 LYS 90 far 0 71 0 - 9.3-11.8 HD2 LYS 73 - HB2 LYS 68 far 0 75 0 - 9.4-12.1 HD2 LYS 24 - HB2 LYS 90 far 0 78 0 - 9.6-13.4 HD3 LYS 73 - HB3 LYS 66 far 0 22 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 3943 from cnoeabs.peaks (2.81, 1.83, 32.09 ppm; 5.23 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HB3 LYS 90 OK 100 100 100 100 3.3-4.4 4.8=100 HE2 LYS 90 + HB2 LYS 90 OK 78 78 100 100 2.9-4.2 4.8=100 Violated in 0 structures by 0.00 A. Peak 3944 from cnoeabs.peaks (2.94, 1.83, 32.09 ppm; 3.89 A): 6 out of 32 assignments used, quality = 1.00: * HE3 LYS 90 + HB3 LYS 90 OK 100 100 100 100 3.6-4.8 4005/2.8=64, 4.8=52...(39) HG2 MET 21 + HB3 LYS 90 OK 99 100 100 99 1.7-4.3 3920/3.0=58, 8556/1.8=25...(31) HE2 LYS 68 + HB2 LYS 68 OK 80 80 100 100 3.1-4.5 5.0=47, 3.0/3004=17...(87) HE3 LYS 90 + HB2 LYS 90 OK 78 78 100 100 3.8-4.4 4005/2.8=64, 4.8=52...(47) HE3 LYS 68 + HB2 LYS 68 OK 77 77 100 100 2.6-4.3 5.0=47, 3.0/3004=17...(87) HG2 MET 21 + HB2 LYS 90 OK 73 78 95 99 1.8-5.5 3920/3.0=58, 3955/2.8=23...(31) HE2 LYS 94 - HB2 LYS 90 poor 14 71 20 - 4.3-9.3 HE3 LYS 94 - HB3 LYS 90 far 13 85 15 - 4.9-8.0 HE3 LYS 94 - HB2 LYS 90 far 6 60 10 - 5.3-9.7 HE2 LYS 94 - HB3 LYS 90 poor 5 96 25 21 4.7-8.2 ~3916=6, 997/10309=5...(6) HE3 LYS 73 - HB3 LYS 39 far 3 58 5 - 5.3-9.9 HE2 LYS 73 - HB3 LYS 39 far 3 55 5 - 4.8-10.0 HE2 LYS 20 - HB3 LYS 90 far 0 87 0 - 6.1-10.1 HE2 LYS 20 - HB2 LYS 90 far 0 62 0 - 6.2-11.4 HE3 LYS 20 - HB2 LYS 90 far 0 63 0 - 6.3-10.5 HE3 LYS 66 - HB3 LYS 39 far 0 34 0 - 6.5-12.1 HE3 LYS 20 - HB3 LYS 90 far 0 88 0 - 6.8-9.1 HE2 LYS 24 - HB3 LYS 90 far 0 84 0 - 7.0-11.9 HE3 LYS 24 - HB3 LYS 90 far 0 84 0 - 7.1-11.6 HE3 LYS 66 - HB2 LYS 68 far 0 64 0 - 7.2-10.6 HE3 LYS 68 - HB3 LYS 66 far 0 24 0 - 7.6-10.4 HE2 LYS 68 - HB3 LYS 66 far 0 25 0 - 7.7-11.0 HE3 LYS 13 - HB2 LYS 90 far 0 64 0 - 7.9-12.6 HE2 LYS 24 - HB2 LYS 90 far 0 59 0 - 8.0-13.5 HE3 LYS 24 - HB2 LYS 90 far 0 59 0 - 8.4-13.0 HE2 LYS 13 - HB2 LYS 90 far 0 62 0 - 8.4-11.7 HE3 LYS 73 - HB2 LYS 68 far 0 97 0 - 8.8-12.2 HB3 PHE 45 - HB3 LYS 39 far 0 38 0 - 9.1-11.9 HE3 LYS 13 - HB3 LYS 90 far 0 90 0 - 9.3-14.1 HE2 LYS 73 - HB3 LYS 66 far 0 32 0 - 9.5-13.5 HE3 LYS 73 - HB3 LYS 66 far 0 34 0 - 9.6-13.0 HE2 LYS 13 - HB3 LYS 90 far 0 87 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 3945 from cnoeabs.peaks (7.47, 1.83, 32.09 ppm; 4.14 A): 3 out of 8 assignments used, quality = 1.00: * H ARG 91 + HB3 LYS 90 OK 100 100 100 100 3.5-4.2 4.1=100 H ARG 91 + HB2 LYS 90 OK 78 78 100 100 2.5-4.1 4.1=100 HE22 GLN 72 + HB2 LYS 68 OK 51 75 75 90 3.3-7.9 ~9563=26, ~12325=17...(21) HE ARG 46 - HB3 LYS 39 far 0 61 0 - 6.4-10.8 HE ARG 19 - HB2 LYS 90 far 0 69 0 - 9.3-14.3 HE3 TRP 92 - HB2 LYS 90 far 0 40 0 - 9.4-10.2 HE22 GLN 72 - HB3 LYS 66 far 0 23 0 - 9.8-12.5 H LYS 47 - HB3 LYS 39 far 0 60 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3946 from cnoeabs.peaks (8.05, 1.29, 25.29 ppm; 4.34 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 90 + HG2 LYS 90 OK 100 100 100 100 1.6-3.8 7419=100, 7420/1.8=94...(25) H GLU 17 + HG2 LYS 90 OK 26 95 40 68 5.0-8.0 6256/10310=31...(11) H GLU 16 - HG2 LYS 90 far 0 77 0 - 6.8-10.3 H ILE 15 - HG2 LYS 90 far 0 81 0 - 6.8-10.8 H LYS 13 - HG2 LYS 90 far 0 79 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 3947 from cnoeabs.peaks (3.67, 1.29, 25.29 ppm; 4.02 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.6-4.0 4.0=100 HA LEU 14 + HG2 LYS 90 OK 35 98 55 65 4.5-8.1 3958/1.8=22...(12) HA GLU 88 - HG2 LYS 90 poor 19 99 35 56 5.1-7.3 7428/7435=24...(9) Violated in 0 structures by 0.00 A. Peak 3948 from cnoeabs.peaks (1.81, 1.29, 25.29 ppm; 3.61 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.2-3.0 2.8=100 HB3 LYS 90 + HG2 LYS 90 OK 90 90 100 100 2.7-2.9 2.8=100 HB ILE 93 - HG2 LYS 90 poor 17 99 25 68 4.5-6.7 4129/3915=40...(12) HB2 GLU 88 - HG2 LYS 90 far 0 100 0 - 6.8-8.8 HB3 LEU 57 - HG2 LYS 90 far 0 98 0 - 7.0-10.1 HB2 GLU 104 - HG2 LYS 90 far 0 100 0 - 9.8-22.6 Violated in 0 structures by 0.00 A. Peak 3949 from cnoeabs.peaks (1.83, 1.29, 25.29 ppm; 3.86 A): 3 out of 7 assignments used, quality = 1.00: * HB3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.7-2.9 2.8=100 HB2 LYS 90 + HG2 LYS 90 OK 90 90 100 100 2.2-3.0 2.8=100 HB ILE 93 + HG2 LYS 90 OK 22 75 45 66 4.5-6.7 4129/3915=31, ~10853=10...(13) HB2 GLU 88 - HG2 LYS 90 far 0 85 0 - 6.8-8.8 HB3 LEU 57 - HG2 LYS 90 far 0 99 0 - 7.0-10.1 HB VAL 5 - HG2 LYS 90 far 0 82 0 - 8.6-11.4 HB2 GLU 104 - HG2 LYS 90 far 0 85 0 - 9.8-22.6 Violated in 0 structures by 0.00 A. Peak 3950 from cnoeabs.peaks (1.29, 1.29, 25.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + HG2 LYS 90 OK 100 100 - 100 Peak 3951 from cnoeabs.peaks (1.58, 1.29, 25.29 ppm; 3.08 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 LYS 94 - HG2 LYS 90 far 10 97 10 - 3.0-8.7 HG2 ARG 19 - HG2 LYS 90 far 0 100 0 - 7.5-12.7 HB3 LEU 29 - HG2 LYS 90 far 0 98 0 - 7.9-10.8 HG2 LYS 24 - HG2 LYS 90 far 0 100 0 - 8.2-13.0 Violated in 0 structures by 0.00 A. Peak 3952 from cnoeabs.peaks (1.74, 1.29, 25.29 ppm; 3.58 A): 1 out of 5 assignments used, quality = 1.00: * HD2 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 13 - HG2 LYS 90 far 0 63 0 - 6.5-13.5 HD2 LYS 13 - HG2 LYS 90 far 0 59 0 - 7.2-13.0 HG3 ARG 19 - HG2 LYS 90 far 0 91 0 - 7.6-11.9 HB ILE 15 - HG2 LYS 90 far 0 99 0 - 8.4-12.3 Violated in 0 structures by 0.00 A. Peak 3953 from cnoeabs.peaks (1.70, 1.29, 25.29 ppm; 3.57 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.2-3.0 2.9=100 HB3 ARG 91 + HG2 LYS 90 OK 24 97 30 84 3.9-7.8 3.9/7435=35, 3983=17...(32) HG2 PRO 86 - HG2 LYS 90 far 0 100 0 - 5.4-8.8 HG3 LYS 20 - HG2 LYS 90 far 0 90 0 - 5.6-10.9 HD3 LYS 20 - HG2 LYS 90 far 0 90 0 - 6.1-10.9 HD3 LYS 13 - HG2 LYS 90 far 0 100 0 - 6.5-13.5 HD2 LYS 20 - HG2 LYS 90 far 0 93 0 - 6.7-9.8 HD2 LYS 13 - HG2 LYS 90 far 0 100 0 - 7.2-13.0 HG12 ILE 15 - HG2 LYS 90 far 0 100 0 - 7.8-11.9 HD3 LYS 24 - HG2 LYS 90 far 0 100 0 - 8.0-13.6 HB ILE 15 - HG2 LYS 90 far 0 71 0 - 8.4-12.3 HD2 LYS 24 - HG2 LYS 90 far 0 100 0 - 9.3-13.8 Violated in 0 structures by 0.00 A. Peak 3954 from cnoeabs.peaks (2.81, 1.29, 25.29 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.7-4.0 3.8=100 Violated in 0 structures by 0.00 A. Peak 3955 from cnoeabs.peaks (2.94, 1.29, 25.29 ppm; 4.55 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 90 + HG2 LYS 90 OK 100 100 100 100 2.2-3.9 3.8=100 HG2 MET 21 + HG2 LYS 90 OK 94 100 95 99 2.1-6.5 3920/3915=67...(25) HE2 LYS 94 - HG2 LYS 90 far 14 96 15 - 4.2-9.4 HE3 LYS 94 - HG2 LYS 90 far 13 85 15 - 4.9-9.2 HE2 LYS 20 - HG2 LYS 90 far 0 87 0 - 6.7-11.3 HE2 LYS 13 - HG2 LYS 90 far 0 87 0 - 7.4-11.9 HE3 LYS 20 - HG2 LYS 90 far 0 88 0 - 7.9-11.0 HE3 LYS 13 - HG2 LYS 90 far 0 90 0 - 8.3-13.4 HE2 LYS 24 - HG2 LYS 90 far 0 84 0 - 9.6-14.1 HE3 LYS 24 - HG2 LYS 90 far 0 84 0 - 9.8-13.9 Violated in 0 structures by 0.00 A. Peak 3956 from cnoeabs.peaks (7.47, 1.29, 25.29 ppm; 5.93 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + HG2 LYS 90 OK 100 100 100 100 1.8-4.3 7435=100, 7431/7419=99...(25) HE3 TRP 92 - HG2 LYS 90 far 0 59 0 - 8.8-10.3 HZ2 TRP 92 - HG2 LYS 90 far 0 91 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 3957 from cnoeabs.peaks (8.05, 1.58, 25.29 ppm; 4.02 A): 3 out of 12 assignments used, quality = 1.00: * H LYS 90 + HG3 LYS 90 OK 100 100 100 100 1.9-4.4 7420=100, 7419/1.8=90...(27) H LYS 13 + HG3 LYS 12 OK 47 51 100 93 3.1-4.6 4.6/6155=42, 6168=35...(13) H GLU 17 + HG3 LYS 90 OK 33 95 45 77 4.7-7.6 4.0/12027=37...(11) H ILE 15 - HG3 LYS 12 far 3 52 5 - 5.5-7.1 H GLU 16 - HG3 LYS 12 far 2 50 5 - 4.4-7.3 H GLU 75 - HG3 LYS 73 far 0 46 0 - 5.6-6.2 H GLU 17 - HG3 LYS 12 far 0 65 0 - 6.0-9.6 H GLU 16 - HG3 LYS 90 far 0 77 0 - 6.9-10.0 H ILE 15 - HG3 LYS 90 far 0 81 0 - 7.4-10.8 H LYS 39 - HG3 LYS 73 far 0 36 0 - 8.0-11.0 H LYS 13 - HG3 LYS 90 far 0 79 0 - 9.7-13.3 H LYS 90 - HG2 LYS 24 far 0 79 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 3958 from cnoeabs.peaks (3.67, 1.58, 25.29 ppm; 4.48 A): 2 out of 5 assignments used, quality = 1.00: * HA LYS 90 + HG3 LYS 90 OK 100 100 100 100 3.3-4.1 4.0=100 HA LEU 14 + HG3 LYS 90 OK 53 98 70 78 4.4-8.2 593/12029=26...(12) HA GLU 88 - HG3 LYS 90 far 10 99 10 - 5.2-8.6 HA LEU 14 - HG3 LYS 12 far 0 69 0 - 7.0-9.7 HA LYS 90 - HG2 LYS 24 far 0 79 0 - 7.8-11.5 Violated in 0 structures by 0.00 A. Peak 3959 from cnoeabs.peaks (1.81, 1.58, 25.29 ppm; 3.55 A): 2 out of 12 assignments used, quality = 1.00: * HB2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.2-2.9 2.8=100 HB3 LYS 90 + HG3 LYS 90 OK 90 90 100 100 2.2-2.8 2.8=100 HB ILE 93 - HG3 LYS 90 far 0 99 0 - 5.3-6.6 HB2 LYS 39 - HG3 LYS 73 far 0 63 0 - 5.7-9.7 HB2 GLU 88 - HG3 LYS 90 far 0 100 0 - 6.2-10.1 HB3 LYS 90 - HG2 LYS 24 far 0 65 0 - 6.5-10.6 HB ILE 93 - HG2 LYS 24 far 0 76 0 - 7.7-10.3 HB2 LYS 90 - HG2 LYS 24 far 0 79 0 - 7.8-12.2 HB2 LEU 42 - HG3 LYS 73 far 0 68 0 - 8.1-11.1 HB2 LYS 68 - HG3 LYS 73 far 0 51 0 - 8.2-11.4 HB3 LEU 57 - HG3 LYS 90 far 0 98 0 - 8.5-10.8 HG3 ARG 46 - HG3 LYS 73 far 0 52 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 3960 from cnoeabs.peaks (1.83, 1.58, 25.29 ppm; 3.55 A): 4 out of 17 assignments used, quality = 1.00: * HB3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.2-2.8 2.8=100 HB2 LYS 90 + HG3 LYS 90 OK 90 90 100 100 2.2-2.9 2.8=100 HB2 LYS 12 + HG3 LYS 12 OK 50 50 100 100 2.6-3.0 3.0=100 HB3 LYS 12 + HG3 LYS 12 OK 47 47 100 100 2.2-2.6 3.0=100 HB ILE 93 - HG3 LYS 90 far 0 75 0 - 5.3-6.6 HB2 LYS 39 - HG3 LYS 73 far 0 38 0 - 5.7-9.7 HB3 LYS 39 - HG3 LYS 73 far 0 48 0 - 6.1-9.1 HB2 GLU 88 - HG3 LYS 90 far 0 85 0 - 6.2-10.1 HB3 LYS 90 - HG2 LYS 24 far 0 79 0 - 6.5-10.6 HB ILE 93 - HG2 LYS 24 far 0 52 0 - 7.7-10.3 HB2 LYS 90 - HG2 LYS 24 far 0 65 0 - 7.8-12.2 HB2 LEU 42 - HG3 LYS 73 far 0 50 0 - 8.1-11.1 HB2 LYS 68 - HG3 LYS 73 far 0 68 0 - 8.2-11.4 HB3 LYS 68 - HG3 LYS 73 far 0 36 0 - 8.5-11.0 HB3 LEU 57 - HG3 LYS 90 far 0 99 0 - 8.5-10.8 HB VAL 5 - HG3 LYS 90 far 0 82 0 - 9.5-11.4 HB3 LYS 66 - HG3 LYS 73 far 0 50 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 3961 from cnoeabs.peaks (1.29, 1.58, 25.29 ppm; 3.13 A): 1 out of 3 assignments used, quality = 1.00: * HG2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 90 - HG2 LYS 24 far 0 79 0 - 8.2-13.0 HB3 LEU 42 - HG3 LYS 73 far 0 62 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 3962 from cnoeabs.peaks (1.58, 1.58, 25.29 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 LYS 90 + HG3 LYS 90 OK 100 100 - 100 HG2 LYS 24 + HG2 LYS 24 OK 79 79 - 100 HG3 LYS 12 + HG3 LYS 12 OK 71 71 - 100 HG3 LYS 73 + HG3 LYS 73 OK 63 63 - 100 Peak 3963 from cnoeabs.peaks (1.74, 1.58, 25.29 ppm; 3.25 A): 3 out of 18 assignments used, quality = 1.00: * HD2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.7-3.0 2.9=100 HD3 LYS 12 + HG3 LYS 12 OK 37 37 100 100 2.2-2.7 3.0=100 HD2 LYS 12 + HG3 LYS 12 OK 37 37 100 100 2.6-3.0 3.0=100 HB3 LEU 70 - HG3 LYS 73 poor 16 53 30 - 4.3-6.8 HB ILE 15 - HG3 LYS 12 far 0 71 0 - 4.8-6.1 HD2 LYS 13 - HG3 LYS 12 far 0 37 0 - 5.7-8.8 HD3 LYS 13 - HG3 LYS 12 far 0 40 0 - 6.1-8.9 HD3 LYS 13 - HG3 LYS 90 far 0 63 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 59 0 - 6.9-13.4 HG3 ARG 19 - HG3 LYS 90 far 0 91 0 - 8.0-11.9 HD3 LYS 66 - HG3 LYS 73 far 0 35 0 - 8.2-12.3 HD2 LYS 90 - HG2 LYS 24 far 0 79 0 - 8.6-14.1 HB ILE 15 - HG3 LYS 90 far 0 99 0 - 8.9-12.2 HB2 LYS 66 - HG3 LYS 73 far 0 50 0 - 9.0-12.0 HD2 LYS 33 - HG3 LYS 12 far 0 67 0 - 9.0-12.5 HG3 ARG 19 - HG3 LYS 12 far 0 61 0 - 9.4-13.1 HD3 LYS 33 - HG3 LYS 12 far 0 67 0 - 9.9-13.3 HG3 ARG 19 - HG2 LYS 24 far 0 66 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 3964 from cnoeabs.peaks (1.70, 1.58, 25.29 ppm; 2.97 A): 7 out of 33 assignments used, quality = 1.00: * HD3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.2-3.0 2.9=100 HD3 LYS 24 + HG2 LYS 24 OK 79 79 100 100 2.2-2.9 3.0=100 HD2 LYS 24 + HG2 LYS 24 OK 79 79 100 100 2.2-3.0 3.0=100 HD3 LYS 12 + HG3 LYS 12 OK 73 73 100 100 2.2-2.7 3.0=99, 3.0/464=36...(55) HD2 LYS 12 + HG3 LYS 12 OK 73 73 100 100 2.6-3.0 3.0=99, 3.0/464=36...(56) HD2 LYS 73 + HG3 LYS 73 OK 47 47 100 100 2.3-3.0 3.0=100 HD3 LYS 73 + HG3 LYS 73 OK 44 44 100 100 2.4-3.0 3.0=100 HB3 LEU 70 - HG3 LYS 73 far 9 59 15 - 4.3-6.8 HG3 LYS 20 - HG3 LYS 90 far 4 90 5 - 4.4-9.6 HB ILE 15 - HG3 LYS 12 far 0 45 0 - 4.8-6.1 HD3 LYS 20 - HG3 LYS 90 far 0 90 0 - 5.0-9.8 HB3 ARG 91 - HG3 LYS 90 far 0 97 0 - 5.2-8.3 HG2 PRO 86 - HG3 LYS 90 far 0 100 0 - 5.2-8.3 HG LEU 70 - HG3 LYS 73 far 0 69 0 - 5.2-8.1 HD2 LYS 20 - HG3 LYS 90 far 0 93 0 - 5.6-9.0 HD2 LYS 13 - HG3 LYS 12 far 0 73 0 - 5.7-8.8 HD3 LYS 13 - HG3 LYS 12 far 0 73 0 - 6.1-8.9 HG3 LYS 20 - HG2 LYS 24 far 0 65 0 - 6.5-10.1 HD3 LYS 13 - HG3 LYS 90 far 0 100 0 - 6.7-14.1 HD2 LYS 13 - HG3 LYS 90 far 0 100 0 - 6.9-13.4 HG12 ILE 15 - HG3 LYS 12 far 0 73 0 - 7.2-8.4 HD3 LYS 24 - HG3 LYS 90 far 0 100 0 - 7.5-13.4 HD3 LYS 66 - HG3 LYS 73 far 0 68 0 - 8.2-12.3 HD2 LYS 20 - HG3 LYS 12 far 0 63 0 - 8.3-12.8 HD3 LYS 20 - HG2 LYS 24 far 0 65 0 - 8.5-10.7 HD2 LYS 24 - HG3 LYS 90 far 0 100 0 - 8.6-13.7 HD2 LYS 20 - HG2 LYS 24 far 0 68 0 - 8.7-11.2 HG12 ILE 15 - HG3 LYS 90 far 0 100 0 - 8.8-11.9 HB ILE 15 - HG3 LYS 90 far 0 71 0 - 8.9-12.2 HD2 LYS 33 - HG3 LYS 12 far 0 52 0 - 9.0-12.5 HD3 LYS 90 - HG2 LYS 24 far 0 79 0 - 9.6-13.0 HD3 LYS 20 - HG3 LYS 12 far 0 60 0 - 9.6-13.3 HD3 LYS 33 - HG3 LYS 12 far 0 52 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 3965 from cnoeabs.peaks (2.81, 1.58, 25.29 ppm; 5.04 A): 1 out of 2 assignments used, quality = 1.00: * HE2 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.0-3.8 3.8=100 HE2 LYS 90 - HG2 LYS 24 far 0 79 0 - 8.2-12.7 Violated in 0 structures by 0.00 A. Peak 3966 from cnoeabs.peaks (2.94, 1.58, 25.29 ppm; 4.41 A): 7 out of 29 assignments used, quality = 1.00: * HE3 LYS 90 + HG3 LYS 90 OK 100 100 100 100 2.0-3.1 3.8=100 HG2 MET 21 + HG3 LYS 90 OK 93 100 95 98 2.5-6.3 3920/4.0=59, 3955/1.8=36...(24) HE3 LYS 73 + HG3 LYS 73 OK 66 66 100 100 2.0-3.2 4.0=100 HE2 LYS 73 + HG3 LYS 73 OK 62 62 100 100 2.1-3.8 4.0=100 HE2 LYS 24 + HG2 LYS 24 OK 59 59 100 100 2.0-4.1 3.7=100 HE3 LYS 24 + HG2 LYS 24 OK 59 59 100 100 2.0-4.2 3.7=100 HE3 LYS 12 + HG3 LYS 12 OK 51 51 100 100 2.2-4.1 4.0=100 HE2 LYS 94 - HG3 LYS 90 poor 19 96 20 - 5.3-8.9 HE3 LYS 94 - HG2 LYS 24 poor 15 61 25 - 4.4-11.1 HE2 LYS 94 - HG2 LYS 24 poor 14 71 20 - 3.1-11.5 HE2 LYS 20 - HG3 LYS 90 far 4 87 5 - 5.1-10.0 HE3 LYS 94 - HG3 LYS 90 far 4 85 5 - 4.2-9.3 HB2 ASN 10 - HG3 LYS 12 far 0 72 0 - 6.3-10.1 HG2 MET 21 - HG2 LYS 24 far 0 78 0 - 6.4-9.2 HE3 LYS 20 - HG2 LYS 24 far 0 63 0 - 6.6-11.6 HE2 LYS 20 - HG2 LYS 24 far 0 62 0 - 6.6-10.5 HE3 LYS 20 - HG3 LYS 90 far 0 88 0 - 6.7-10.5 HE3 LYS 66 - HG3 LYS 73 far 0 39 0 - 7.0-12.3 HE3 LYS 13 - HG3 LYS 12 far 0 60 0 - 7.3-9.6 HE2 LYS 13 - HG3 LYS 90 far 0 87 0 - 7.5-12.5 HE3 LYS 13 - HG3 LYS 90 far 0 90 0 - 7.5-13.7 HE2 LYS 13 - HG3 LYS 12 far 0 58 0 - 8.1-10.5 HE2 LYS 24 - HG3 LYS 90 far 0 84 0 - 8.3-12.9 HE3 LYS 24 - HG3 LYS 90 far 0 84 0 - 8.8-13.3 HE3 LYS 20 - HG3 LYS 12 far 0 59 0 - 9.2-14.9 HE3 LYS 90 - HG2 LYS 24 far 0 79 0 - 9.2-14.0 HE2 LYS 68 - HG3 LYS 73 far 0 51 0 - 9.2-13.2 HE3 LYS 68 - HG3 LYS 73 far 0 48 0 - 9.5-13.1 HE2 LYS 20 - HG3 LYS 12 far 0 58 0 - 9.9-15.3 Violated in 0 structures by 0.00 A. Peak 3967 from cnoeabs.peaks (7.47, 1.58, 25.29 ppm; 5.77 A): 1 out of 7 assignments used, quality = 1.00: * H ARG 91 + HG3 LYS 90 OK 100 100 100 100 2.1-5.1 7435/1.8=100...(22) HE22 GLN 72 - HG3 LYS 73 poor 19 47 55 73 5.3-8.8 4.4/10845=48...(6) HD22 ASN 26 - HG2 LYS 24 poor 10 79 30 42 6.7-9.1 5.5/8618=25...(3) HE ARG 19 - HG3 LYS 12 far 0 64 0 - 8.5-13.9 HE3 TRP 92 - HG3 LYS 90 far 0 59 0 - 8.9-11.5 HZ2 TRP 92 - HG3 LYS 90 far 0 91 0 - 9.7-12.7 H ARG 91 - HG2 LYS 24 far 0 79 0 - 9.8-13.4 Violated in 0 structures by 0.00 A. Peak 3968 from cnoeabs.peaks (8.05, 1.74, 29.44 ppm; 4.57 A): 2 out of 5 assignments used, quality = 1.00: * H LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.6-4.4 7421=100, 7422/1.8=89...(20) H GLU 17 + HD2 LYS 90 OK 26 95 45 62 5.0-7.9 758/12232=14...(14) H ILE 15 - HD2 LYS 90 far 0 81 0 - 6.6-10.8 H GLU 16 - HD2 LYS 90 far 0 77 0 - 6.9-10.3 H LYS 13 - HD2 LYS 90 far 0 79 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 3969 from cnoeabs.peaks (3.67, 1.74, 29.44 ppm; 4.93 A): 3 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HD2 LYS 90 OK 100 100 100 100 4.3-5.0 3917=100, 3918/1.8=92...(55) HA LEU 14 + HD2 LYS 90 OK 47 98 65 73 3.4-7.7 3958/2.9=26, 3991/3.0=21...(11) HA GLU 88 + HD2 LYS 90 OK 26 99 35 77 5.4-7.8 7428/7437=38...(11) Violated in 0 structures by 0.00 A. Peak 3970 from cnoeabs.peaks (1.81, 1.74, 29.44 ppm; 3.41 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.1-3.5 3.6=84, 3.0/3917=43...(58) HB3 LYS 90 + HD2 LYS 90 OK 89 90 100 100 2.0-4.2 3.6=84, 3.0/3917=43...(53) HB ILE 93 - HD2 LYS 90 far 0 99 0 - 6.0-7.5 HB2 GLU 88 - HD2 LYS 90 far 0 100 0 - 7.4-9.5 HB3 LEU 57 - HD2 LYS 90 far 0 98 0 - 7.9-11.2 Violated in 0 structures by 0.00 A. Peak 3971 from cnoeabs.peaks (1.83, 1.74, 29.44 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * HB3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.0-4.2 3.6=100 HB2 LYS 90 + HD2 LYS 90 OK 90 90 100 100 2.1-3.5 3.6=100 HB ILE 93 - HD2 LYS 90 far 0 75 0 - 6.0-7.5 HB2 GLU 88 - HD2 LYS 90 far 0 85 0 - 7.4-9.5 HB3 LEU 57 - HD2 LYS 90 far 0 99 0 - 7.9-11.2 Violated in 0 structures by 0.00 A. Peak 3972 from cnoeabs.peaks (1.29, 1.74, 29.44 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.2-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 3973 from cnoeabs.peaks (1.58, 1.74, 29.44 ppm; 3.39 A): 1 out of 5 assignments used, quality = 1.00: * HG3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.7-3.0 2.9=100 HD3 LYS 94 - HD2 LYS 90 far 5 97 5 - 4.7-10.3 HG2 LYS 24 - HD2 LYS 90 far 0 100 0 - 8.6-14.1 HG2 ARG 19 - HD2 LYS 90 far 0 100 0 - 8.7-13.1 HB3 LEU 29 - HD2 LYS 90 far 0 98 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 3974 from cnoeabs.peaks (1.74, 1.74, 29.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 90 + HD2 LYS 90 OK 100 100 - 100 Peak 3975 from cnoeabs.peaks (1.70, 1.74, 29.44 ppm; 2.40 A): 1 out of 12 assignments used, quality = 1.00: * HD3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ARG 91 - HD2 LYS 90 far 0 97 0 - 4.3-8.2 HD2 LYS 20 - HD2 LYS 90 far 0 93 0 - 4.4-9.8 HG2 PRO 86 - HD2 LYS 90 far 0 100 0 - 4.6-7.9 HG3 LYS 20 - HD2 LYS 90 far 0 90 0 - 4.8-9.8 HD3 LYS 13 - HD2 LYS 90 far 0 100 0 - 5.5-13.6 HD2 LYS 13 - HD2 LYS 90 far 0 100 0 - 5.6-13.4 HD3 LYS 20 - HD2 LYS 90 far 0 90 0 - 6.0-10.2 HG12 ILE 15 - HD2 LYS 90 far 0 100 0 - 8.1-12.3 HD3 LYS 24 - HD2 LYS 90 far 0 100 0 - 8.2-15.1 HB ILE 15 - HD2 LYS 90 far 0 71 0 - 8.6-12.4 HD2 LYS 24 - HD2 LYS 90 far 0 100 0 - 9.4-15.5 Violated in 0 structures by 0.00 A. Peak 3976 from cnoeabs.peaks (2.81, 1.74, 29.44 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 3977 from cnoeabs.peaks (2.94, 1.74, 29.44 ppm; 3.75 A): 2 out of 10 assignments used, quality = 1.00: * HE3 LYS 90 + HD2 LYS 90 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 MET 21 + HD2 LYS 90 OK 40 100 45 89 3.3-7.5 3920/3917=42...(18) HE2 LYS 94 - HD2 LYS 90 far 14 96 15 - 4.5-10.9 HE3 LYS 94 - HD2 LYS 90 far 0 85 0 - 5.4-10.9 HE3 LYS 20 - HD2 LYS 90 far 0 88 0 - 5.6-11.0 HE2 LYS 13 - HD2 LYS 90 far 0 87 0 - 6.4-12.8 HE3 LYS 13 - HD2 LYS 90 far 0 90 0 - 6.5-12.8 HE2 LYS 20 - HD2 LYS 90 far 0 87 0 - 6.6-11.4 HE2 LYS 24 - HD2 LYS 90 far 0 84 0 - 7.4-15.0 HE3 LYS 24 - HD2 LYS 90 far 0 84 0 - 7.6-15.4 Violated in 0 structures by 0.00 A. Peak 3978 from cnoeabs.peaks (7.47, 1.74, 29.44 ppm; 4.91 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + HD2 LYS 90 OK 100 100 100 100 2.3-4.8 7437=100, 7435/2.9=78...(20) HZ2 TRP 92 - HD2 LYS 90 far 0 91 0 - 9.6-12.3 HE3 TRP 92 - HD2 LYS 90 far 0 59 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 3979 from cnoeabs.peaks (8.05, 1.70, 29.44 ppm; 3.70 A): 5 out of 31 assignments used, quality = 1.00: * H LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.3-4.4 7422=76, 7421/1.8=63...(24) H ILE 15 + HG12 ILE 15 OK 80 80 100 99 2.5-2.9 4.6=51, 669/1.8=43...(25) H GLU 16 + HG12 ILE 15 OK 74 77 100 96 4.5-4.7 6233=42, 652/2.9=33...(17) H GLU 17 + HD2 LYS 20 OK 44 59 95 78 3.4-5.4 6219=15, 6250/12058=14...(27) H GLU 17 + HD3 LYS 20 OK 21 54 55 72 3.4-6.1 6219/1.8=14, ~894=11...(25) H GLU 17 - HD3 LYS 90 far 14 95 15 - 4.9-8.6 H LYS 13 - HD2 LYS 12 far 7 46 15 - 4.4-5.8 H GLU 16 - HD2 LYS 12 far 7 44 15 - 3.6-6.2 H GLU 16 - HD3 LYS 12 far 7 44 15 - 4.3-7.8 H ILE 15 - HD2 LYS 12 far 5 47 10 - 5.0-6.5 H LYS 13 - HD3 LYS 12 far 5 46 10 - 4.7-6.4 H LYS 90 - HB3 ARG 91 far 4 86 5 - 4.8-6.2 H ARG 46 - HD3 LYS 47 far 3 69 5 - 5.1-7.1 H GLU 16 - HD2 LYS 20 far 0 45 0 - 5.2-7.3 H GLU 16 - HD3 LYS 20 far 0 40 0 - 5.4-8.2 H ARG 46 - HD2 LYS 47 far 0 67 0 - 5.5-7.4 H GLU 17 - HD2 LYS 12 far 0 59 0 - 6.1-8.8 H ILE 15 - HD3 LYS 12 far 0 47 0 - 6.1-7.8 H LYS 13 - HG12 ILE 15 far 0 78 0 - 6.1-6.7 H GLU 17 - HD3 LYS 12 far 0 59 0 - 6.3-10.4 H GLU 17 - HG12 ILE 15 far 0 94 0 - 6.5-6.8 H GLU 16 - HD3 LYS 90 far 0 77 0 - 7.1-11.0 H ILE 15 - HD3 LYS 90 far 0 81 0 - 7.5-11.1 H LYS 90 - HD2 LYS 20 far 0 67 0 - 7.6-10.5 H ILE 15 - HD2 LYS 20 far 0 47 0 - 7.6-9.8 H ILE 15 - HD3 LYS 20 far 0 42 0 - 7.7-10.6 H LYS 90 - HD3 LYS 20 far 0 61 0 - 7.9-10.9 H LYS 90 - HG12 ILE 15 far 0 100 0 - 8.3-9.1 H LYS 13 - HD2 LYS 20 far 0 46 0 - 8.8-10.9 H LYS 13 - HD3 LYS 20 far 0 41 0 - 8.8-12.1 H LYS 13 - HD3 LYS 90 far 0 79 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 3980 from cnoeabs.peaks (3.67, 1.70, 29.44 ppm; 4.60 A): 5 out of 16 assignments used, quality = 1.00: * HA LYS 90 + HD3 LYS 90 OK 100 100 100 100 4.2-4.9 3918=100, 3917/1.8=90...(52) HA LEU 14 + HG12 ILE 15 OK 91 97 100 94 5.6-6.0 3.6/6219=36, ~8437=33...(17) HA GLU 88 + HB3 ARG 91 OK 82 83 100 100 2.9-4.8 4024/1.8=86, 3871=40...(18) HA LEU 14 + HD3 LYS 90 OK 62 98 75 84 4.4-7.9 3958/2.9=23, 3969/1.8=19...(15) HA GLU 88 + HD3 LYS 90 OK 26 99 35 74 5.9-7.8 7428/7438=19...(20) HA LYS 90 - HB3 ARG 91 far 4 86 5 - 5.8-6.6 HA LEU 14 - HD3 LYS 20 far 0 57 0 - 6.8-9.3 HA LEU 14 - HD2 LYS 20 far 0 62 0 - 6.8-8.8 HA LYS 90 - HD2 LYS 20 far 0 67 0 - 6.9-9.8 HA LEU 14 - HD2 LYS 12 far 0 62 0 - 7.2-9.5 HA LYS 90 - HD3 LYS 20 far 0 61 0 - 7.3-9.7 HA LEU 14 - HD3 LYS 12 far 0 62 0 - 7.6-10.8 HA LEU 42 - HD3 LYS 47 far 0 50 0 - 8.1-11.2 HA LEU 42 - HD2 LYS 47 far 0 49 0 - 8.5-11.2 HA LYS 90 - HG12 ILE 15 far 0 100 0 - 9.1-10.3 HA LEU 14 - HB3 ARG 91 far 0 81 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 3981 from cnoeabs.peaks (1.81, 1.70, 29.44 ppm; 3.23 A): 2 out of 28 assignments used, quality = 1.00: * HB2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 1.9-4.0 3.6=71, 3.0/3918=34...(57) HB3 LYS 90 + HD3 LYS 90 OK 89 90 100 100 2.9-3.9 3.6=71, 3.0/3918=34...(49) HG2 ARG 46 - HD2 LYS 47 far 12 78 15 - 4.6-9.3 HG2 ARG 46 - HD3 LYS 47 far 8 79 10 - 4.3-8.5 HB2 GLU 104 - HB3 ARG 91 far 4 85 5 - 3.6-17.8 HB2 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.3-9.6 HB2 GLU 88 - HB3 ARG 91 far 0 85 0 - 5.3-7.2 HB3 LYS 90 - HD2 LYS 20 far 0 54 0 - 5.3-8.5 HG3 ARG 46 - HD2 LYS 47 far 0 64 0 - 5.3-9.5 HB2 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.4-10.0 HG3 ARG 46 - HD3 LYS 47 far 0 66 0 - 5.4-9.0 HB2 LYS 90 - HB3 ARG 91 far 0 86 0 - 5.5-7.4 HB3 LYS 90 - HD3 LYS 20 far 0 49 0 - 5.7-8.9 HB3 LEU 57 - HG12 ILE 15 far 0 98 0 - 5.9-7.0 HB3 LYS 90 - HB3 ARG 91 far 0 71 0 - 6.2-7.3 HB ILE 93 - HB3 ARG 91 far 0 83 0 - 6.4-7.2 HB ILE 93 - HD3 LYS 90 far 0 99 0 - 6.4-7.6 HB2 GLU 88 - HD3 LYS 90 far 0 100 0 - 7.5-9.7 HB2 LYS 90 - HG12 ILE 15 far 0 100 0 - 8.6-11.2 HB ILE 93 - HD2 LYS 20 far 0 65 0 - 8.7-11.6 HB3 LEU 57 - HD3 LYS 90 far 0 98 0 - 8.7-11.0 HB2 LEU 42 - HD3 LYS 47 far 0 84 0 - 8.8-11.7 HB3 LYS 90 - HG12 ILE 15 far 0 89 0 - 9.1-11.3 HB2 LEU 42 - HD2 LYS 47 far 0 82 0 - 9.1-11.8 HB2 GLU 104 - HD3 LYS 90 far 0 100 0 - 9.1-22.2 HB ILE 93 - HD3 LYS 20 far 0 59 0 - 9.2-11.1 HB3 LEU 57 - HB3 ARG 91 far 0 81 0 - 9.3-11.6 HB3 GLU 63 - HG12 ILE 15 far 0 69 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3982 from cnoeabs.peaks (1.83, 1.70, 29.44 ppm; 3.00 A): 6 out of 40 assignments used, quality = 1.00: * HB3 LYS 90 + HD3 LYS 90 OK 99 100 100 99 2.9-3.9 3.6=57, 3941/1.8=29...(47) HB2 LYS 90 + HD3 LYS 90 OK 89 90 100 99 1.9-4.0 3.6=57, 3.0/3918=29...(53) HB2 LYS 12 + HD2 LYS 12 OK 44 44 100 99 2.0-2.9 3.6=59, 3.0/386=14...(76) HB2 LYS 12 + HD3 LYS 12 OK 44 44 100 99 2.1-3.6 3.6=59, 3.0/386=13...(74) HB3 LYS 12 + HD2 LYS 12 OK 41 42 100 99 3.4-3.9 3.6=59, 3.0/386=14...(75) HB3 LYS 12 + HD3 LYS 12 OK 41 42 100 99 3.2-4.2 3.6=59, 3.0/386=13...(74) HG2 ARG 46 - HD3 LYS 47 far 8 82 10 - 4.3-8.5 HB2 GLU 104 - HB3 ARG 91 far 3 67 5 - 3.6-17.8 HB3 GLU 104 - HB3 ARG 91 far 2 50 5 - 4.0-18.0 HG2 ARG 46 - HD2 LYS 47 far 0 80 0 - 4.6-9.3 HB2 LYS 90 - HD2 LYS 20 far 0 54 0 - 5.3-9.6 HB2 GLU 88 - HB3 ARG 91 far 0 67 0 - 5.3-7.2 HB3 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.3-8.5 HB2 LYS 90 - HD3 LYS 20 far 0 49 0 - 5.4-10.0 HB2 LYS 90 - HB3 ARG 91 far 0 71 0 - 5.5-7.4 HB3 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.7-8.9 HB3 LEU 57 - HG12 ILE 15 far 0 99 0 - 5.9-7.0 HB3 LYS 90 - HB3 ARG 91 far 0 86 0 - 6.2-7.3 HB2 LYS 12 - HG12 ILE 15 far 0 77 0 - 6.4-7.1 HB ILE 93 - HB3 ARG 91 far 0 58 0 - 6.4-7.2 HB ILE 93 - HD3 LYS 90 far 0 75 0 - 6.4-7.6 HB3 LYS 12 - HG12 ILE 15 far 0 73 0 - 7.0-7.6 HB2 GLU 88 - HD3 LYS 90 far 0 85 0 - 7.5-9.7 HB2 LYS 12 - HD2 LYS 20 far 0 45 0 - 8.6-12.2 HB2 LYS 90 - HG12 ILE 15 far 0 89 0 - 8.6-11.2 HB ILE 93 - HD2 LYS 20 far 0 43 0 - 8.7-11.6 HB2 LYS 12 - HD3 LYS 20 far 0 40 0 - 8.7-13.0 HB3 LEU 57 - HD3 LYS 90 far 0 99 0 - 8.7-11.0 HB2 LEU 42 - HD3 LYS 47 far 0 63 0 - 8.8-11.7 HB3 LYS 90 - HG12 ILE 15 far 0 100 0 - 9.1-11.3 HB2 LEU 42 - HD2 LYS 47 far 0 61 0 - 9.1-11.8 HB3 LYS 39 - HD3 LYS 47 far 0 61 0 - 9.1-14.0 HB2 GLU 104 - HD3 LYS 90 far 0 85 0 - 9.1-22.2 HB3 LYS 39 - HD2 LYS 47 far 0 60 0 - 9.2-14.3 HB ILE 93 - HD3 LYS 20 far 0 39 0 - 9.2-11.1 HB3 LEU 57 - HB3 ARG 91 far 0 83 0 - 9.3-11.6 HB3 LYS 12 - HD2 LYS 20 far 0 42 0 - 9.3-12.8 HB3 LYS 12 - HD3 LYS 20 far 0 38 0 - 9.5-13.8 HB VAL 5 - HG12 ILE 15 far 0 82 0 - 9.8-10.6 HB3 GLU 104 - HD3 LYS 90 far 0 65 0 - 9.9-21.8 Violated in 0 structures by 0.00 A. Peak 3983 from cnoeabs.peaks (1.29, 1.70, 29.44 ppm; 3.79 A): 2 out of 7 assignments used, quality = 1.00: * HG2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 LYS 90 + HB3 ARG 91 OK 27 86 35 89 3.9-7.8 7435/3.9=40, 3953=20...(34) HG2 LYS 90 - HD3 LYS 20 far 0 61 0 - 6.1-10.9 HG2 LYS 90 - HD2 LYS 20 far 0 67 0 - 6.7-9.8 HG2 LYS 90 - HG12 ILE 15 far 0 100 0 - 7.8-11.9 HB3 LEU 42 - HD3 LYS 47 far 0 77 0 - 9.3-12.0 HB3 LEU 42 - HD2 LYS 47 far 0 75 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 3984 from cnoeabs.peaks (1.58, 1.70, 29.44 ppm; 2.75 A): 5 out of 33 assignments used, quality = 1.00: * HG3 LYS 90 + HD3 LYS 90 OK 98 100 100 98 2.2-3.0 2.9=82, 7420/7422=23...(31) HG3 LYS 12 + HD2 LYS 12 OK 63 64 100 99 2.6-3.0 3.0=79, 464/3.0=30...(54) HG3 LYS 12 + HD3 LYS 12 OK 63 64 100 98 2.2-2.7 3.0=79, 464/3.0=30...(53) HG3 LYS 47 + HD3 LYS 47 OK 44 45 100 98 2.3-3.0 3.0=80, 1.8/2164=8...(81) HG3 LYS 47 + HD2 LYS 47 OK 43 44 100 98 2.3-3.0 3.0=80, 1.8/2164=8...(81) HD3 LYS 94 - HB3 ARG 91 far 12 80 15 - 4.1-7.9 HG2 ARG 19 - HD2 LYS 20 far 7 67 10 - 4.1-8.9 HG2 ARG 19 - HD3 LYS 20 far 3 61 5 - 3.9-9.2 HG3 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.0-9.8 HG3 LYS 90 - HB3 ARG 91 far 0 86 0 - 5.2-8.3 HD3 LYS 94 - HD3 LYS 90 far 0 97 0 - 5.6-10.7 HG3 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.6-9.0 HG2 ARG 19 - HG12 ILE 15 far 0 100 0 - 6.4-8.7 HG3 LYS 12 - HG12 ILE 15 far 0 99 0 - 7.2-8.4 HG2 ARG 19 - HD2 LYS 12 far 0 67 0 - 7.6-10.5 HG3 LYS 12 - HD2 LYS 20 far 0 64 0 - 8.3-12.8 HB2 LEU 103 - HB3 ARG 91 far 0 86 0 - 8.4-18.4 HG2 ARG 19 - HD3 LYS 90 far 0 100 0 - 8.4-13.6 HB3 LEU 29 - HD2 LYS 20 far 0 63 0 - 8.4-10.4 HG2 LYS 24 - HD3 LYS 20 far 0 61 0 - 8.5-10.7 HB3 LEU 29 - HG12 ILE 15 far 0 98 0 - 8.6-10.0 HG2 LYS 24 - HD2 LYS 20 far 0 67 0 - 8.7-11.2 HG3 LYS 90 - HG12 ILE 15 far 0 100 0 - 8.8-11.9 HG2 ARG 19 - HD3 LYS 12 far 0 67 0 - 8.9-11.9 HB3 LEU 29 - HD3 LYS 20 far 0 57 0 - 9.2-10.9 HB2 ARG 30 - HG12 ILE 15 far 0 92 0 - 9.2-10.6 HG2 LYS 33 - HD2 LYS 12 far 0 37 0 - 9.2-12.7 HG2 LYS 33 - HD3 LYS 12 far 0 37 0 - 9.2-14.2 HG LEU 103 - HB3 ARG 91 far 0 86 0 - 9.3-19.5 HG2 LYS 24 - HD3 LYS 90 far 0 100 0 - 9.6-13.0 HG3 LYS 12 - HD3 LYS 20 far 0 58 0 - 9.6-13.3 HD3 LYS 94 - HD3 LYS 20 far 0 56 0 - 9.8-12.3 HB3 LEU 29 - HD3 LYS 90 far 0 98 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 3985 from cnoeabs.peaks (1.74, 1.70, 29.44 ppm; 2.40 A): 4 out of 44 assignments used, quality = 1.00: * HD2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB ILE 15 + HG12 ILE 15 OK 91 99 100 92 2.8-2.9 2.9=57, 650/2.1=19...(24) HD2 LYS 12 + HD3 LYS 12 OK 33 33 100 100 1.8-1.8 1.8=100 HD3 LYS 12 + HD2 LYS 12 OK 33 33 100 100 1.8-1.8 1.8=100 HB ILE 15 - HD2 LYS 12 far 10 64 15 - 3.5-4.6 HD2 LYS 90 - HB3 ARG 91 far 0 86 0 - 4.3-8.2 HD2 LYS 90 - HD2 LYS 20 far 0 67 0 - 4.4-9.8 HG3 ARG 19 - HD3 LYS 20 far 0 50 0 - 4.7-8.8 HB ILE 15 - HD3 LYS 12 far 0 64 0 - 5.0-6.1 HG3 ARG 19 - HD2 LYS 20 far 0 55 0 - 5.3-8.3 HG3 ARG 19 - HG12 ILE 15 far 0 90 0 - 5.6-9.7 HD2 LYS 90 - HD3 LYS 20 far 0 61 0 - 6.0-10.2 HD2 LYS 12 - HG12 ILE 15 far 0 59 0 - 6.3-6.8 HG3 ARG 19 - HD2 LYS 12 far 0 55 0 - 6.4-10.9 HD2 LYS 13 - HD3 LYS 90 far 0 59 0 - 6.5-13.5 HD2 LYS 13 - HG12 ILE 15 far 0 59 0 - 6.7-8.8 HD3 LYS 13 - HG12 ILE 15 far 0 63 0 - 6.9-8.9 HD3 LYS 13 - HD3 LYS 90 far 0 63 0 - 7.0-13.5 HD2 LYS 33 - HD2 LYS 12 far 0 61 0 - 7.2-10.9 HD2 LYS 33 - HD3 LYS 12 far 0 61 0 - 7.3-12.6 HD3 LYS 12 - HG12 ILE 15 far 0 59 0 - 7.4-8.3 HD3 LYS 13 - HD3 LYS 12 far 0 35 0 - 7.4-10.6 HD3 LYS 13 - HD2 LYS 12 far 0 35 0 - 7.5-9.8 HD3 LYS 12 - HD2 LYS 20 far 0 33 0 - 7.6-13.0 HG3 ARG 19 - HD3 LYS 12 far 0 55 0 - 7.6-12.3 HD3 LYS 33 - HG12 ILE 15 far 0 96 0 - 7.6-9.4 HD2 LYS 13 - HD3 LYS 12 far 0 33 0 - 7.7-10.4 HB ILE 15 - HD2 LYS 20 far 0 64 0 - 7.7-9.7 HD2 LYS 33 - HG12 ILE 15 far 0 96 0 - 7.7-9.5 HD2 LYS 13 - HD2 LYS 12 far 0 33 0 - 7.7-9.7 HD2 LYS 12 - HD2 LYS 20 far 0 33 0 - 7.8-12.0 HD3 LYS 33 - HD2 LYS 12 far 0 61 0 - 7.8-11.2 HB ILE 15 - HD3 LYS 20 far 0 58 0 - 7.9-10.6 HD3 LYS 33 - HD3 LYS 12 far 0 61 0 - 8.0-12.7 HD2 LYS 90 - HG12 ILE 15 far 0 100 0 - 8.1-12.3 HD3 LYS 12 - HD3 LYS 20 far 0 29 0 - 8.5-13.9 HD3 LYS 13 - HD2 LYS 20 far 0 35 0 - 8.6-12.3 HD2 LYS 13 - HD3 LYS 20 far 0 29 0 - 8.7-13.8 HD3 LYS 13 - HD3 LYS 20 far 0 32 0 - 8.8-13.6 HD2 LYS 13 - HD2 LYS 20 far 0 33 0 - 8.8-12.3 HD2 LYS 12 - HD3 LYS 20 far 0 29 0 - 8.8-12.2 HG3 ARG 19 - HD3 LYS 90 far 0 91 0 - 9.1-12.9 HB ILE 15 - HD3 LYS 90 far 0 99 0 - 9.2-12.9 HB3 GLU 63 - HG12 ILE 15 far 0 59 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 3986 from cnoeabs.peaks (1.70, 1.70, 29.44 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD3 LYS 90 + HD3 LYS 90 OK 100 100 - 100 HG12 ILE 15 + HG12 ILE 15 OK 100 100 - 100 HB3 ARG 91 + HB3 ARG 91 OK 80 80 - 100 HD3 LYS 47 + HD3 LYS 47 OK 78 78 - 100 HD2 LYS 47 + HD2 LYS 47 OK 75 75 - 100 HD3 LYS 12 + HD3 LYS 12 OK 67 67 - 100 HD2 LYS 12 + HD2 LYS 12 OK 67 67 - 100 HD2 LYS 20 + HD2 LYS 20 OK 57 57 - 100 HD3 LYS 20 + HD3 LYS 20 OK 49 49 - 100 Peak 3987 from cnoeabs.peaks (2.81, 1.70, 29.44 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HE2 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 90 - HD3 LYS 20 far 6 61 10 - 5.0-9.2 HE2 LYS 90 - HD2 LYS 20 far 0 67 0 - 5.8-8.5 HE2 LYS 90 - HB3 ARG 91 far 0 86 0 - 6.0-8.8 Violated in 0 structures by 0.00 A. Peak 3988 from cnoeabs.peaks (2.94, 1.70, 29.44 ppm; 3.13 A): 12 out of 60 assignments used, quality = 1.00: * HE3 LYS 90 + HD3 LYS 90 OK 100 100 100 100 2.6-3.0 3.0=100 HE3 LYS 20 + HD2 LYS 20 OK 53 53 100 100 2.2-3.0 3.0=100 HE2 LYS 20 + HD2 LYS 20 OK 52 52 100 100 2.2-3.0 3.0=100 HE3 LYS 20 + HD3 LYS 20 OK 48 48 100 100 2.4-3.0 3.0=100 HE2 LYS 20 + HD3 LYS 20 OK 47 47 100 100 2.3-3.0 3.0=100 HE3 LYS 12 + HD2 LYS 12 OK 46 46 100 100 2.2-3.0 3.0=100 HE3 LYS 12 + HD3 LYS 12 OK 46 46 100 100 2.3-3.0 3.0=100 HE2 LYS 47 + HD3 LYS 47 OK 45 45 100 100 2.2-2.7 3.0=100 HE3 LYS 47 + HD3 LYS 47 OK 45 45 100 100 2.9-3.0 3.0=100 HE3 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.3-2.8 3.0=100 HE2 LYS 47 + HD2 LYS 47 OK 44 44 100 100 2.9-3.0 3.0=100 HG2 MET 21 + HD3 LYS 90 OK 35 100 50 71 3.7-7.8 3920/3918=26...(16) HE2 LYS 94 - HB3 ARG 91 poor 15 78 60 31 2.8-9.1 3.9/1820=4, 3.9/1820=4...(13) HE3 LYS 94 - HB3 ARG 91 poor 10 67 50 31 2.9-8.3 3.9/1820=4, 3.9/1820=4...(12) HE2 LYS 94 - HD3 LYS 90 far 5 96 5 - 4.1-10.1 HE3 LYS 90 - HD2 LYS 20 far 3 67 5 - 4.4-9.9 HE3 LYS 94 - HD3 LYS 90 far 0 85 0 - 4.9-10.3 HE3 LYS 90 - HD3 LYS 20 far 0 61 0 - 5.5-10.8 HE3 LYS 90 - HB3 ARG 91 far 0 86 0 - 5.7-9.5 HG2 MET 21 - HB3 ARG 91 far 0 85 0 - 6.2-8.9 HE3 LYS 12 - HG12 ILE 15 far 0 78 0 - 6.2-9.4 HG2 MET 21 - HD2 LYS 20 far 0 67 0 - 6.4-9.7 HE2 LYS 20 - HD3 LYS 90 far 0 87 0 - 6.4-11.9 HG2 MET 21 - HD3 LYS 20 far 0 61 0 - 6.6-9.1 HE3 LYS 13 - HD3 LYS 90 far 0 90 0 - 6.6-12.7 HB2 ASN 10 - HD3 LYS 12 far 0 65 0 - 6.7-11.7 HB3 PHE 45 - HD3 LYS 47 far 0 57 0 - 7.0-9.9 HE3 LYS 20 - HD3 LYS 90 far 0 88 0 - 7.2-11.1 HE2 LYS 13 - HD3 LYS 90 far 0 87 0 - 7.3-12.5 HB2 ASN 10 - HG12 ILE 15 far 0 99 0 - 7.4-8.6 HB2 ASN 10 - HD2 LYS 12 far 0 65 0 - 7.5-10.4 HE3 LYS 20 - HD3 LYS 12 far 0 53 0 - 7.5-15.2 HE2 LYS 24 - HD3 LYS 20 far 0 45 0 - 7.6-12.5 HB3 PHE 45 - HD2 LYS 47 far 0 55 0 - 7.7-10.4 HE3 LYS 20 - HD2 LYS 12 far 0 53 0 - 7.8-14.2 HE2 LYS 20 - HD3 LYS 12 far 0 52 0 - 8.0-16.0 HE3 LYS 13 - HD3 LYS 12 far 0 54 0 - 8.2-11.5 HE2 LYS 20 - HD2 LYS 12 far 0 52 0 - 8.2-14.3 HE2 LYS 13 - HD3 LYS 12 far 0 52 0 - 8.3-12.3 HE2 LYS 13 - HD2 LYS 12 far 0 52 0 - 8.6-11.7 HE3 LYS 13 - HD2 LYS 12 far 0 54 0 - 8.6-10.9 HE2 LYS 24 - HD2 LYS 20 far 0 50 0 - 8.7-13.2 HE3 LYS 90 - HG12 ILE 15 far 0 100 0 - 8.7-13.2 HE2 LYS 24 - HD3 LYS 90 far 0 84 0 - 8.7-14.4 HE3 LYS 24 - HD3 LYS 90 far 0 84 0 - 8.8-14.7 HE3 LYS 13 - HG12 ILE 15 far 0 89 0 - 9.0-10.6 HE3 LYS 13 - HD3 LYS 20 far 0 49 0 - 9.0-13.2 HE3 LYS 20 - HG12 ILE 15 far 0 88 0 - 9.1-12.9 HE2 LYS 13 - HG12 ILE 15 far 0 86 0 - 9.1-9.9 HE3 LYS 24 - HD3 LYS 20 far 0 45 0 - 9.1-11.9 HE3 LYS 13 - HD2 LYS 20 far 0 54 0 - 9.2-12.0 HE2 LYS 94 - HD2 LYS 20 far 0 60 0 - 9.3-13.6 HE2 LYS 94 - HD3 LYS 20 far 0 54 0 - 9.4-14.0 HE3 LYS 24 - HD2 LYS 20 far 0 50 0 - 9.4-12.7 HE3 LYS 12 - HD2 LYS 20 far 0 46 0 - 9.5-14.2 HE3 LYS 24 - HB3 ARG 91 far 0 66 0 - 9.6-16.1 HE3 LYS 94 - HD3 LYS 20 far 0 46 0 - 9.7-14.2 HE2 LYS 13 - HD2 LYS 20 far 0 52 0 - 9.7-12.4 HE2 LYS 13 - HD3 LYS 20 far 0 47 0 - 9.9-13.7 HE2 LYS 20 - HG12 ILE 15 far 0 86 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 3989 from cnoeabs.peaks (7.47, 1.70, 29.44 ppm; 3.65 A): 4 out of 16 assignments used, quality = 1.00: * H ARG 91 + HD3 LYS 90 OK 99 100 100 99 2.9-4.6 7437/1.8=68, 7438=50...(22) H ARG 91 + HB3 ARG 91 OK 86 86 100 100 2.5-3.6 3.9=82, 4025/1.8=72...(18) H LYS 47 + HD3 LYS 47 OK 84 84 100 100 3.5-4.7 6773/3.0=61, 6772/3.0=53...(41) H LYS 47 + HD2 LYS 47 OK 78 83 95 100 3.8-5.2 6773/3.0=61, 6772/3.0=53...(39) HE ARG 46 - HD3 LYS 47 far 8 84 10 - 4.8-8.9 HE ARG 46 - HD2 LYS 47 far 8 83 10 - 4.1-9.4 HE ARG 19 - HD3 LYS 20 far 0 53 0 - 5.3-10.2 HE ARG 19 - HD2 LYS 20 far 0 58 0 - 5.7-10.3 HE ARG 19 - HG12 ILE 15 far 0 93 0 - 6.2-10.5 HE ARG 19 - HD2 LYS 12 far 0 58 0 - 6.3-11.3 HZ2 TRP 92 - HB3 ARG 91 far 0 72 0 - 6.5-8.2 HE ARG 19 - HD3 LYS 12 far 0 58 0 - 6.7-12.7 HE3 TRP 92 - HB3 ARG 91 far 0 45 0 - 7.0-8.4 H ARG 91 - HD2 LYS 20 far 0 67 0 - 8.6-12.1 H ARG 91 - HD3 LYS 20 far 0 61 0 - 9.2-12.3 HE3 TRP 92 - HD3 LYS 90 far 0 59 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 3990 from cnoeabs.peaks (8.05, 2.81, 41.80 ppm; 5.31 A): 4 out of 10 assignments used, quality = 1.00: * H LYS 90 + HE2 LYS 90 OK 100 100 100 100 4.5-5.6 7423=100, 7422/3.0=89...(21) H GLU 17 + HE2 LYS 90 OK 57 95 85 70 5.2-7.6 3968/3.0=17...(13) H GLY 101 + HE3 LYS 53 OK 44 63 95 74 2.9-6.9 3.0/12004=26, ~12004=22...(11) H GLY 101 + HE2 LYS 53 OK 36 69 70 75 3.4-7.7 3.0/12004=25, ~12004=22...(11) H SER 102 - HE3 LYS 53 poor 15 73 60 33 3.1-8.1 3.6/12004=24...(5) H SER 102 - HE2 LYS 53 poor 15 80 55 33 3.5-8.6 3.6/12004=24...(5) H GLU 16 - HE2 LYS 90 far 0 77 0 - 7.8-10.2 H ILE 15 - HE2 LYS 90 far 0 81 0 - 8.3-11.0 H LYS 13 - HE2 LYS 90 far 0 79 0 - 9.6-12.9 H ARG 46 - HE2 LYS 53 far 0 69 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 3991 from cnoeabs.peaks (3.67, 2.81, 41.80 ppm; 6.08 A): 2 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HE2 LYS 90 OK 100 100 100 100 5.1-6.1 3917/3.0=98, 3918/3.0=96...(50) HA LEU 14 + HE2 LYS 90 OK 79 98 95 85 5.1-8.0 3958/3.8=30, 3969/3.0=24...(14) HA GLU 88 - HE2 LYS 90 far 5 99 5 - 7.5-9.2 Violated in 0 structures by 0.00 A. Peak 3992 from cnoeabs.peaks (1.81, 2.81, 41.80 ppm; 3.89 A): 4 out of 10 assignments used, quality = 1.00: * HB2 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.9-4.2 4.8=52, ~4005=41...(47) HB3 LYS 90 + HE2 LYS 90 OK 89 90 100 100 3.3-4.4 4.8=52, ~4005=41...(40) HB2 LYS 53 + HE2 LYS 53 OK 60 60 100 100 3.4-5.1 5.0=46, ~2451=43...(45) HB2 LYS 53 + HE3 LYS 53 OK 55 55 100 100 3.9-5.3 5.0=46, ~2451=43...(45) HB VAL 78 - HE3 LYS 53 far 0 50 0 - 7.4-10.2 HB ILE 93 - HE2 LYS 90 far 0 99 0 - 7.4-8.4 HB VAL 78 - HE2 LYS 53 far 0 56 0 - 7.9-10.5 HB2 GLU 104 - HE3 LYS 53 far 0 78 0 - 9.0-17.2 HB2 GLU 88 - HE2 LYS 90 far 0 100 0 - 9.1-10.7 HG3 ARG 46 - HE2 LYS 53 far 0 66 0 - 9.7-16.5 Violated in 0 structures by 0.00 A. Peak 3993 from cnoeabs.peaks (1.83, 2.81, 41.80 ppm; 4.03 A): 4 out of 7 assignments used, quality = 1.00: * HB3 LYS 90 + HE2 LYS 90 OK 100 100 100 100 3.3-4.4 4.8=58, ~4005=44...(39) HB2 LYS 90 + HE2 LYS 90 OK 89 90 100 100 2.9-4.2 4.8=58, ~4005=44...(46) HB2 LYS 53 + HE2 LYS 53 OK 83 83 100 100 3.4-5.1 5.0=51, ~2451=46...(46) HB2 LYS 53 + HE3 LYS 53 OK 77 77 100 100 3.9-5.3 5.0=51, ~2451=46...(46) HB ILE 93 - HE2 LYS 90 far 0 75 0 - 7.4-8.4 HB2 GLU 104 - HE3 LYS 53 far 0 60 0 - 9.0-17.2 HB2 GLU 88 - HE2 LYS 90 far 0 85 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 3994 from cnoeabs.peaks (1.29, 2.81, 41.80 ppm; 4.31 A): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.7-4.0 3.8=100 HG LEU 3 + HE3 LYS 53 OK 29 74 40 99 4.6-7.3 ~9192=40, 2.1/8098=36...(22) HG LEU 3 + HE2 LYS 53 OK 24 81 30 99 3.8-7.3 ~9192=40, 2.1/8098=37...(22) Violated in 0 structures by 0.00 A. Peak 3995 from cnoeabs.peaks (1.58, 2.81, 41.80 ppm; 3.71 A): 3 out of 14 assignments used, quality = 1.00: * HG3 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.0-3.8 3.8=95, ~4005=50...(29) HD3 LYS 53 + HE2 LYS 53 OK 56 56 100 100 2.3-3.0 3.0=100 HD3 LYS 53 + HE3 LYS 53 OK 50 50 100 100 2.2-3.0 3.0=100 HB2 LEU 103 - HE3 LYS 53 far 4 78 5 - 4.9-13.3 HB2 LEU 103 - HE2 LYS 53 far 0 85 0 - 5.3-13.8 HB2 ARG 79 - HE3 LYS 53 far 0 71 0 - 5.5-10.2 HB2 LEU 3 - HE2 LYS 53 far 0 57 0 - 6.0-9.5 HD3 LYS 94 - HE2 LYS 90 far 0 97 0 - 6.4-9.8 HB2 LEU 3 - HE3 LYS 53 far 0 52 0 - 6.5-9.3 HB2 ARG 79 - HE2 LYS 53 far 0 77 0 - 6.6-9.7 HG LEU 103 - HE3 LYS 53 far 0 78 0 - 7.2-13.7 HG LEU 103 - HE2 LYS 53 far 0 85 0 - 7.4-13.4 HG2 ARG 19 - HE2 LYS 90 far 0 100 0 - 8.2-13.1 HG2 LYS 24 - HE2 LYS 90 far 0 100 0 - 8.2-12.7 Violated in 0 structures by 0.00 A. Peak 3996 from cnoeabs.peaks (1.74, 2.81, 41.80 ppm; 3.53 A): 1 out of 7 assignments used, quality = 1.00: * HD2 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 LEU 2 - HE3 LYS 53 far 0 41 0 - 5.4-11.9 HB2 LEU 2 - HE2 LYS 53 far 0 46 0 - 5.8-10.5 HD3 LYS 13 - HE2 LYS 90 far 0 63 0 - 6.6-13.3 HD2 LYS 13 - HE2 LYS 90 far 0 59 0 - 7.0-12.6 HG3 ARG 19 - HE2 LYS 90 far 0 91 0 - 9.5-12.7 HB ILE 15 - HE2 LYS 90 far 0 99 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 3997 from cnoeabs.peaks (1.70, 2.81, 41.80 ppm; 3.56 A): 3 out of 17 assignments used, quality = 1.00: * HD3 LYS 90 + HE2 LYS 90 OK 100 100 100 100 2.2-3.0 3.0=100 HB3 LYS 53 + HE2 LYS 53 OK 81 81 100 100 3.4-4.6 2451/3.0=59, 2440/3.0=40...(44) HB3 LYS 53 + HE3 LYS 53 OK 74 75 100 100 3.2-4.6 2451/3.0=59, 2440/3.0=40...(44) HG2 PRO 86 - HE2 LYS 90 far 5 100 5 - 5.0-6.6 HD3 LYS 20 - HE2 LYS 90 far 4 90 5 - 5.0-9.2 HG3 LYS 20 - HE2 LYS 90 far 0 90 0 - 5.1-9.6 HB2 LEU 2 - HE3 LYS 53 far 0 78 0 - 5.4-11.9 HB ILE 52 - HE2 LYS 53 far 0 65 0 - 5.5-9.1 HB ILE 52 - HE3 LYS 53 far 0 59 0 - 5.5-10.1 HB2 LEU 2 - HE2 LYS 53 far 0 84 0 - 5.8-10.5 HD2 LYS 20 - HE2 LYS 90 far 0 93 0 - 5.8-8.5 HB3 ARG 91 - HE2 LYS 90 far 0 97 0 - 6.0-8.8 HD3 LYS 13 - HE2 LYS 90 far 0 100 0 - 6.6-13.3 HD2 LYS 13 - HE2 LYS 90 far 0 100 0 - 7.0-12.6 HD3 LYS 24 - HE2 LYS 90 far 0 100 0 - 8.5-13.3 HD2 LYS 24 - HE2 LYS 90 far 0 100 0 - 9.9-13.7 HB ILE 15 - HE2 LYS 90 far 0 71 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 3998 from cnoeabs.peaks (2.81, 2.81, 41.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE2 LYS 90 + HE2 LYS 90 OK 100 100 - 100 HE2 LYS 53 + HE2 LYS 53 OK 74 74 - 100 HE3 LYS 53 + HE3 LYS 53 OK 64 64 - 100 Peak 3999 from cnoeabs.peaks (2.94, 2.81, 41.80 ppm; 2.59 A): 1 out of 14 assignments used, quality = 1.00: * HE3 LYS 90 + HE2 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 ASN 51 - HE3 LYS 53 far 0 75 0 - 4.3-8.7 HG2 MET 21 - HE2 LYS 90 far 0 100 0 - 4.4-8.3 HB2 ASN 51 - HE2 LYS 53 far 0 82 0 - 4.7-7.6 HE2 LYS 20 - HE2 LYS 90 far 0 87 0 - 4.9-10.2 HE3 LYS 94 - HE2 LYS 90 far 0 85 0 - 6.1-9.8 HE2 LYS 94 - HE2 LYS 90 far 0 96 0 - 6.3-9.8 HE3 LYS 20 - HE2 LYS 90 far 0 88 0 - 6.7-9.7 HE3 LYS 13 - HE2 LYS 90 far 0 90 0 - 7.0-12.7 HE2 LYS 13 - HE2 LYS 90 far 0 87 0 - 7.2-11.2 HE2 LYS 24 - HE2 LYS 90 far 0 84 0 - 8.1-13.0 HB3 PHE 45 - HE2 LYS 53 far 0 57 0 - 8.7-12.3 HE3 LYS 24 - HE2 LYS 90 far 0 84 0 - 9.4-13.2 HB3 PHE 45 - HE3 LYS 53 far 0 52 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 4001 from cnoeabs.peaks (8.05, 2.94, 41.80 ppm; 5.16 A): 7 out of 35 assignments used, quality = 1.00: * H LYS 90 + HE3 LYS 90 OK 100 100 100 100 4.2-5.6 7419/4005=86...(25) H LYS 13 + HE3 LYS 13 OK 54 55 100 100 4.6-5.2 6177/3.8=57, 7.3=35...(24) H LYS 13 + HE2 LYS 13 OK 51 51 100 100 4.8-6.0 6177/3.8=57, 7.3=35...(25) H GLU 17 + HE3 LYS 90 OK 47 95 65 77 4.4-8.2 6257/11024=27...(12) H GLU 17 + HE2 LYS 20 OK 47 65 95 76 4.7-7.0 6219/3.0=15...(17) H GLU 17 + HE3 LYS 20 OK 46 67 85 80 3.4-7.0 6219/3.0=15...(19) H GLU 16 + HE3 LYS 20 OK 21 51 55 74 5.1-9.0 3.0/853=12, 8473/3.6=11...(19) H LYS 13 - HE3 LYS 12 poor 14 40 35 - 6.0-7.1 H GLU 17 - HE3 LYS 13 poor 14 70 20 - 6.2-8.7 H LYS 90 - HE2 LYS 94 far 9 90 10 - 6.5-10.3 H GLU 16 - HE3 LYS 12 poor 8 39 20 - 6.1-8.7 H ILE 15 - HE3 LYS 13 far 6 56 10 - 6.6-8.2 H GLU 16 - HE2 LYS 20 far 5 49 10 - 6.1-9.3 H LYS 39 - HE2 LYS 73 far 3 53 5 - 6.4-11.9 H ILE 15 - HE3 LYS 90 far 0 81 0 - 6.7-11.5 H ILE 15 - HE3 LYS 12 far 0 42 0 - 6.7-8.8 H GLU 16 - HE3 LYS 90 far 0 77 0 - 6.8-10.8 H GLU 17 - HE2 LYS 13 far 0 65 0 - 6.8-8.9 H GLU 16 - HE3 LYS 13 far 0 53 0 - 6.9-8.5 H ILE 15 - HE2 LYS 13 far 0 52 0 - 6.9-7.5 H LYS 90 - HE3 LYS 94 far 0 71 0 - 6.9-10.6 H GLU 75 - HE3 LYS 73 far 0 72 0 - 7.0-8.7 H GLU 75 - HE2 LYS 73 far 0 65 0 - 7.2-9.2 H LYS 39 - HE3 LYS 73 far 0 59 0 - 7.3-11.3 H GLU 16 - HE2 LYS 13 far 0 49 0 - 7.5-8.7 H ILE 15 - HE3 LYS 20 far 0 54 0 - 7.8-11.4 H LYS 13 - HE3 LYS 90 far 0 79 0 - 8.2-13.3 H LYS 90 - HE3 LYS 13 far 0 78 0 - 8.3-12.7 H LYS 90 - HE2 LYS 13 far 0 73 0 - 8.4-11.2 H GLU 17 - HE3 LYS 12 far 0 53 0 - 8.4-11.2 H LYS 90 - HE3 LYS 20 far 0 76 0 - 8.5-11.2 H LYS 90 - HE2 LYS 20 far 0 73 0 - 8.6-11.7 H ILE 15 - HE2 LYS 20 far 0 52 0 - 8.7-11.4 H LYS 13 - HE3 LYS 20 far 0 53 0 - 9.1-12.5 H SER 102 - HE3 LYS 68 far 0 58 0 - 9.7-17.4 Violated in 0 structures by 0.00 A. Peak 4003 from cnoeabs.peaks (1.81, 2.94, 41.80 ppm; 4.06 A): 4 out of 46 assignments used, quality = 1.00: * HB2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 3.8-4.4 2.8/4005=69, 4.8=59...(40) HB3 LYS 90 + HE3 LYS 90 OK 89 90 100 100 3.6-4.8 2.8/4005=69, 4.8=59...(33) HB2 LYS 68 + HE2 LYS 68 OK 50 50 100 100 3.1-4.5 5.0=54, 3004/3.0=14...(71) HB2 LYS 68 + HE3 LYS 68 OK 46 46 100 100 2.6-4.3 5.0=54, 3004/3.0=14...(71) HB2 LYS 90 - HE2 LYS 94 poor 18 90 20 - 4.3-9.3 HB3 LYS 90 - HE3 LYS 94 poor 14 57 25 - 4.9-8.0 HB2 LYS 90 - HE3 LYS 94 far 11 71 15 - 5.3-9.7 HB3 LYS 90 - HE2 LYS 94 poor 5 76 30 23 4.7-8.2 ~3916=6, ~12322=5...(7) HB2 LYS 39 - HE2 LYS 73 far 4 86 5 - 5.5-10.1 HB2 GLU 104 - HE2 LYS 68 far 3 68 5 - 4.4-15.8 HB2 GLU 104 - HE3 LYS 68 far 3 63 5 - 3.7-17.2 HB ILE 93 - HE2 LYS 94 far 0 88 0 - 5.9-7.2 HB ILE 93 - HE3 LYS 94 far 0 68 0 - 5.9-7.4 HB3 LYS 90 - HE2 LYS 20 far 0 60 0 - 6.1-10.1 HB2 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.2-11.4 HB2 LYS 39 - HE3 LYS 73 far 0 93 0 - 6.3-10.3 HB2 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.3-10.5 HB3 LYS 90 - HE3 LYS 20 far 0 62 0 - 6.8-9.1 HB3 LYS 90 - HE2 LYS 24 far 0 55 0 - 7.0-11.9 HB2 GLU 104 - HE3 LYS 94 far 0 71 0 - 7.1-20.3 HB3 LYS 90 - HE3 LYS 24 far 0 55 0 - 7.1-11.6 HB ILE 93 - HE3 LYS 24 far 0 66 0 - 7.2-12.2 HB ILE 93 - HE3 LYS 90 far 0 99 0 - 7.2-9.0 HB2 GLU 88 - HE3 LYS 90 far 0 100 0 - 7.4-10.9 HB ILE 93 - HE2 LYS 24 far 0 66 0 - 7.7-12.3 HB2 LYS 90 - HE3 LYS 13 far 0 78 0 - 7.9-12.6 HB VAL 78 - HE3 LYS 68 far 0 39 0 - 7.9-11.2 HB2 LEU 42 - HE2 LYS 73 far 0 91 0 - 8.0-12.8 HB2 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.0-13.5 HB2 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.4-13.0 HB2 LEU 42 - HE3 LYS 73 far 0 97 0 - 8.4-12.5 HB2 LYS 90 - HE2 LYS 13 far 0 73 0 - 8.4-11.7 HB2 GLU 88 - HE2 LYS 13 far 0 73 0 - 8.6-13.3 HB2 LYS 68 - HE3 LYS 73 far 0 78 0 - 8.8-12.2 HB2 GLU 104 - HE2 LYS 94 far 0 90 0 - 8.8-19.9 HB VAL 78 - HE2 LYS 68 far 0 43 0 - 8.9-11.1 HB3 GLU 63 - HE2 LYS 68 far 0 40 0 - 9.2-13.1 HB2 GLU 88 - HE2 LYS 94 far 0 90 0 - 9.2-14.8 HB3 LYS 90 - HE3 LYS 13 far 0 64 0 - 9.3-14.1 HB3 GLU 63 - HE3 LYS 68 far 0 36 0 - 9.3-12.4 HB2 GLU 88 - HE3 LYS 94 far 0 71 0 - 9.4-14.6 HB ILE 93 - HE2 LYS 20 far 0 71 0 - 9.6-11.6 HB ILE 93 - HE3 LYS 20 far 0 73 0 - 9.6-11.5 HG3 ARG 46 - HE3 LYS 73 far 0 80 0 - 9.8-15.5 HB3 LEU 57 - HE3 LYS 90 far 0 98 0 - 9.9-12.3 HB3 LYS 90 - HE2 LYS 13 far 0 60 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 4004 from cnoeabs.peaks (1.83, 2.94, 41.80 ppm; 4.39 A): 8 out of 65 assignments used, quality = 1.00: * HB3 LYS 90 + HE3 LYS 90 OK 100 100 100 100 3.6-4.8 2.8/4005=78, 4.8=75...(32) HB2 LYS 90 + HE3 LYS 90 OK 90 90 100 100 3.8-4.4 2.8/4005=78, 4.8=75...(39) HB2 LYS 68 + HE2 LYS 68 OK 68 68 100 100 3.1-4.5 5.0=68, 3004/3.0=20...(71) HB2 LYS 68 + HE3 LYS 68 OK 62 62 100 100 2.6-4.3 5.0=68, 3004/3.0=20...(71) HB2 LYS 12 + HE3 LYS 12 OK 39 39 100 100 2.1-4.4 4.8=76, ~463=51, ~460=39...(67) HB3 LYS 12 + HE3 LYS 12 OK 37 37 100 100 3.3-5.1 4.8=76, ~463=51, ~460=39...(67) HB3 LYS 68 + HE2 LYS 68 OK 36 36 100 100 2.9-5.0 5.0=68, ~3055=16...(67) HB3 LYS 68 + HE3 LYS 68 OK 33 33 100 100 2.8-4.4 5.0=68, ~3055=16...(67) HB2 LYS 90 - HE2 LYS 94 poor 19 76 25 - 4.3-9.3 HB3 LYS 90 - HE3 LYS 94 poor 18 71 25 - 4.9-8.0 HB2 LYS 90 - HE3 LYS 94 poor 17 57 30 - 5.3-9.7 HB3 LYS 39 - HE3 LYS 73 far 8 75 10 - 5.3-9.9 HB3 LYS 90 - HE2 LYS 94 poor 7 90 30 26 4.7-8.2 ~3916=8, 10309/997=6...(5) HB3 LYS 39 - HE2 LYS 73 far 7 69 10 - 4.8-10.0 HB2 LYS 39 - HE2 LYS 73 far 3 55 5 - 5.5-10.1 HB2 GLU 104 - HE2 LYS 68 far 3 52 5 - 4.4-15.8 HB2 GLU 104 - HE3 LYS 68 far 2 47 5 - 3.7-17.2 HB3 GLU 104 - HE3 LYS 68 far 2 34 5 - 5.3-18.3 HB3 GLU 104 - HE2 LYS 68 far 0 37 0 - 5.9-17.0 HB ILE 93 - HE2 LYS 94 far 0 62 0 - 5.9-7.2 HB ILE 93 - HE3 LYS 94 far 0 46 0 - 5.9-7.4 HB3 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.1-10.1 HB2 LYS 90 - HE2 LYS 20 far 0 60 0 - 6.2-11.4 HB2 LYS 39 - HE3 LYS 73 far 0 61 0 - 6.3-10.3 HB2 LYS 90 - HE3 LYS 20 far 0 62 0 - 6.3-10.5 HB3 LYS 12 - HE3 LYS 13 far 0 50 0 - 6.7-7.8 HB3 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.8-9.1 HB3 LYS 90 - HE2 LYS 24 far 0 68 0 - 7.0-11.9 HB3 GLU 104 - HE3 LYS 94 far 0 39 0 - 7.0-21.0 HB2 GLU 104 - HE3 LYS 94 far 0 54 0 - 7.1-20.3 HB3 LYS 90 - HE3 LYS 24 far 0 68 0 - 7.1-11.6 HB ILE 93 - HE3 LYS 24 far 0 44 0 - 7.2-12.2 HB ILE 93 - HE3 LYS 90 far 0 75 0 - 7.2-9.0 HB3 LYS 12 - HE2 LYS 13 far 0 46 0 - 7.2-9.0 HB2 GLU 88 - HE3 LYS 90 far 0 85 0 - 7.4-10.9 HB3 LYS 66 - HE3 LYS 68 far 0 45 0 - 7.6-10.4 HB3 LYS 66 - HE2 LYS 68 far 0 49 0 - 7.7-11.0 HB ILE 93 - HE2 LYS 24 far 0 44 0 - 7.7-12.3 HB2 LYS 90 - HE3 LYS 13 far 0 64 0 - 7.9-12.6 HB2 LEU 42 - HE2 LYS 73 far 0 70 0 - 8.0-12.8 HB2 LYS 90 - HE2 LYS 24 far 0 55 0 - 8.0-13.5 HB2 LYS 12 - HE3 LYS 20 far 0 51 0 - 8.1-12.2 HB2 LYS 12 - HE3 LYS 13 far 0 53 0 - 8.2-9.1 HB2 LYS 90 - HE3 LYS 24 far 0 55 0 - 8.4-13.0 HB2 LEU 42 - HE3 LYS 73 far 0 77 0 - 8.4-12.5 HB2 LYS 90 - HE2 LYS 13 far 0 60 0 - 8.4-11.7 HB2 GLU 88 - HE2 LYS 13 far 0 56 0 - 8.6-13.3 HB3 GLU 104 - HE2 LYS 94 far 0 53 0 - 8.7-20.8 HB2 LYS 12 - HE2 LYS 13 far 0 49 0 - 8.7-10.1 HB2 LYS 68 - HE3 LYS 73 far 0 97 0 - 8.8-12.2 HB2 GLU 104 - HE2 LYS 94 far 0 72 0 - 8.8-19.9 HB3 LYS 12 - HE3 LYS 20 far 0 48 0 - 9.1-13.0 HB2 GLU 88 - HE2 LYS 94 far 0 72 0 - 9.2-14.8 HB3 LYS 90 - HE3 LYS 13 far 0 78 0 - 9.3-14.1 HB3 LYS 68 - HE3 LYS 73 far 0 59 0 - 9.3-11.7 HB2 GLU 88 - HE3 LYS 94 far 0 54 0 - 9.4-14.6 HB3 LYS 66 - HE2 LYS 73 far 0 70 0 - 9.5-13.5 HB3 LYS 68 - HE2 LYS 73 far 0 53 0 - 9.6-12.5 HB ILE 93 - HE2 LYS 20 far 0 48 0 - 9.6-11.6 HB ILE 93 - HE3 LYS 20 far 0 50 0 - 9.6-11.5 HB3 LYS 66 - HE3 LYS 73 far 0 77 0 - 9.6-13.0 HB2 LYS 12 - HE2 LYS 20 far 0 49 0 - 9.7-13.0 HB VAL 5 - HE3 LYS 20 far 0 55 0 - 9.7-12.9 HB3 LEU 57 - HE3 LYS 90 far 0 99 0 - 9.9-12.3 HB3 LYS 90 - HE2 LYS 13 far 0 73 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 4005 from cnoeabs.peaks (1.29, 2.94, 41.80 ppm; 3.66 A): 1 out of 11 assignments used, quality = 1.00: * HG2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.2-3.9 3.8=91, ~3995=23...(40) HG2 LYS 90 - HE2 LYS 94 far 9 90 10 - 4.2-9.4 HG2 LYS 90 - HE3 LYS 94 far 7 71 10 - 4.9-9.2 HG2 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.7-11.3 HG2 LYS 90 - HE2 LYS 13 far 0 73 0 - 7.4-11.9 HG2 LYS 90 - HE3 LYS 20 far 0 76 0 - 7.9-11.0 HG2 LYS 90 - HE3 LYS 13 far 0 78 0 - 8.3-13.4 HB3 LEU 42 - HE2 LYS 73 far 0 84 0 - 8.8-13.7 HB3 LEU 42 - HE3 LYS 73 far 0 91 0 - 9.3-13.4 HG2 LYS 90 - HE2 LYS 24 far 0 68 0 - 9.6-14.1 HG2 LYS 90 - HE3 LYS 24 far 0 68 0 - 9.8-13.9 Violated in 4 structures by 0.02 A. Peak 4006 from cnoeabs.peaks (1.58, 2.94, 41.80 ppm; 3.06 A): 8 out of 55 assignments used, quality = 1.00: * HG3 LYS 90 + HE3 LYS 90 OK 93 100 100 93 2.0-3.1 3.8=53, 1.8/4005=51...(19) HG3 LYS 73 + HE3 LYS 73 OK 89 93 100 96 2.0-3.2 4.0=45, 3298/3.0=20...(78) HD3 LYS 94 + HE2 LYS 94 OK 85 85 100 100 2.2-3.0 3.0=100 HG3 LYS 73 + HE2 LYS 73 OK 83 86 100 96 2.1-3.8 4.0=45, 3298/3.0=20...(78) HG2 LYS 24 + HE2 LYS 24 OK 66 68 100 97 2.0-4.1 3.7=56, 1121/3.0=11...(74) HG2 LYS 24 + HE3 LYS 24 OK 66 68 100 97 2.0-4.2 3.7=56, 1121/3.0=11...(73) HD3 LYS 94 + HE3 LYS 94 OK 65 65 100 100 2.4-3.0 3.0=100 HG3 LYS 12 + HE3 LYS 12 OK 53 57 100 93 2.2-4.1 4.0=46, ~463=34, ~423=17...(37) HG2 LYS 24 - HE2 LYS 94 far 14 90 15 - 3.1-11.5 HG2 ARG 19 - HE3 LYS 20 far 4 76 5 - 3.9-9.2 HG3 LYS 90 - HE3 LYS 94 far 4 71 5 - 4.2-9.3 HG2 LYS 24 - HE3 LYS 94 far 4 71 5 - 4.4-11.1 HD3 LYS 94 - HE3 LYS 24 far 3 63 5 - 4.0-11.5 HG LEU 103 - HE2 LYS 68 far 0 68 0 - 4.7-19.2 HB2 ARG 79 - HE3 LYS 68 far 0 56 0 - 4.8-11.3 HG LEU 103 - HE3 LYS 68 far 0 63 0 - 4.9-21.0 HD3 LYS 94 - HE3 LYS 90 far 0 97 0 - 5.0-10.8 HD3 LYS 94 - HE2 LYS 24 far 0 63 0 - 5.0-12.0 HG3 LYS 90 - HE2 LYS 20 far 0 73 0 - 5.1-10.0 HG3 LYS 90 - HE2 LYS 94 far 0 90 0 - 5.3-8.9 HG2 ARG 19 - HE2 LYS 20 far 0 73 0 - 5.5-9.9 HB2 ARG 79 - HE2 LYS 68 far 0 61 0 - 6.0-11.8 HB2 LEU 103 - HE3 LYS 68 far 0 63 0 - 6.5-19.0 HB3 LEU 29 - HE3 LYS 20 far 0 72 0 - 6.6-10.9 HG2 LYS 24 - HE3 LYS 20 far 0 76 0 - 6.6-11.6 HG2 LYS 24 - HE2 LYS 20 far 0 73 0 - 6.6-10.5 HG3 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.7-10.5 HB2 LEU 103 - HE2 LYS 68 far 0 68 0 - 6.7-17.6 HG LEU 27 - HE2 LYS 94 far 0 85 0 - 7.1-12.1 HG3 LYS 12 - HE3 LYS 13 far 0 75 0 - 7.3-9.6 HG3 LYS 90 - HE2 LYS 13 far 0 73 0 - 7.5-12.5 HG3 LYS 90 - HE3 LYS 13 far 0 78 0 - 7.5-13.7 HG LEU 27 - HE2 LYS 24 far 0 63 0 - 7.6-10.8 HG LEU 27 - HE3 LYS 24 far 0 63 0 - 7.8-10.8 HB3 LEU 29 - HE2 LYS 20 far 0 69 0 - 7.9-11.5 HG3 LYS 12 - HE2 LYS 13 far 0 70 0 - 8.1-10.5 HG3 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.3-12.9 HD2 LYS 66 - HE3 LYS 73 far 0 90 0 - 8.3-12.7 HG2 LYS 33 - HE3 LYS 12 far 0 32 0 - 8.3-13.3 HG2 ARG 19 - HE3 LYS 90 far 0 100 0 - 8.4-14.0 HG LEU 27 - HE3 LYS 94 far 0 65 0 - 8.4-12.5 HG3 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.8-13.3 HG2 ARG 19 - HE3 LYS 12 far 0 60 0 - 8.8-13.4 HD2 LYS 66 - HE2 LYS 73 far 0 83 0 - 9.1-14.3 HD3 LYS 82 - HE2 LYS 68 far 0 59 0 - 9.2-13.1 HG3 LYS 12 - HE3 LYS 20 far 0 73 0 - 9.2-14.9 HG2 LYS 24 - HE3 LYS 90 far 0 100 0 - 9.2-14.0 HG3 LYS 73 - HE2 LYS 68 far 0 63 0 - 9.2-13.2 HD3 LYS 82 - HE3 LYS 68 far 0 54 0 - 9.3-13.0 HD3 LYS 94 - HE2 LYS 20 far 0 68 0 - 9.4-13.1 HD2 LYS 66 - HE3 LYS 68 far 0 55 0 - 9.5-12.9 HG3 LYS 73 - HE3 LYS 68 far 0 58 0 - 9.5-13.1 HD2 LYS 66 - HE2 LYS 68 far 0 60 0 - 9.5-13.5 HG3 LYS 12 - HE2 LYS 20 far 0 70 0 - 9.9-15.3 HB2 LEU 103 - HE2 LYS 94 far 0 90 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 4007 from cnoeabs.peaks (1.74, 2.94, 41.80 ppm; 3.42 A): 7 out of 58 assignments used, quality = 1.00: * HD2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 13 + HE3 LYS 13 OK 43 43 100 100 2.2-3.0 2.9=100 HD2 LYS 13 + HE3 LYS 13 OK 40 40 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HE2 LYS 13 OK 39 39 100 100 2.2-2.9 2.9=100 HD2 LYS 13 + HE2 LYS 13 OK 36 36 100 100 2.2-3.0 2.9=100 HD2 LYS 12 + HE3 LYS 12 OK 29 29 100 100 2.2-3.0 3.0=100 HD3 LYS 12 + HE3 LYS 12 OK 29 29 100 100 2.3-3.0 3.0=100 HG3 ARG 19 - HE3 LYS 20 poor 13 63 20 - 4.8-9.2 HB3 LEU 70 - HE3 LYS 73 far 8 82 10 - 4.6-7.4 HB3 LEU 70 - HE2 LYS 73 far 7 75 10 - 3.3-8.1 HD2 LYS 90 - HE2 LYS 94 far 5 90 5 - 4.5-10.9 HB ILE 15 - HE3 LYS 12 far 3 57 5 - 4.7-7.2 HD3 LYS 13 - HE3 LYS 90 far 0 63 0 - 5.1-12.8 HG3 ARG 19 - HE2 LYS 20 far 0 61 0 - 5.2-10.0 HD2 LYS 13 - HE3 LYS 90 far 0 59 0 - 5.2-12.7 HD2 LYS 90 - HE3 LYS 94 far 0 71 0 - 5.4-10.9 HD2 LYS 90 - HE3 LYS 20 far 0 76 0 - 5.6-11.0 HD2 ARG 81 - HE2 LYS 68 far 0 63 0 - 5.8-10.7 HD2 LYS 90 - HE2 LYS 13 far 0 73 0 - 6.4-12.8 HD2 LYS 90 - HE3 LYS 13 far 0 78 0 - 6.5-12.8 HD2 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.6-11.4 HD2 ARG 81 - HE3 LYS 68 far 0 58 0 - 6.8-11.3 HD2 LYS 33 - HE3 LYS 12 far 0 54 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 54 0 - 7.2-12.0 HB ILE 15 - HE3 LYS 20 far 0 73 0 - 7.2-11.5 HD3 LYS 66 - HE3 LYS 73 far 0 57 0 - 7.2-11.1 HB ILE 56 - HE2 LYS 68 far 0 53 0 - 7.2-10.2 HB ILE 56 - HE3 LYS 68 far 0 48 0 - 7.3-9.7 HD2 LYS 90 - HE2 LYS 24 far 0 68 0 - 7.4-15.0 HD3 LYS 12 - HE3 LYS 20 far 0 38 0 - 7.5-15.2 HD2 LYS 90 - HE3 LYS 24 far 0 68 0 - 7.6-15.4 HD2 LYS 12 - HE3 LYS 20 far 0 38 0 - 7.8-14.2 HD3 LYS 66 - HE2 LYS 73 far 0 51 0 - 7.9-12.7 HD3 LYS 66 - HE3 LYS 68 far 0 31 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 36 0 - 8.0-16.0 HD2 LYS 13 - HE3 LYS 12 far 0 29 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 31 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 40 0 - 8.2-11.5 HD2 LYS 12 - HE2 LYS 20 far 0 36 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 35 0 - 8.2-11.8 HB2 LYS 66 - HE2 LYS 73 far 0 70 0 - 8.2-12.6 HB3 LYS 82 - HE2 LYS 68 far 0 52 0 - 8.2-12.1 HB ILE 15 - HE2 LYS 20 far 0 70 0 - 8.3-11.7 HD3 LYS 12 - HE2 LYS 13 far 0 36 0 - 8.3-12.3 HB2 LYS 66 - HE3 LYS 68 far 0 45 0 - 8.4-11.2 HB2 LYS 66 - HE2 LYS 68 far 0 49 0 - 8.5-11.9 HB ILE 15 - HE3 LYS 13 far 0 75 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 99 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 36 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 40 0 - 8.6-10.9 HG3 ARG 19 - HE3 LYS 12 far 0 49 0 - 8.7-13.7 HB ILE 15 - HE2 LYS 13 far 0 70 0 - 8.9-9.4 HB2 LYS 66 - HE3 LYS 73 far 0 77 0 - 8.9-11.8 HB3 LYS 82 - HE3 LYS 68 far 0 47 0 - 8.9-11.9 HB3 GLU 63 - HE2 LYS 68 far 0 33 0 - 9.2-13.1 HB3 GLU 63 - HE3 LYS 68 far 0 30 0 - 9.3-12.4 HG3 ARG 19 - HE3 LYS 90 far 0 91 0 - 9.4-13.4 HD3 LYS 13 - HE3 LYS 20 far 0 41 0 - 9.6-14.9 Violated in 0 structures by 0.00 A. Peak 4008 from cnoeabs.peaks (1.70, 2.94, 41.80 ppm; 3.00 A): 21 out of 106 assignments used, quality = 1.00: * HD3 LYS 90 + HE3 LYS 90 OK 100 100 100 100 2.6-3.0 3.0=100 HD2 LYS 13 + HE3 LYS 13 OK 78 78 100 100 2.3-3.0 2.9=100 HD3 LYS 13 + HE3 LYS 13 OK 77 77 100 100 2.2-3.0 2.9=100 HD2 LYS 73 + HE3 LYS 73 OK 74 74 100 100 2.3-2.9 3.0=100 HD2 LYS 13 + HE2 LYS 13 OK 73 73 100 100 2.2-3.0 2.9=100 HD3 LYS 13 + HE2 LYS 13 OK 72 72 100 100 2.2-2.9 2.9=100 HD3 LYS 73 + HE3 LYS 73 OK 70 70 100 100 2.7-3.0 3.0=100 HD3 LYS 24 + HE2 LYS 24 OK 68 68 100 100 2.2-3.0 3.0=100 HD3 LYS 24 + HE3 LYS 24 OK 68 68 100 100 2.6-3.0 3.0=100 HD2 LYS 24 + HE3 LYS 24 OK 68 68 100 100 2.2-3.0 3.0=100 HD2 LYS 24 + HE2 LYS 24 OK 68 68 100 100 2.6-3.0 3.0=100 HD2 LYS 73 + HE2 LYS 73 OK 67 67 100 100 2.7-3.0 3.0=100 HD2 LYS 20 + HE3 LYS 20 OK 65 65 100 100 2.2-3.0 3.0=100 HD3 LYS 73 + HE2 LYS 73 OK 64 64 100 100 2.2-2.6 3.0=100 HD2 LYS 20 + HE2 LYS 20 OK 63 63 100 100 2.2-3.0 3.0=100 HD3 LYS 20 + HE3 LYS 20 OK 62 62 100 100 2.4-3.0 3.0=100 HD3 LYS 20 + HE2 LYS 20 OK 60 60 100 100 2.3-3.0 3.0=100 HD2 LYS 12 + HE3 LYS 12 OK 60 60 100 100 2.2-3.0 3.0=100 HD3 LYS 12 + HE3 LYS 12 OK 60 60 100 100 2.3-3.0 3.0=100 HG3 LYS 20 + HE3 LYS 20 OK 59 62 100 96 2.5-4.1 3.6=60, 893/6314=7...(76) HG3 LYS 20 + HE2 LYS 20 OK 57 60 100 96 2.4-3.8 3.6=60, 893/6314=7...(76) HG2 PRO 86 - HE2 LYS 13 poor 13 73 85 22 2.0-5.3 ~3842=3, ~3802=3...(10) HB3 ARG 91 - HE2 LYS 94 poor 12 85 50 29 2.8-9.1 1820/3.9=4, 1820/3.9=3...(13) HG2 PRO 86 - HE3 LYS 13 poor 12 78 75 20 2.2-6.4 ~3842=3, ~3802=3...(10) HG2 PRO 86 - HE3 LYS 90 poor 12 100 45 26 4.0-8.1 ~12334=6, ~3842=5...(9) HB3 ARG 91 - HE3 LYS 94 poor 8 65 45 29 2.9-8.3 1820/3.9=4, 1820/3.9=3...(12) HB3 LEU 70 - HE2 LYS 73 far 8 81 10 - 3.3-8.1 HD2 LYS 20 - HE3 LYS 90 far 5 93 5 - 4.4-9.9 HD3 LYS 24 - HE2 LYS 94 far 5 90 5 - 3.7-12.9 HD3 LYS 90 - HE2 LYS 94 far 5 90 5 - 4.1-10.1 HD2 LYS 24 - HE2 LYS 94 far 5 90 5 - 4.0-12.2 HG LEU 70 - HE2 LYS 73 far 0 92 0 - 4.6-9.2 HD3 LYS 24 - HE2 LYS 20 far 0 73 0 - 4.6-10.4 HB3 LEU 70 - HE3 LYS 73 far 0 88 0 - 4.6-7.4 HB ILE 15 - HE3 LYS 12 far 0 36 0 - 4.7-7.2 HD3 LYS 90 - HE3 LYS 94 far 0 71 0 - 4.9-10.3 HD3 LYS 24 - HE3 LYS 94 far 0 71 0 - 5.0-13.8 HD3 LYS 13 - HE3 LYS 90 far 0 100 0 - 5.1-12.8 HG3 LYS 20 - HE3 LYS 90 far 0 90 0 - 5.1-10.9 HD2 LYS 13 - HE3 LYS 90 far 0 100 0 - 5.2-12.7 HD3 LYS 24 - HE3 LYS 20 far 0 76 0 - 5.4-11.7 HD2 LYS 24 - HE3 LYS 94 far 0 71 0 - 5.5-13.1 HD3 LYS 20 - HE3 LYS 90 far 0 90 0 - 5.5-10.8 HB3 ARG 91 - HE3 LYS 90 far 0 97 0 - 5.7-9.5 HD2 ARG 81 - HE2 LYS 68 far 0 47 0 - 5.8-10.7 HD2 LYS 24 - HE2 LYS 20 far 0 73 0 - 6.0-11.5 HG3 LYS 20 - HE2 LYS 24 far 0 55 0 - 6.1-10.9 HG12 ILE 15 - HE3 LYS 12 far 0 60 0 - 6.2-9.4 HG LEU 70 - HE3 LYS 73 far 0 97 0 - 6.3-8.6 HD3 LYS 90 - HE2 LYS 20 far 0 73 0 - 6.4-11.9 HD3 LYS 90 - HE3 LYS 13 far 0 78 0 - 6.6-12.7 HD2 LYS 24 - HE3 LYS 20 far 0 76 0 - 6.7-12.9 HD2 ARG 81 - HE3 LYS 68 far 0 42 0 - 6.8-11.3 HG3 LYS 20 - HE3 LYS 24 far 0 55 0 - 6.8-10.4 HD2 LYS 33 - HE3 LYS 12 far 0 42 0 - 6.9-12.4 HD3 LYS 33 - HE3 LYS 12 far 0 42 0 - 7.2-12.0 HD3 LYS 90 - HE3 LYS 20 far 0 76 0 - 7.2-11.1 HB ILE 15 - HE3 LYS 20 far 0 47 0 - 7.2-11.5 HD3 LYS 66 - HE3 LYS 73 far 0 97 0 - 7.2-11.1 HD3 LYS 90 - HE2 LYS 13 far 0 73 0 - 7.3-12.5 HD3 LYS 12 - HE3 LYS 20 far 0 75 0 - 7.5-15.2 HD3 LYS 20 - HE2 LYS 24 far 0 55 0 - 7.6-12.5 HG3 LYS 20 - HE3 LYS 94 far 0 57 0 - 7.6-14.1 HG3 LYS 20 - HE2 LYS 94 far 0 76 0 - 7.6-14.0 HD2 LYS 12 - HE3 LYS 20 far 0 75 0 - 7.8-14.2 HG2 PRO 86 - HE3 LYS 20 far 0 75 0 - 7.8-12.5 HD3 LYS 66 - HE2 LYS 73 far 0 91 0 - 7.9-12.7 HD3 LYS 66 - HE3 LYS 68 far 0 62 0 - 8.0-11.5 HD3 LYS 12 - HE2 LYS 20 far 0 73 0 - 8.0-16.0 HD2 LYS 13 - HE3 LYS 12 far 0 60 0 - 8.1-11.2 HD3 LYS 13 - HE3 LYS 12 far 0 59 0 - 8.1-11.3 HD3 LYS 12 - HE3 LYS 13 far 0 78 0 - 8.2-11.5 HD2 LYS 12 - HE2 LYS 20 far 0 73 0 - 8.2-14.3 HD3 LYS 66 - HE2 LYS 68 far 0 67 0 - 8.2-11.8 HB ILE 15 - HE2 LYS 20 far 0 45 0 - 8.3-11.7 HD3 LYS 12 - HE2 LYS 13 far 0 73 0 - 8.3-12.3 HG LEU 70 - HE3 LYS 68 far 0 63 0 - 8.3-11.1 HD3 LYS 24 - HE3 LYS 90 far 0 100 0 - 8.4-14.7 HG LEU 70 - HE2 LYS 68 far 0 68 0 - 8.5-11.3 HB ILE 15 - HE3 LYS 13 far 0 49 0 - 8.5-9.6 HB ILE 15 - HE3 LYS 90 far 0 71 0 - 8.6-13.1 HD2 LYS 12 - HE2 LYS 13 far 0 73 0 - 8.6-11.7 HD2 LYS 12 - HE3 LYS 13 far 0 78 0 - 8.6-10.9 HD2 LYS 20 - HE2 LYS 24 far 0 58 0 - 8.7-13.2 HG12 ILE 15 - HE3 LYS 90 far 0 100 0 - 8.7-13.2 HD3 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.7-14.4 HD3 LYS 90 - HE3 LYS 24 far 0 68 0 - 8.8-14.7 HB ILE 15 - HE2 LYS 13 far 0 45 0 - 8.9-9.4 HG12 ILE 15 - HE3 LYS 13 far 0 78 0 - 9.0-10.6 HD3 LYS 20 - HE3 LYS 13 far 0 64 0 - 9.0-13.2 HG12 ILE 15 - HE3 LYS 20 far 0 76 0 - 9.1-12.9 HG12 ILE 15 - HE2 LYS 13 far 0 73 0 - 9.1-9.9 HD3 LYS 20 - HE3 LYS 24 far 0 55 0 - 9.1-11.9 HD2 LYS 20 - HE3 LYS 13 far 0 68 0 - 9.2-12.0 HD2 LYS 20 - HE2 LYS 94 far 0 80 0 - 9.3-13.6 HD3 LYS 20 - HE2 LYS 94 far 0 76 0 - 9.4-14.0 HD2 LYS 20 - HE3 LYS 24 far 0 58 0 - 9.4-12.7 HG2 PRO 86 - HE2 LYS 20 far 0 73 0 - 9.5-13.1 HD2 LYS 20 - HE3 LYS 12 far 0 51 0 - 9.5-14.2 HD2 LYS 24 - HE3 LYS 90 far 0 100 0 - 9.6-15.2 HD3 LYS 13 - HE3 LYS 20 far 0 75 0 - 9.6-14.9 HB3 ARG 91 - HE3 LYS 24 far 0 63 0 - 9.6-16.1 HD3 LYS 20 - HE3 LYS 94 far 0 57 0 - 9.7-14.2 HD2 LYS 20 - HE2 LYS 13 far 0 63 0 - 9.7-12.4 HD3 LYS 20 - HE2 LYS 13 far 0 60 0 - 9.9-13.7 HG12 ILE 15 - HE2 LYS 20 far 0 73 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 4009 from cnoeabs.peaks (2.81, 2.94, 41.80 ppm; 2.49 A): 1 out of 9 assignments used, quality = 1.00: * HE2 LYS 90 + HE3 LYS 90 OK 100 100 100 100 1.8-1.8 1.8=100 HE2 LYS 90 - HE2 LYS 20 far 0 73 0 - 4.9-10.2 HE2 LYS 90 - HE3 LYS 94 far 0 71 0 - 6.1-9.8 HE2 LYS 90 - HE2 LYS 94 far 0 90 0 - 6.3-9.8 HE2 LYS 90 - HE3 LYS 20 far 0 76 0 - 6.7-9.7 HE2 LYS 90 - HE3 LYS 13 far 0 78 0 - 7.0-12.7 HE2 LYS 90 - HE2 LYS 13 far 0 73 0 - 7.2-11.2 HE2 LYS 90 - HE2 LYS 24 far 0 68 0 - 8.1-13.0 HE2 LYS 90 - HE3 LYS 24 far 0 68 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 4010 from cnoeabs.peaks (2.94, 2.94, 41.80 ppm; diagonal): 14 out of 14 assignments used, quality = 1.00: * HE3 LYS 90 + HE3 LYS 90 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 95 95 - 100 HE2 LYS 73 + HE2 LYS 73 OK 85 85 - 100 HE2 LYS 94 + HE2 LYS 94 OK 83 83 - 100 HE3 LYS 13 + HE3 LYS 13 OK 64 64 - 100 HE3 LYS 20 + HE3 LYS 20 OK 61 61 - 100 HE2 LYS 13 + HE2 LYS 13 OK 57 57 - 100 HE2 LYS 20 + HE2 LYS 20 OK 57 57 - 100 HE3 LYS 94 + HE3 LYS 94 OK 54 54 - 100 HE2 LYS 68 + HE2 LYS 68 OK 50 50 - 100 HE2 LYS 24 + HE2 LYS 24 OK 50 50 - 100 HE3 LYS 24 + HE3 LYS 24 OK 50 50 - 100 HE3 LYS 68 + HE3 LYS 68 OK 44 44 - 100 HE3 LYS 12 + HE3 LYS 12 OK 40 40 - 100 Peak 4012 from cnoeabs.peaks (7.47, 3.89, 59.16 ppm; 3.47 A): 3 out of 8 assignments used, quality = 1.00: * H ARG 91 + HA ARG 91 OK 100 100 100 100 2.8-2.9 3.0=100 HE ARG 46 + HA GLU 43 OK 83 99 95 88 2.0-5.5 2.9/10171=39...(18) H LYS 47 + HA GLU 43 OK 71 99 85 84 3.9-5.1 6757=27, 6761/6738=23...(14) HE ARG 46 - HA LYS 40 far 0 67 0 - 5.8-10.5 H LYS 47 - HA LYS 40 far 0 67 0 - 8.1-9.5 HE3 TRP 92 - HA ARG 91 far 0 59 0 - 8.6-8.8 HZ2 TRP 92 - HA ARG 91 far 0 91 0 - 9.0-9.8 H ILE 52 - HA GLU 43 far 0 85 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 4013 from cnoeabs.peaks (3.89, 3.89, 59.16 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA ARG 91 + HA ARG 91 OK 100 100 - 100 HA GLU 35 + HA GLU 35 OK 100 100 - 100 HA GLU 43 + HA GLU 43 OK 99 99 - 100 HA LYS 40 + HA LYS 40 OK 53 53 - 100 Peak 4014 from cnoeabs.peaks (1.49, 3.89, 59.16 ppm; 3.13 A): 7 out of 28 assignments used, quality = 1.00: * HB2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.5-3.0 3.0=100 HG3 ARG 91 + HA ARG 91 OK 67 70 100 97 3.1-3.4 4.0=48, 1.8/4016=31...(26) HG LEU 38 + HA GLU 35 OK 60 81 90 82 2.5-5.2 2.1/10168=23...(25) HD3 LYS 40 + HA LYS 40 OK 50 55 100 90 3.8-4.1 5.2=21, 1824/3.8=16...(25) HD2 LYS 40 + HA LYS 40 OK 49 54 100 90 3.6-4.2 5.2=21, 1824/3.8=16...(25) HB2 LEU 38 + HA GLU 35 OK 42 74 65 87 1.9-5.3 3.8/12057=29...(29) HG3 LYS 66 + HA GLU 35 OK 23 99 35 66 2.5-6.8 3.0/2884=10, 3.0/2896=8...(23) HG2 LYS 66 - HA GLU 35 far 15 99 15 - 2.7-7.6 HG2 LYS 47 - HA GLU 43 far 5 99 5 - 4.6-8.0 HD3 LYS 40 - HA GLU 43 far 0 89 0 - 7.3-9.5 HG LEU 38 - HA LYS 40 far 0 48 0 - 7.3-9.8 HB2 LEU 38 - HA LYS 40 far 0 43 0 - 7.4-7.9 HB3 LEU 103 - HA ARG 91 far 0 63 0 - 7.6-18.8 HG13 ILE 52 - HA GLU 43 far 0 77 0 - 7.6-10.9 HG3 LYS 33 - HA GLU 35 far 0 93 0 - 7.9-8.7 HD2 LYS 40 - HA GLU 43 far 0 88 0 - 8.0-9.1 HG LEU 57 - HA ARG 91 far 0 96 0 - 8.0-8.6 HG2 LYS 47 - HA LYS 40 far 0 67 0 - 8.1-11.4 HD3 LYS 40 - HA GLU 35 far 0 89 0 - 8.9-11.5 HG LEU 6 - HA LYS 40 far 0 33 0 - 9.0-11.2 HG3 LYS 24 - HA ARG 91 far 0 90 0 - 9.1-12.4 HG2 LYS 20 - HA ARG 91 far 0 79 0 - 9.1-12.2 HB2 LEU 38 - HA GLU 43 far 0 73 0 - 9.3-10.9 HG2 LYS 73 - HA GLU 35 far 0 99 0 - 9.3-11.7 HD2 LYS 40 - HA GLU 35 far 0 88 0 - 9.4-11.4 HG LEU 6 - HA GLU 35 far 0 58 0 - 9.4-11.6 HG LEU 6 - HA GLU 43 far 0 58 0 - 9.5-11.7 HG LEU 38 - HA GLU 43 far 0 80 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 4015 from cnoeabs.peaks (1.68, 3.89, 59.16 ppm; 2.98 A): 4 out of 32 assignments used, quality = 1.00: * HB3 ARG 91 + HA ARG 91 OK 100 100 100 100 2.4-3.0 3.0=98, 7458/3.6=31...(27) HB3 LYS 40 + HA LYS 40 OK 67 67 100 100 3.0-3.0 3.0=97, 1795/2.9=42...(31) HG LEU 70 + HA GLU 35 OK 41 94 65 66 4.0-5.1 2.1/9541=14...(25) HB2 LYS 40 + HA LYS 40 OK 37 37 100 100 2.4-2.6 3.0=97, 1783/2.9=24...(25) HD3 LYS 90 - HA ARG 91 poor 19 97 20 - 3.4-6.3 HD3 LYS 66 - HA GLU 35 poor 18 92 20 - 4.0-6.7 HD2 LYS 39 - HA GLU 35 far 8 79 10 - 4.4-6.7 HD2 LYS 39 - HA LYS 40 far 2 47 5 - 3.2-7.7 HD3 LYS 47 - HA GLU 43 far 0 99 0 - 5.0-7.9 HB3 LEU 70 - HA GLU 35 far 0 70 0 - 5.1-6.5 HD2 LYS 47 - HA GLU 43 far 0 99 0 - 5.5-8.4 HB ILE 76 - HA GLU 43 far 0 60 0 - 5.7-7.2 HD3 LYS 47 - HA LYS 40 far 0 67 0 - 6.9-10.7 HB3 LEU 70 - HA LYS 40 far 0 41 0 - 7.0-8.3 HB2 LYS 40 - HA GLU 43 far 0 64 0 - 7.4-8.1 HB3 LYS 40 - HA GLU 43 far 0 99 0 - 7.5-8.2 HB2 LYS 40 - HA GLU 35 far 0 64 0 - 7.6-8.5 HD2 LYS 47 - HA LYS 40 far 0 67 0 - 7.6-10.9 HD2 LYS 39 - HA GLU 43 far 0 79 0 - 7.7-9.8 HB3 LEU 70 - HA GLU 43 far 0 70 0 - 7.7-9.2 HB3 LYS 40 - HA GLU 35 far 0 100 0 - 7.7-8.6 HD2 LYS 73 - HA GLU 35 far 0 95 0 - 8.1-10.6 HD3 LYS 73 - HA GLU 35 far 0 94 0 - 8.5-11.2 HG3 LYS 20 - HA ARG 91 far 0 99 0 - 8.6-12.8 HB ILE 76 - HA LYS 40 far 0 34 0 - 9.0-10.8 HB ILE 52 - HA GLU 43 far 0 97 0 - 9.0-11.2 HD2 LYS 24 - HA ARG 91 far 0 98 0 - 9.1-13.6 HD3 LYS 24 - HA ARG 91 far 0 97 0 - 9.2-14.0 HG LEU 70 - HA LYS 40 far 0 60 0 - 9.3-10.5 HD2 LYS 20 - HA ARG 91 far 0 100 0 - 9.5-13.2 HB3 LEU 6 - HA GLU 35 far 0 68 0 - 9.6-10.7 HD2 LYS 73 - HA LYS 40 far 0 61 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 4016 from cnoeabs.peaks (1.08, 3.89, 59.16 ppm; 3.90 A): 2 out of 4 assignments used, quality = 1.00: * HG2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.4-3.8 4.0=93, 7444/3.0=50...(41) HG12 ILE 76 + HA GLU 43 OK 52 97 60 89 4.7-5.8 4045=36, 2.1/10609=22...(22) HG12 ILE 52 - HA GLU 43 far 0 64 0 - 7.5-10.8 HG12 ILE 76 - HA LYS 40 far 0 64 0 - 8.6-10.0 Violated in 0 structures by 0.00 A. Peak 4017 from cnoeabs.peaks (1.45, 3.89, 59.16 ppm; 3.01 A): 7 out of 25 assignments used, quality = 1.00: * HG3 ARG 91 + HA ARG 91 OK 96 100 100 96 3.1-3.4 4.0=43, 1.8/4016=28...(27) HG LEU 38 + HA GLU 35 OK 73 99 90 82 2.5-5.2 2.1/10168=21...(27) HB2 ARG 91 + HA ARG 91 OK 70 70 100 100 2.5-3.0 3.0=100 HB2 LEU 38 + HA GLU 35 OK 56 99 65 87 1.9-5.3 1626/12057=27, 1627=17...(29) HD2 LYS 40 + HA LYS 40 OK 55 63 100 88 3.6-4.2 5.2=19, 1823/3.8=17...(25) HD3 LYS 40 + HA LYS 40 OK 55 63 100 88 3.8-4.1 5.2=19, 1823/3.8=17...(25) HG3 LYS 39 + HA LYS 40 OK 40 64 70 88 2.8-6.5 ~1712=13, ~6621=13...(34) HG13 ILE 76 - HA GLU 43 poor 19 94 20 - 4.0-5.2 HG3 LYS 39 - HA GLU 35 far 10 98 10 - 4.5-7.8 HG2 LYS 66 - HA GLU 35 far 9 58 15 - 2.7-7.6 HG2 LYS 47 - HA GLU 43 far 0 58 0 - 4.6-8.0 HG3 LYS 39 - HA GLU 43 far 0 97 0 - 5.6-8.9 HD3 LYS 40 - HA GLU 43 far 0 96 0 - 7.3-9.5 HG LEU 38 - HA LYS 40 far 0 66 0 - 7.3-9.8 HB2 LEU 38 - HA LYS 40 far 0 67 0 - 7.4-7.9 HG13 ILE 52 - HA GLU 43 far 0 99 0 - 7.6-10.9 QB ALA 22 - HA ARG 91 far 0 95 0 - 8.0-9.6 HD2 LYS 40 - HA GLU 43 far 0 97 0 - 8.0-9.1 HG2 LYS 47 - HA LYS 40 far 0 33 0 - 8.1-11.4 HG13 ILE 76 - HA LYS 40 far 0 60 0 - 8.6-10.0 HD3 LYS 40 - HA GLU 35 far 0 97 0 - 8.9-11.5 HG2 LYS 20 - HA ARG 91 far 0 100 0 - 9.1-12.2 HB2 LEU 38 - HA GLU 43 far 0 99 0 - 9.3-10.9 HD2 LYS 40 - HA GLU 35 far 0 97 0 - 9.4-11.4 HG LEU 38 - HA GLU 43 far 0 99 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 4018 from cnoeabs.peaks (2.49, 3.89, 59.16 ppm; 5.12 A): 5 out of 10 assignments used, quality = 1.00: * HD2 ARG 91 + HA ARG 91 OK 100 100 100 100 2.1-4.9 4.8=100 HB3 ASP 87 + HA ARG 91 OK 92 99 95 98 5.4-7.2 ~9963=43, ~9896=26...(23) HB2 ASP 36 + HA GLU 35 OK 90 92 100 98 5.6-6.5 6563/3.6=44, 1568/4.9=33...(17) HB3 ASP 36 + HA GLU 35 OK 75 91 85 97 5.5-6.6 6563/3.6=43, 1568/4.9=33...(17) HB2 ASP 87 + HA ARG 91 OK 53 99 55 98 5.5-7.2 ~9963=43, ~9896=26...(22) HG3 GLU 95 - HA ARG 91 poor 19 59 70 45 5.1-8.1 4.8/7524=28...(4) HB3 ASP 36 - HA LYS 40 poor 11 56 20 - 5.7-8.6 HB2 ASP 36 - HA LYS 40 far 0 57 0 - 6.7-8.6 HG3 GLU 98 - HA ARG 91 far 0 98 0 - 7.9-9.3 HG3 GLU 63 - HA GLU 35 far 0 77 0 - 7.9-10.6 Violated in 0 structures by 0.00 A. Peak 4019 from cnoeabs.peaks (2.66, 3.89, 59.16 ppm; 5.15 A): 3 out of 10 assignments used, quality = 1.00: * HD3 ARG 91 + HA ARG 91 OK 100 100 100 100 2.5-4.8 4.8=100 HG3 MET 74 + HA GLU 43 OK 52 58 100 90 3.3-6.3 ~9585=45, 3.4/9610=35...(16) HB3 TYR 41 + HA LYS 40 OK 52 52 100 99 6.6-6.6 6656/3.6=77, 1.8/1882=37...(16) HG3 MET 74 - HA LYS 40 far 3 33 10 - 5.6-9.1 HB3 TYR 41 - HA GLU 43 far 0 85 0 - 7.9-8.3 HB3 ASP 65 - HA GLU 35 far 0 89 0 - 8.7-10.8 HG3 MET 74 - HA GLU 35 far 0 58 0 - 8.8-11.7 HD2 ARG 30 - HA LYS 40 far 0 64 0 - 8.9-11.3 HB3 TYR 41 - HA GLU 35 far 0 85 0 - 9.4-10.8 HB3 ASP 77 - HA GLU 43 far 0 80 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 4020 from cnoeabs.peaks (8.14, 3.89, 59.16 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H TRP 92 + HA ARG 91 OK 100 100 100 100 3.5-3.5 3.6=100 H ASP 87 - HA ARG 91 far 0 100 0 - 7.4-7.9 Violated in 0 structures by 0.00 A. Peak 4021 from cnoeabs.peaks (8.26, 3.89, 59.16 ppm; 4.05 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 94 + HA ARG 91 OK 98 100 100 98 3.4-4.1 7502=51, 7473/3.6=51...(20) H PHE 45 + HA GLU 43 OK 97 99 100 98 3.7-4.3 6722/3.6=64, 6698/2.9=61...(13) H PHE 45 - HA LYS 40 far 0 67 0 - 6.1-7.2 H ALA 71 - HA GLU 35 far 0 99 0 - 7.2-8.2 H ALA 71 - HA GLU 43 far 0 99 0 - 8.8-9.9 H ALA 71 - HA LYS 40 far 0 67 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 4022 from cnoeabs.peaks (1.92, 3.89, 59.16 ppm; 3.21 A): 3 out of 22 assignments used, quality = 0.99: HB2 GLU 43 + HA GLU 43 OK 94 94 100 100 2.4-3.0 3.0=100 HB3 ARG 46 + HA GLU 43 OK 53 62 100 85 2.0-4.2 3.6/10171=27...(14) HB2 GLU 43 + HA LYS 40 OK 49 60 100 81 2.5-4.6 1961=36, 1.8/1971=21...(13) ! HB2 LYS 94 - HA ARG 91 poor 18 100 25 74 2.8-5.2 4184=28, 7513/7502=21...(13) HG LEU 42 - HA LYS 40 far 0 50 0 - 4.9-6.6 HB VAL 32 - HA GLU 35 far 0 93 0 - 5.7-6.7 HG LEU 42 - HA GLU 43 far 0 82 0 - 5.7-6.5 HB3 LYS 47 - HA GLU 43 far 0 99 0 - 6.5-8.1 HG LEU 42 - HA GLU 35 far 0 82 0 - 7.1-8.6 HB2 GLU 17 - HA ARG 91 far 0 93 0 - 7.1-9.8 HB3 ARG 46 - HA LYS 40 far 0 35 0 - 7.3-9.7 HB3 LYS 33 - HA GLU 35 far 0 99 0 - 7.7-8.1 HB ILE 8 - HA GLU 35 far 0 81 0 - 8.0-9.4 HB2 LYS 73 - HA GLU 43 far 0 66 0 - 8.1-9.6 HB VAL 54 - HA GLU 43 far 0 62 0 - 8.2-10.3 HB2 LYS 33 - HA GLU 35 far 0 99 0 - 8.8-9.2 HB3 LYS 73 - HA GLU 43 far 0 68 0 - 8.9-10.5 HB2 LYS 73 - HA LYS 40 far 0 38 0 - 9.0-10.5 HG3 GLU 88 - HA ARG 91 far 0 91 0 - 9.0-9.5 HB2 LYS 73 - HA GLU 35 far 0 66 0 - 9.2-10.6 HB3 LYS 20 - HA ARG 91 far 0 98 0 - 9.6-12.0 HB3 LYS 47 - HA LYS 40 far 0 67 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 4023 from cnoeabs.peaks (2.02, 3.89, 59.16 ppm; 2.97 A): 2 out of 15 assignments used, quality = 0.99: HB2 GLU 35 + HA GLU 35 OK 95 95 100 100 2.5-3.0 3.0=96, 6550/3.0=37...(28) QE MET 74 + HA GLU 43 OK 72 89 95 85 3.1-4.8 9585/2.9=31...(16) ! HB3 LYS 94 - HA ARG 91 poor 19 100 30 64 2.8-5.7 1.8/4184=21, 4.0/7502=14...(13) QE MET 74 - HA LYS 40 poor 15 55 45 60 3.5-5.3 9610=16, 9585/6692=13...(16) HB2 GLU 44 - HA LYS 40 far 0 54 0 - 4.8-7.7 HB2 MET 21 - HA ARG 91 far 0 81 0 - 5.4-7.2 HB3 GLU 44 - HA GLU 43 far 0 88 0 - 5.6-6.6 HB2 GLU 44 - HA GLU 43 far 0 88 0 - 5.6-6.6 HB3 GLU 44 - HA LYS 40 far 0 54 0 - 5.8-8.2 QE MET 74 - HA GLU 35 far 0 89 0 - 6.4-8.3 HG12 ILE 93 - HA ARG 91 far 0 96 0 - 6.6-7.9 HB3 GLU 17 - HA ARG 91 far 0 96 0 - 7.2-9.4 HB3 GLU 48 - HA GLU 43 far 0 84 0 - 7.6-10.8 HB2 GLU 98 - HA ARG 91 far 0 90 0 - 8.7-10.8 HB2 GLU 62 - HA GLU 35 far 0 99 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 4024 from cnoeabs.peaks (3.66, 1.49, 29.27 ppm; 4.16 A): 1 out of 5 assignments used, quality = 0.98: * HA GLU 88 + HB2 ARG 91 OK 98 100 100 98 2.8-4.5 3870=51, 3871/1.8=38...(17) HA LYS 90 - HB2 ARG 91 far 0 99 0 - 5.8-6.6 HB THR 80 - HD2 LYS 82 far 0 28 0 - 5.9-9.2 HA LEU 14 - HB2 ARG 91 far 0 88 0 - 9.2-10.9 HA GLU 88 - HD2 LYS 82 far 0 34 0 - 9.9-12.6 Violated in 1 structures by 0.02 A. Peak 4025 from cnoeabs.peaks (7.47, 1.49, 29.27 ppm; 3.70 A): 1 out of 8 assignments used, quality = 1.00: * H ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.4-3.6 3.9=85, 7443/1.8=50...(20) H ILE 52 - HD2 LYS 53 far 2 44 5 - 5.0-7.3 HZ2 TRP 92 - HB2 ARG 91 far 0 91 0 - 6.2-7.6 HE3 TRP 92 - HB2 ARG 91 far 0 59 0 - 6.8-8.2 HZ2 TRP 92 - HD2 LYS 82 far 0 27 0 - 7.1-10.4 HE ARG 46 - HD3 LYS 40 far 0 44 0 - 8.4-14.2 HE ARG 46 - HD2 LYS 40 far 0 42 0 - 8.5-13.2 H LYS 47 - HD3 LYS 40 far 0 43 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 4026 from cnoeabs.peaks (3.89, 1.49, 29.27 ppm; 3.81 A): 5 out of 20 assignments used, quality = 1.00: * HA ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.5-3.0 3.0=100 HA LYS 40 + HD3 LYS 40 OK 33 34 100 98 3.8-4.1 5.2=39, 3.8/1824=26...(26) HA LYS 40 + HD2 LYS 40 OK 32 32 100 98 3.6-4.2 5.2=39, 3.8/1824=26...(25) HA3 GLY 101 + HD2 LYS 53 OK 31 58 85 62 2.7-6.1 12004/3.0=12...(18) HA2 GLY 101 + HD2 LYS 53 OK 22 47 80 59 2.0-7.7 ~12004=10, ~10101=7...(19) HA2 GLY 100 - HD2 LYS 53 far 7 47 15 - 4.9-7.9 HB2 SER 102 - HD2 LYS 53 far 6 57 10 - 4.3-10.9 HA TYR 41 - HD3 LYS 40 far 2 20 10 - 3.0-6.8 HA ALA 89 - HB2 ARG 91 far 0 98 0 - 5.5-7.2 HA LEU 38 - HD2 LYS 40 far 0 38 0 - 6.2-9.6 HB2 SER 85 - HB2 ARG 91 far 0 96 0 - 7.0-9.3 HA LEU 38 - HD3 LYS 40 far 0 40 0 - 7.2-8.3 HA GLU 63 - HD2 LYS 82 far 0 24 0 - 7.2-10.2 HA GLU 43 - HD3 LYS 40 far 0 43 0 - 7.3-9.5 HA LYS 94 - HB2 ARG 91 far 0 90 0 - 7.8-8.8 HA GLU 43 - HD2 LYS 40 far 0 41 0 - 8.0-9.1 HA GLU 35 - HD3 LYS 40 far 0 44 0 - 8.9-11.5 HA GLU 35 - HD2 LYS 40 far 0 42 0 - 9.4-11.4 HB3 SER 49 - HD2 LYS 53 far 0 37 0 - 9.6-11.3 HB2 SER 85 - HD2 LYS 82 far 0 30 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 4027 from cnoeabs.peaks (1.49, 1.49, 29.27 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HB2 ARG 91 + HB2 ARG 91 OK 100 100 - 100 HD2 LYS 53 + HD2 LYS 53 OK 41 41 - 100 HD3 LYS 40 + HD3 LYS 40 OK 35 35 - 100 HD2 LYS 40 + HD2 LYS 40 OK 33 33 - 100 HD2 LYS 82 + HD2 LYS 82 OK 23 23 - 100 Peak 4028 from cnoeabs.peaks (1.68, 1.49, 29.27 ppm; 2.90 A): 5 out of 22 assignments used, quality = 1.00: * HB3 ARG 91 + HB2 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 LYS 53 + HD2 LYS 53 OK 57 58 100 98 2.0-3.1 2451/1.8=58, 3.6=50...(44) HB3 LYS 40 + HD3 LYS 40 OK 39 44 100 90 2.8-3.3 3.5=57, 2.9/1824=20...(24) HB3 LYS 40 + HD2 LYS 40 OK 37 42 100 89 2.0-4.0 3.5=57, 2.9/1824=20...(23) HB2 LYS 40 + HD3 LYS 40 OK 20 23 100 89 2.0-4.1 3.5=57, 2.9/1824=20...(23) HD3 LYS 90 - HB2 ARG 91 poor 19 97 20 - 4.0-7.5 HB2 LYS 40 - HD2 LYS 40 poor 19 22 100 88 2.9-3.4 3.5=57, 2.9/1824=20...(22) HD2 LYS 39 - HD3 LYS 40 far 1 29 5 - 3.8-9.2 HD2 LYS 39 - HD2 LYS 40 far 1 28 5 - 4.4-10.3 HB3 ARG 79 - HD2 LYS 53 far 0 40 0 - 4.9-8.6 HB ILE 52 - HD2 LYS 53 far 0 55 0 - 6.1-8.3 HB2 LEU 2 - HD2 LYS 53 far 0 49 0 - 6.1-10.5 HD3 LYS 68 - HD2 LYS 82 far 0 21 0 - 7.2-11.4 HB ILE 76 - HD2 LYS 53 far 0 29 0 - 7.5-9.6 HD3 LYS 47 - HD2 LYS 40 far 0 42 0 - 8.1-11.9 HD2 LYS 47 - HD2 LYS 40 far 0 42 0 - 8.7-11.7 HD3 LYS 47 - HD3 LYS 40 far 0 44 0 - 8.8-13.2 HD2 LYS 68 - HD2 LYS 82 far 0 21 0 - 9.0-12.0 HB3 LEU 70 - HD3 LYS 40 far 0 25 0 - 9.3-11.2 HG2 PRO 86 - HB2 ARG 91 far 0 99 0 - 9.4-10.5 HD2 LYS 47 - HD3 LYS 40 far 0 43 0 - 9.5-13.1 HB3 LEU 70 - HD2 LYS 40 far 0 24 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4029 from cnoeabs.peaks (1.08, 1.49, 29.27 ppm; 3.65 A): 2 out of 6 assignments used, quality = 1.00: * HG2 ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.4-3.0 2.8=100 HG2 LYS 82 + HD2 LYS 82 OK 30 30 100 100 2.4-3.0 2.9=100 HG12 ILE 52 - HD2 LYS 53 poor 6 31 20 - 4.5-7.4 HB3 ARG 81 - HD2 LYS 82 far 0 28 0 - 8.3-9.4 HB3 ARG 81 - HB2 ARG 91 far 0 92 0 - 9.5-10.9 HG12 ILE 76 - HD2 LYS 53 far 0 55 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 4030 from cnoeabs.peaks (1.45, 1.49, 29.27 ppm; diagonal): 5 out of 5 assignments used, quality = 0.97: HB2 ARG 91 + HB2 ARG 91 OK 70 70 - 100 HD2 LYS 53 + HD2 LYS 53 OK 57 57 - 100 HD3 LYS 40 + HD3 LYS 40 OK 40 40 - 100 HD2 LYS 40 + HD2 LYS 40 OK 39 39 - 100 HD2 LYS 82 + HD2 LYS 82 OK 33 33 - 100 Reference assignment not found: HG3 ARG 91 - HB2 ARG 91 Peak 4031 from cnoeabs.peaks (2.49, 1.49, 29.27 ppm; 4.78 A): 4 out of 11 assignments used, quality = 1.00: * HD2 ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.7-3.8 3.5=100 HB2 ASP 87 + HB2 ARG 91 OK 95 99 100 97 3.5-5.4 4059/2.8=25, 4050/2.8=24...(24) HB3 ASP 87 + HB2 ARG 91 OK 95 99 100 97 3.5-5.6 4050/2.8=27, 4059/2.8=26...(24) HB2 ASP 61 + HD2 LYS 82 OK 23 26 95 94 4.0-6.7 ~9767=44, ~3711=36...(13) HB3 ASP 36 - HD3 LYS 40 poor 13 36 80 47 4.2-8.8 4.0/8829=10...(14) HB2 ASP 36 - HD3 LYS 40 poor 13 36 75 49 4.5-9.0 4.0/8829=10...(15) HB3 ASP 36 - HD2 LYS 40 poor 9 34 25 - 5.3-8.3 HG3 GLU 95 - HB2 ARG 91 far 6 59 10 - 5.0-8.4 HG3 GLU 63 - HD2 LYS 82 far 2 22 10 - 5.0-10.2 HB2 ASP 36 - HD2 LYS 40 far 2 35 5 - 6.0-8.7 HB3 TYR 4 - HD2 LYS 53 far 0 40 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 4032 from cnoeabs.peaks (2.66, 1.49, 29.27 ppm; 4.63 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 91 + HB2 ARG 91 OK 100 100 100 100 2.4-3.7 3.5=100 HB3 ASP 77 + HD2 LYS 53 OK 36 41 100 86 2.9-4.9 9678/5.3=31, ~12122=24...(13) HB3 TYR 41 - HD3 LYS 40 far 3 33 10 - 5.4-8.7 HB3 TYR 41 - HD2 LYS 40 far 3 32 10 - 4.9-9.2 HB3 ASP 65 - HD2 LYS 82 far 1 27 5 - 6.1-10.6 HD2 ARG 30 - HD2 LYS 40 far 0 40 0 - 6.7-12.6 HD2 ARG 30 - HD3 LYS 40 far 0 41 0 - 7.2-12.2 HB3 ASN 51 - HD2 LYS 53 far 0 54 0 - 7.3-9.2 HG3 MET 74 - HD3 LYS 40 far 0 20 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 4033 from cnoeabs.peaks (8.14, 1.49, 29.27 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: * H TRP 92 + HB2 ARG 91 OK 100 100 100 100 2.5-3.7 4.3=86, 7458/1.8=85...(11) H ASP 87 - HB2 ARG 91 far 0 100 0 - 5.9-7.1 H GLY 100 - HD2 LYS 53 far 0 58 0 - 6.4-9.3 H HIS 106 - HD2 LYS 82 far 0 29 0 - 7.7-22.7 H HIS 106 - HB2 ARG 91 far 0 94 0 - 8.2-21.0 H HIS 106 - HD2 LYS 53 far 0 50 0 - 9.1-18.4 Violated in 0 structures by 0.00 A. Peak 4034 from cnoeabs.peaks (3.66, 1.68, 29.27 ppm; 4.10 A): 5 out of 20 assignments used, quality = 1.00: * HA GLU 88 + HB3 ARG 91 OK 99 100 100 99 2.9-4.8 4024/1.8=74, 3871=42...(18) HA LYS 90 + HD3 LYS 90 OK 83 83 100 100 4.2-4.9 3918=82, 3917/1.8=76...(52) HA LEU 14 + HD2 LYS 13 OK 36 42 85 99 2.8-6.7 ~6191=26, 8391/5.5=24...(76) HA LEU 14 + HD3 LYS 13 OK 33 39 85 99 2.9-6.6 ~6191=26, 8391/5.5=24...(77) HA LEU 14 + HD3 LYS 90 OK 28 70 55 72 4.4-7.9 3958/2.9=18, 3969/1.8=14...(14) HA LEU 14 - HG12 ILE 15 far 7 75 10 - 5.6-6.0 HA LYS 90 - HB3 ARG 91 far 0 99 0 - 5.8-6.6 HA GLU 88 - HD3 LYS 90 far 0 86 0 - 5.9-7.8 HA LEU 14 - HD3 LYS 20 far 0 83 0 - 6.8-9.3 HA LEU 14 - HD2 LYS 20 far 0 85 0 - 6.8-8.8 HA LYS 90 - HD2 LYS 20 far 0 97 0 - 6.9-9.8 HA LEU 14 - HD2 LYS 12 far 0 61 0 - 7.2-9.5 HA LYS 90 - HD3 LYS 20 far 0 95 0 - 7.3-9.7 HA LEU 14 - HD3 LYS 12 far 0 61 0 - 7.6-10.8 HA LYS 90 - HD3 LYS 24 far 0 51 0 - 8.4-12.2 HA LYS 90 - HG12 ILE 15 far 0 88 0 - 9.1-10.3 HA LYS 90 - HD2 LYS 24 far 0 52 0 - 9.1-12.4 HA LYS 90 - HD2 LYS 13 far 0 52 0 - 9.3-13.8 HA LEU 14 - HB3 ARG 91 far 0 88 0 - 9.6-11.8 HA LYS 90 - HD3 LYS 13 far 0 48 0 - 9.6-14.6 Violated in 0 structures by 0.00 A. Peak 4035 from cnoeabs.peaks (7.47, 1.68, 29.27 ppm; 3.42 A): 4 out of 24 assignments used, quality = 1.00: H LYS 47 + HD3 LYS 47 OK 100 100 100 100 3.5-4.7 6773/3.0=54, 6772/3.0=47...(41) * H ARG 91 + HB3 ARG 91 OK 99 100 100 99 2.5-3.6 3.9=67, 4025/1.8=64...(19) H ARG 91 + HD3 LYS 90 OK 85 86 100 99 2.9-4.6 7437/1.8=60, 7438=48...(21) H LYS 47 + HD2 LYS 47 OK 70 100 70 100 3.8-5.2 6773/3.0=54, 6772/3.0=47...(39) HE ARG 46 - HD2 LYS 47 far 10 100 10 - 4.1-9.4 HE ARG 46 - HD3 LYS 47 far 5 100 5 - 4.8-8.9 HE ARG 19 - HD3 LYS 20 far 0 89 0 - 5.3-10.2 HE ARG 19 - HD2 LYS 20 far 0 91 0 - 5.7-10.3 HE ARG 19 - HG12 ILE 15 far 0 81 0 - 6.2-10.5 HD22 ASN 26 - HD2 LYS 24 far 0 55 0 - 6.2-9.3 HE ARG 19 - HD2 LYS 12 far 0 67 0 - 6.3-11.3 HE22 GLN 72 - HD2 LYS 73 far 0 35 0 - 6.4-10.6 HD22 ASN 26 - HD3 LYS 24 far 0 53 0 - 6.4-10.0 HZ2 TRP 92 - HB3 ARG 91 far 0 91 0 - 6.5-8.2 HE ARG 19 - HD3 LYS 12 far 0 67 0 - 6.7-12.7 HE3 TRP 92 - HB3 ARG 91 far 0 59 0 - 7.0-8.4 HE22 GLN 72 - HD3 LYS 73 far 0 33 0 - 7.4-11.3 HE ARG 46 - HD2 LYS 39 far 0 61 0 - 8.5-14.1 H ARG 91 - HD2 LYS 20 far 0 99 0 - 8.6-12.1 H ARG 91 - HD3 LYS 20 far 0 97 0 - 9.2-12.3 H ARG 91 - HD2 LYS 13 far 0 54 0 - 9.3-14.2 H ARG 91 - HD3 LYS 13 far 0 51 0 - 9.4-14.5 HE3 TRP 92 - HD3 LYS 90 far 0 45 0 - 9.5-11.4 HE ARG 46 - HD3 LYS 73 far 0 50 0 - 9.7-13.4 Violated in 0 structures by 0.00 A. Peak 4036 from cnoeabs.peaks (3.89, 1.68, 29.27 ppm; 3.51 A): 6 out of 49 assignments used, quality = 1.00: * HA ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.4-3.0 3.0=100 HA LYS 12 + HG12 ILE 15 OK 56 59 100 95 4.3-4.7 8446/2.1=47, 8450/1.8=29...(21) HA LYS 12 + HD2 LYS 12 OK 47 47 100 99 2.7-3.1 384/3.0=36, 5.2=32...(46) HA LYS 12 + HD3 LYS 12 OK 47 47 100 98 3.4-4.5 384/3.0=36, 5.2=32...(44) HB3 SER 9 + HG12 ILE 15 OK 38 50 90 83 3.1-5.1 ~8444=30, 1.8/8320=21...(16) HA ARG 91 + HD3 LYS 90 OK 24 86 30 93 3.4-6.3 ~7437=30, 3.0/7438=28...(21) HA GLU 35 - HD2 LYS 39 far 9 61 15 - 4.4-6.7 HA LYS 40 - HD2 LYS 39 far 5 48 10 - 3.2-7.7 HA GLU 43 - HD3 LYS 47 far 0 100 0 - 5.0-7.9 HA GLU 43 - HD2 LYS 47 far 0 100 0 - 5.5-8.4 HA ALA 89 - HB3 ARG 91 far 0 98 0 - 5.7-7.3 HA ALA 89 - HD3 LYS 90 far 0 81 0 - 5.7-7.8 HA LYS 94 - HD2 LYS 24 far 0 44 0 - 5.9-9.8 HA LYS 12 - HD2 LYS 13 far 0 32 0 - 6.0-7.2 HB2 SER 85 - HD2 LYS 13 far 0 49 0 - 6.0-11.0 HB2 SER 85 - HD3 LYS 13 far 0 46 0 - 6.0-10.2 HA ALA 67 - HD2 LYS 39 far 0 35 0 - 6.1-8.8 HA LYS 12 - HD3 LYS 13 far 0 30 0 - 6.1-7.2 HB3 SER 9 - HD3 LYS 13 far 0 25 0 - 6.2-9.1 HB2 SER 85 - HD3 LYS 90 far 0 79 0 - 6.2-8.7 HA LYS 94 - HD3 LYS 24 far 0 43 0 - 6.3-10.5 HB3 SER 9 - HD2 LYS 13 far 0 27 0 - 6.4-9.9 HA LEU 38 - HD2 LYS 39 far 0 56 0 - 6.5-7.9 HA LYS 40 - HD3 LYS 47 far 0 88 0 - 6.9-10.7 HA LYS 94 - HB3 ARG 91 far 0 90 0 - 7.1-8.7 HA TYR 41 - HD2 LYS 39 far 0 29 0 - 7.1-10.8 HA ALA 67 - HD2 LYS 73 far 0 30 0 - 7.3-10.1 HA LYS 40 - HD2 LYS 47 far 0 88 0 - 7.6-10.9 HA GLU 43 - HD2 LYS 39 far 0 60 0 - 7.7-9.8 HA ALA 89 - HG12 ILE 15 far 0 86 0 - 7.8-9.1 HA TYR 41 - HD2 LYS 47 far 0 59 0 - 7.8-11.2 HB2 SER 85 - HB3 ARG 91 far 0 96 0 - 7.8-9.6 HA ALA 67 - HD3 LYS 73 far 0 28 0 - 7.9-10.3 HA TYR 41 - HD3 LYS 47 far 0 59 0 - 8.0-11.2 HB3 SER 49 - HD3 LYS 47 far 0 75 0 - 8.1-10.9 HB3 SER 9 - HD2 LYS 12 far 0 40 0 - 8.1-10.4 HA GLU 35 - HD2 LYS 73 far 0 52 0 - 8.1-10.6 HB3 SER 9 - HD3 LYS 12 far 0 40 0 - 8.4-11.7 HA GLU 35 - HD3 LYS 73 far 0 50 0 - 8.5-11.2 HA LYS 12 - HD2 LYS 20 far 0 68 0 - 8.7-11.3 HA LYS 94 - HD3 LYS 90 far 0 71 0 - 8.7-10.8 HB3 SER 49 - HD2 LYS 47 far 0 75 0 - 8.8-11.8 HA LYS 12 - HD3 LYS 20 far 0 66 0 - 8.9-12.3 HA ALA 89 - HD2 LYS 13 far 0 50 0 - 9.0-13.8 HA ARG 91 - HD2 LYS 24 far 0 55 0 - 9.1-13.6 HA ARG 91 - HD3 LYS 24 far 0 54 0 - 9.2-14.0 HA ALA 89 - HD3 LYS 13 far 0 47 0 - 9.4-13.9 HA ARG 91 - HD2 LYS 20 far 0 99 0 - 9.5-13.2 HA LYS 40 - HD2 LYS 73 far 0 41 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 4037 from cnoeabs.peaks (1.49, 1.68, 29.27 ppm; 2.43 A): 12 out of 77 assignments used, quality = 1.00: * HB2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 47 + HD3 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 47 + HD2 LYS 47 OK 92 100 100 92 2.3-3.0 3.0=55, 1.8/2175=12...(54) HG2 LYS 20 + HD2 LYS 20 OK 66 76 100 87 2.4-2.6 2.8=62, 887/1.8=6...(39) HG2 LYS 20 + HD3 LYS 20 OK 64 73 100 87 2.3-3.0 2.8=62, 887/1.8=6...(41) HG3 ARG 91 + HB3 ARG 91 OK 55 70 100 79 2.4-3.0 2.8=62, 7445/3.9=8...(10) HG2 LYS 73 + HD2 LYS 73 OK 47 51 100 91 2.3-3.0 3.0=56, 1.8/3278=9...(51) HG3 LYS 13 + HD2 LYS 13 OK 45 51 100 89 2.4-3.0 3.0=56, 486/487=10...(36) HG2 LYS 73 + HD3 LYS 73 OK 44 49 100 91 2.5-3.0 3.0=56, 1.8/3278=9...(50) HG3 LYS 13 + HD3 LYS 13 OK 43 48 100 89 2.4-3.0 3.0=56, 1.8/523=9...(36) HG3 LYS 24 + HD2 LYS 24 OK 39 44 100 90 2.2-3.0 3.0=56, 1096/4.9=10...(37) HG3 LYS 24 + HD3 LYS 24 OK 38 43 100 90 2.6-3.0 3.0=56, 1096/4.9=10...(37) HG3 ARG 91 - HD3 LYS 90 poor 13 53 75 33 2.1-4.9 1.8/4039=9, 2.9/4065=7...(9) HB2 LEU 14 - HD2 LYS 13 poor 9 29 85 36 2.7-6.8 3.1/10406=5, 3.0/3871=4...(16) HB2 LEU 14 - HD3 LYS 13 poor 8 27 85 35 2.9-6.2 3.1/10406=5, 245/3.0=4...(16) HD3 LYS 40 - HD2 LYS 39 far 2 50 5 - 3.8-9.2 HB ILE 7 - HG12 ILE 15 far 0 54 0 - 4.0-4.9 HB2 ARG 91 - HD3 LYS 90 far 0 86 0 - 4.0-7.5 HB2 LEU 38 - HD2 LYS 39 far 0 39 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 49 0 - 4.4-10.3 HB2 LEU 14 - HG12 ILE 15 far 0 54 0 - 5.4-6.0 HG LEU 38 - HD2 LYS 39 far 0 43 0 - 5.6-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 5.7-10.7 HB2 LEU 14 - HD3 LYS 90 far 0 50 0 - 5.8-8.5 HG2 LYS 73 - HD2 LYS 39 far 0 60 0 - 6.3-10.8 HG2 LYS 20 - HD3 LYS 24 far 0 36 0 - 6.6-11.6 HB3 LEU 103 - HB3 ARG 91 far 0 63 0 - 6.8-18.2 HG3 LYS 66 - HD2 LYS 39 far 0 60 0 - 6.9-11.5 HG3 LYS 13 - HD3 LYS 12 far 0 73 0 - 7.1-9.6 HG3 LYS 13 - HD2 LYS 12 far 0 73 0 - 7.2-9.2 HG3 LYS 66 - HD2 LYS 73 far 0 51 0 - 7.3-12.3 HG LEU 57 - HD3 LYS 90 far 0 79 0 - 7.3-9.7 HG3 LYS 24 - HD3 LYS 20 far 0 84 0 - 7.3-11.3 HG LEU 57 - HB3 ARG 91 far 0 96 0 - 7.3-9.3 HG LEU 57 - HG12 ILE 15 far 0 84 0 - 7.4-8.9 HB2 LEU 27 - HD3 LYS 24 far 0 36 0 - 7.5-10.8 HG3 LYS 13 - HG12 ILE 15 far 0 87 0 - 7.5-8.5 HG2 LYS 20 - HD2 LYS 24 far 0 37 0 - 7.6-10.9 HB2 LEU 27 - HD2 LYS 24 far 0 37 0 - 8.0-11.5 HD2 LYS 40 - HD3 LYS 47 far 0 89 0 - 8.1-11.9 HG2 LYS 66 - HD2 LYS 39 far 0 60 0 - 8.1-12.5 HG3 LYS 24 - HD2 LYS 20 far 0 86 0 - 8.2-11.1 HB2 LEU 38 - HD2 LYS 73 far 0 33 0 - 8.2-11.6 HG3 LYS 13 - HD3 LYS 90 far 0 82 0 - 8.3-12.4 HB2 LEU 14 - HD2 LYS 12 far 0 43 0 - 8.4-10.2 HD2 LYS 40 - HD2 LYS 47 far 0 89 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 66 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 91 0 - 8.8-13.2 HG2 LYS 66 - HD2 LYS 73 far 0 52 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 37 0 - 8.9-11.3 HG3 LYS 66 - HD3 LYS 73 far 0 48 0 - 8.9-13.7 HB2 LEU 38 - HD3 LYS 73 far 0 31 0 - 9.0-11.6 HB2 LEU 14 - HD3 LYS 20 far 0 61 0 - 9.0-11.5 HG LEU 6 - HG12 ILE 15 far 0 48 0 - 9.0-11.7 HB2 LEU 14 - HD2 LYS 20 far 0 62 0 - 9.1-11.1 HB2 LEU 14 - HD3 LYS 12 far 0 43 0 - 9.1-11.3 HG3 LYS 24 - HD3 LYS 90 far 0 71 0 - 9.1-13.1 HG LEU 38 - HD3 LYS 73 far 0 35 0 - 9.1-12.5 HG2 LYS 20 - HD2 LYS 12 far 0 53 0 - 9.3-12.2 HG13 ILE 52 - HD3 LYS 47 far 0 79 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 53 0 - 9.3-13.8 HB ILE 7 - HD2 LYS 12 far 0 43 0 - 9.4-10.7 HB2 LEU 14 - HB3 ARG 91 far 0 65 0 - 9.4-12.0 HD3 LYS 40 - HD2 LYS 47 far 0 91 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 34 0 - 9.5-13.3 HG3 ARG 91 - HD2 LYS 13 far 0 31 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 66 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 36 0 - 9.5-12.9 HG3 ARG 91 - HD3 LYS 13 far 0 29 0 - 9.6-14.4 HG3 LYS 33 - HG12 ILE 15 far 0 81 0 - 9.6-11.1 HG3 LYS 33 - HD2 LYS 12 far 0 67 0 - 9.7-13.2 HB ILE 7 - HD3 LYS 90 far 0 50 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 64 0 - 9.8-13.5 HB ILE 7 - HD2 LYS 20 far 0 62 0 - 9.9-11.5 HG2 LYS 66 - HD3 LYS 73 far 0 49 0 - 9.9-13.7 HG3 LYS 13 - HD2 LYS 20 far 0 96 0 - 9.9-12.0 HG3 LYS 33 - HD3 LYS 12 far 0 67 0 - 10.0-14.7 Violated in 0 structures by 0.00 A. Peak 4038 from cnoeabs.peaks (1.68, 1.68, 29.27 ppm; diagonal): 16 out of 16 assignments used, quality = 1.00: * HB3 ARG 91 + HB3 ARG 91 OK 100 100 - 100 HD3 LYS 47 + HD3 LYS 47 OK 100 100 - 100 HD2 LYS 47 + HD2 LYS 47 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 98 98 - 100 HD3 LYS 20 + HD3 LYS 20 OK 96 96 - 100 HG12 ILE 15 + HG12 ILE 15 OK 87 87 - 100 HD3 LYS 90 + HD3 LYS 90 OK 80 80 - 100 HD2 LYS 12 + HD2 LYS 12 OK 67 67 - 100 HD3 LYS 12 + HD3 LYS 12 OK 67 67 - 100 HD2 LYS 24 + HD2 LYS 24 OK 51 51 - 100 HD3 LYS 24 + HD3 LYS 24 OK 49 49 - 100 HD2 LYS 73 + HD2 LYS 73 OK 47 47 - 100 HD2 LYS 13 + HD2 LYS 13 OK 46 46 - 100 HD3 LYS 73 + HD3 LYS 73 OK 43 43 - 100 HD2 LYS 39 + HD2 LYS 39 OK 42 42 - 100 HD3 LYS 13 + HD3 LYS 13 OK 42 42 - 100 Peak 4039 from cnoeabs.peaks (1.08, 1.68, 29.27 ppm; 4.00 A): 2 out of 11 assignments used, quality = 1.00: * HG2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.4-2.7 2.8=100 HG2 ARG 91 + HD3 LYS 90 OK 69 86 90 89 2.1-6.4 4047=30, 7444/7438=24...(25) HG12 ILE 76 - HD3 LYS 73 far 0 47 0 - 8.9-10.6 HG12 ILE 76 - HD2 LYS 73 far 0 49 0 - 9.1-10.3 HG12 ILE 76 - HD2 LYS 39 far 0 58 0 - 9.2-11.7 HG12 ILE 76 - HD3 LYS 47 far 0 98 0 - 9.4-12.1 HG12 ILE 76 - HD2 LYS 47 far 0 98 0 - 9.5-12.7 HB3 ARG 81 - HB3 ARG 91 far 0 92 0 - 9.8-11.2 HG2 ARG 91 - HD3 LYS 24 far 0 54 0 - 9.8-16.8 HG2 ARG 91 - HD3 LYS 20 far 0 97 0 - 9.9-13.9 HG12 ILE 52 - HD3 LYS 47 far 0 65 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 4040 from cnoeabs.peaks (1.45, 1.68, 29.27 ppm; 2.44 A): 12 out of 76 assignments used, quality = 1.00: HG2 LYS 20 + HD2 LYS 20 OK 88 98 100 89 2.4-2.6 2.8=63, 887/1.8=8...(48) HG2 LYS 20 + HD3 LYS 20 OK 86 97 100 89 2.3-3.0 2.8=63, 887/1.8=8...(49) * HG3 ARG 91 + HB3 ARG 91 OK 81 100 100 81 2.4-3.0 2.8=63, 7445/3.9=12...(10) HG2 LYS 12 + HD2 LYS 12 OK 71 75 100 95 2.3-3.0 3.0=55, 463/3.0=23...(58) HG2 LYS 12 + HD3 LYS 12 OK 71 75 100 94 2.3-3.0 3.0=55, 463/3.0=23...(56) HB2 ARG 91 + HB3 ARG 91 OK 70 70 100 100 1.8-1.8 1.8=100 HG3 LYS 39 + HD2 LYS 39 OK 55 58 100 95 2.2-3.0 3.0=56, 1720/1.8=25...(50) HG2 LYS 47 + HD3 LYS 47 OK 54 59 100 90 2.3-3.0 3.0=56, 1.8/2175=12...(55) HG2 LYS 47 + HD2 LYS 47 OK 53 59 100 90 2.3-3.0 3.0=56, 1.8/2175=12...(54) HG2 LYS 13 + HD2 LYS 13 OK 39 43 100 91 2.3-2.7 3.0=57, 524/1.8=8...(57) HG2 LYS 13 + HD3 LYS 13 OK 37 40 100 91 2.3-2.7 3.0=57, 524/1.8=8...(57) HG3 ARG 91 + HD3 LYS 90 OK 30 86 75 46 2.1-4.9 1.8/4039=9, 4056=9...(13) HG12 ILE 7 - HG12 ILE 15 poor 20 67 40 74 2.7-4.5 ~8469=15, ~10118=14...(23) HD3 LYS 40 - HD2 LYS 39 far 3 56 5 - 3.8-9.2 HB2 ARG 91 - HD3 LYS 90 far 0 53 0 - 4.0-7.5 HB2 LEU 38 - HD2 LYS 39 far 0 61 0 - 4.3-7.7 HD2 LYS 40 - HD2 LYS 39 far 0 57 0 - 4.4-10.3 HG2 LYS 12 - HD3 LYS 13 far 0 50 0 - 5.3-8.4 HG3 LYS 39 - HD2 LYS 73 far 0 49 0 - 5.4-9.2 HG LEU 38 - HD2 LYS 39 far 0 60 0 - 5.6-8.4 HG2 LYS 20 - HD3 LYS 90 far 0 85 0 - 5.7-10.7 HG2 LYS 12 - HD2 LYS 13 far 0 53 0 - 6.0-8.5 HG2 LYS 13 - HG12 ILE 15 far 0 76 0 - 6.1-6.7 HG2 LYS 13 - HD2 LYS 12 far 0 63 0 - 6.1-7.5 HG2 LYS 12 - HG12 ILE 15 far 0 89 0 - 6.2-8.3 HG2 LYS 13 - HD3 LYS 12 far 0 63 0 - 6.4-8.2 HG3 LYS 39 - HD3 LYS 73 far 0 47 0 - 6.4-9.3 HG LEU 29 - HG12 ILE 15 far 0 82 0 - 6.4-8.1 HG2 LYS 20 - HD3 LYS 24 far 0 53 0 - 6.6-11.6 QB ALA 22 - HD2 LYS 24 far 0 48 0 - 6.7-8.9 QB ALA 22 - HD3 LYS 24 far 0 47 0 - 6.7-8.6 QB ALA 22 - HD2 LYS 20 far 0 92 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 92 0 - 7.2-11.2 HB2 LEU 27 - HD3 LYS 24 far 0 53 0 - 7.5-10.8 HG2 LYS 20 - HD2 LYS 24 far 0 54 0 - 7.6-10.9 HG LEU 29 - HD3 LYS 20 far 0 90 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 90 0 - 7.8-8.7 HG12 ILE 7 - HD2 LYS 13 far 0 37 0 - 7.9-12.1 HB2 LEU 27 - HD2 LYS 24 far 0 54 0 - 8.0-11.5 QB ALA 22 - HD3 LYS 90 far 0 77 0 - 8.1-9.7 HG12 ILE 7 - HD3 LYS 13 far 0 35 0 - 8.1-11.4 HD2 LYS 40 - HD3 LYS 47 far 0 98 0 - 8.1-11.9 HG2 LYS 66 - HD2 LYS 39 far 0 29 0 - 8.1-12.5 HB2 LEU 38 - HD2 LYS 73 far 0 52 0 - 8.2-11.6 HG13 ILE 76 - HD3 LYS 47 far 0 96 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 95 0 - 8.4-11.3 HG2 LYS 13 - HD3 LYS 90 far 0 71 0 - 8.5-11.8 HG12 ILE 7 - HD3 LYS 90 far 0 63 0 - 8.6-11.6 QB ALA 22 - HG12 ILE 15 far 0 82 0 - 8.6-9.9 HD2 LYS 40 - HD2 LYS 47 far 0 98 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 99 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 98 0 - 8.8-13.2 HG2 LYS 66 - HD2 LYS 73 far 0 25 0 - 8.9-12.0 HG LEU 38 - HD2 LYS 73 far 0 51 0 - 8.9-11.3 HB2 LEU 38 - HD3 LYS 73 far 0 49 0 - 9.0-11.6 HG2 LYS 12 - HD2 LYS 20 far 0 98 0 - 9.0-12.7 HG LEU 29 - HD3 LYS 90 far 0 77 0 - 9.1-12.9 HG LEU 38 - HD3 LYS 73 far 0 48 0 - 9.1-12.5 HG2 LYS 20 - HD2 LYS 12 far 0 76 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 86 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 84 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 55 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 100 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 76 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 95 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 97 0 - 9.5-13.1 HG2 LYS 20 - HD3 LYS 13 far 0 50 0 - 9.5-13.3 HG3 ARG 91 - HD2 LYS 13 far 0 54 0 - 9.5-14.4 HG2 LYS 20 - HG12 ILE 15 far 0 90 0 - 9.5-9.9 HG2 LYS 20 - HD2 LYS 13 far 0 53 0 - 9.5-12.9 HG2 LYS 12 - HD3 LYS 20 far 0 96 0 - 9.6-13.2 HG3 ARG 91 - HD3 LYS 13 far 0 51 0 - 9.6-14.4 HG3 LYS 39 - HD2 LYS 47 far 0 98 0 - 9.6-16.2 HG LEU 29 - HD2 LYS 12 far 0 68 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 97 0 - 9.8-13.5 HG2 LYS 66 - HD3 LYS 73 far 0 23 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 4041 from cnoeabs.peaks (2.49, 1.68, 29.27 ppm; 4.62 A): 8 out of 29 assignments used, quality = 1.00: * HD2 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.0-3.8 3.5=100 HB3 ASP 87 + HB3 ARG 91 OK 87 99 95 93 3.4-6.6 4050/2.8=26, 4059/2.8=24...(20) HB2 ASP 87 + HB3 ARG 91 OK 83 99 90 94 4.3-6.3 4059/2.8=24, 4050/2.8=23...(20) HB2 ASP 87 + HD3 LYS 90 OK 81 82 100 99 3.7-5.4 ~10316=43, ~9910=35...(20) HB3 ASP 87 + HD3 LYS 90 OK 77 82 95 99 3.4-6.1 ~10316=43, ~9910=35...(21) HD2 ARG 91 + HD3 LYS 90 OK 68 86 85 93 2.3-6.5 4065=38, 2.9/4039=31...(24) HB3 ASP 36 + HD2 LYS 39 OK 41 51 85 96 3.0-6.3 ~10565=28, 3.6/8780=22...(25) HB2 ASP 36 + HD2 LYS 39 OK 34 52 70 95 3.1-7.0 ~10565=28, 3.6/8780=22...(25) HG3 GLU 23 - HD2 LYS 20 far 5 98 5 - 5.9-8.5 HG3 GLU 95 - HB3 ARG 91 lone 2 59 55 7 4.5-8.2 4018/3.0=2, 12257/1820=1 HG3 GLU 23 - HD3 LYS 20 far 0 97 0 - 6.3-8.7 HG3 GLU 23 - HD3 LYS 24 far 0 53 0 - 6.9-10.4 HG3 GLU 98 - HD2 LYS 24 far 0 51 0 - 7.2-12.2 HG3 GLU 98 - HD3 LYS 24 far 0 49 0 - 7.7-12.3 HB2 ASP 87 - HD3 LYS 13 far 0 48 0 - 7.8-12.6 HG3 GLU 23 - HD2 LYS 24 far 0 54 0 - 7.8-10.1 HB3 ASP 87 - HD2 LYS 13 far 0 51 0 - 8.0-14.0 HB2 ASP 87 - HD2 LYS 13 far 0 51 0 - 8.1-12.8 HD2 ARG 91 - HD2 LYS 20 far 0 99 0 - 8.2-15.0 HB3 ASP 87 - HD3 LYS 13 far 0 48 0 - 8.7-13.6 HB2 ASP 87 - HD2 LYS 20 far 0 96 0 - 8.9-14.4 HG3 GLU 63 - HG12 ILE 15 far 0 66 0 - 9.0-11.0 HD2 ARG 91 - HD2 LYS 24 far 0 55 0 - 9.1-17.5 HD2 ARG 91 - HD3 LYS 20 far 0 97 0 - 9.2-15.9 HG3 GLU 98 - HB3 ARG 91 far 0 98 0 - 9.4-11.1 HB2 ASP 36 - HD2 LYS 73 far 0 44 0 - 9.4-12.8 HG3 GLU 95 - HD3 LYS 90 far 0 45 0 - 9.4-12.9 HD2 ARG 91 - HD3 LYS 24 far 0 54 0 - 9.7-17.7 HB3 ASP 36 - HD2 LYS 73 far 0 43 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 4042 from cnoeabs.peaks (2.66, 1.68, 29.27 ppm; 4.78 A): 2 out of 9 assignments used, quality = 1.00: * HD3 ARG 91 + HB3 ARG 91 OK 100 100 100 100 2.1-3.7 3.5=100 HD3 ARG 91 + HD3 LYS 90 OK 43 86 55 91 3.7-7.5 1.8/4065=35, 2.9/4039=32...(23) HG3 MET 74 - HD2 LYS 39 far 0 29 0 - 6.5-10.1 HG3 MET 74 - HD2 LYS 73 far 0 25 0 - 6.9-8.5 HG3 MET 74 - HD3 LYS 73 far 0 23 0 - 7.2-8.5 HB3 TYR 41 - HD2 LYS 39 far 0 47 0 - 8.3-11.1 HD3 ARG 91 - HD2 LYS 20 far 0 99 0 - 9.8-15.5 HB3 TYR 41 - HD3 LYS 47 far 0 87 0 - 9.8-13.3 HB3 TYR 41 - HD2 LYS 47 far 0 87 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 4043 from cnoeabs.peaks (8.14, 1.68, 29.27 ppm; 3.92 A): 2 out of 9 assignments used, quality = 1.00: * H TRP 92 + HB3 ARG 91 OK 100 100 100 100 2.7-3.8 7458=100, 4033/1.8=71...(11) H ASP 87 + HD3 LYS 90 OK 79 85 95 98 3.0-5.5 10963/7422=36, ~10316=31...(28) H TRP 92 - HD3 LYS 90 far 9 86 10 - 5.2-7.1 H ASP 87 - HD3 LYS 13 far 0 50 0 - 5.5-10.1 H ASP 87 - HD2 LYS 13 far 0 53 0 - 5.6-10.4 H ASP 87 - HB3 ARG 91 far 0 100 0 - 5.9-7.6 H HIS 106 - HB3 ARG 91 far 0 94 0 - 8.2-21.3 H ASP 87 - HD2 LYS 20 far 0 98 0 - 8.5-12.3 H ASP 87 - HD3 LYS 20 far 0 97 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 4044 from cnoeabs.peaks (7.47, 1.08, 26.80 ppm; 4.49 A): 2 out of 7 assignments used, quality = 1.00: * H ARG 91 + HG2 ARG 91 OK 100 100 100 100 3.0-3.7 7444=100, 4025/2.8=79...(24) HE ARG 46 + HG12 ILE 76 OK 33 96 35 99 4.7-7.4 3.6/10176=44, ~9020=43...(18) H LYS 47 - HG12 ILE 76 far 0 96 0 - 6.6-8.5 HZ2 TRP 92 - HG2 ARG 91 far 0 91 0 - 7.9-9.7 H ILE 52 - HG12 ILE 76 far 0 80 0 - 8.0-10.4 HE3 TRP 92 - HG2 ARG 91 far 0 59 0 - 9.3-10.0 HE22 GLN 72 - HG12 ILE 76 far 0 72 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 4045 from cnoeabs.peaks (3.89, 1.08, 26.80 ppm; 4.01 A): 2 out of 10 assignments used, quality = 1.00: * HA ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.4-3.8 4.0=100 HA GLU 43 + HG12 ILE 76 OK 64 95 75 89 4.7-5.8 4016=34, 10609/2.1=23...(22) HB3 SER 49 - HG12 ILE 76 poor 14 68 20 - 5.3-11.8 HB2 SER 85 - HG2 ARG 91 far 0 96 0 - 6.9-9.4 HA ALA 89 - HG2 ARG 91 far 0 98 0 - 7.5-7.8 HA LYS 94 - HG2 ARG 91 far 0 90 0 - 7.6-10.1 HA LYS 40 - HG12 ILE 76 far 0 81 0 - 8.6-10.0 HA ALA 67 - HG12 ILE 76 far 0 63 0 - 9.3-11.0 HA LEU 38 - HG12 ILE 76 far 0 91 0 - 9.6-11.3 HA TYR 41 - HG12 ILE 76 far 0 53 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 4046 from cnoeabs.peaks (1.49, 1.08, 26.80 ppm; 2.91 A): 2 out of 14 assignments used, quality = 1.00: * HB2 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.4-3.0 2.8=100 HG3 ARG 91 + HG2 ARG 91 OK 70 70 100 100 1.8-1.8 1.8=100 HG13 ILE 52 - HG12 ILE 76 far 0 72 0 - 6.8-10.8 HG2 LYS 73 - HG12 ILE 76 far 0 95 0 - 7.9-9.2 HG2 LYS 47 - HG12 ILE 76 far 0 95 0 - 8.1-12.0 HG LEU 38 - HG12 ILE 76 far 0 75 0 - 9.1-12.1 HB3 LEU 103 - HG2 ARG 91 far 0 63 0 - 9.2-20.5 HG LEU 57 - HG2 ARG 91 far 0 96 0 - 9.3-9.9 HD2 LYS 53 - HG12 ILE 76 far 0 75 0 - 9.6-11.6 HG2 LYS 20 - HG2 ARG 91 far 0 79 0 - 9.6-13.7 HB2 LEU 38 - HG12 ILE 76 far 0 68 0 - 9.6-12.2 HB2 LEU 14 - HG2 ARG 91 far 0 65 0 - 9.7-10.8 HG LEU 6 - HG12 ILE 76 far 0 53 0 - 9.7-12.7 HG2 LYS 53 - HG12 ILE 76 far 0 81 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4047 from cnoeabs.peaks (1.68, 1.08, 26.80 ppm; 3.66 A): 3 out of 15 assignments used, quality = 1.00: * HB3 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.4-2.7 2.8=100 HD3 LYS 90 + HG2 ARG 91 OK 66 97 80 85 2.1-6.4 4039=31, 7438/7444=20...(25) HB ILE 76 + HG12 ILE 76 OK 55 55 100 100 2.4-2.6 3.0=100 HB3 LEU 70 - HG12 ILE 76 far 0 65 0 - 6.9-8.7 HG2 PRO 86 - HG2 ARG 91 far 0 99 0 - 8.5-9.5 HB ILE 52 - HG12 ILE 76 far 0 92 0 - 8.5-10.2 HD3 LYS 73 - HG12 ILE 76 far 0 88 0 - 8.9-10.6 HD2 LYS 73 - HG12 ILE 76 far 0 90 0 - 9.1-10.3 HD2 LYS 39 - HG12 ILE 76 far 0 73 0 - 9.2-11.7 HG LEU 70 - HG12 ILE 76 far 0 89 0 - 9.3-10.9 HG3 LYS 20 - HG2 ARG 91 far 0 99 0 - 9.3-13.2 HD3 LYS 47 - HG12 ILE 76 far 0 96 0 - 9.4-12.1 HD2 LYS 47 - HG12 ILE 76 far 0 96 0 - 9.5-12.7 HD3 LYS 24 - HG2 ARG 91 far 0 97 0 - 9.8-16.8 HD3 LYS 20 - HG2 ARG 91 far 0 99 0 - 9.9-13.9 Violated in 0 structures by 0.00 A. Peak 4048 from cnoeabs.peaks (1.08, 1.08, 26.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 91 + HG2 ARG 91 OK 100 100 - 100 HG12 ILE 76 + HG12 ILE 76 OK 93 93 - 100 Peak 4049 from cnoeabs.peaks (1.45, 1.08, 26.80 ppm; 2.59 A): 3 out of 12 assignments used, quality = 1.00: * HG3 ARG 91 + HG2 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG13 ILE 76 + HG12 ILE 76 OK 89 89 100 100 1.8-1.8 1.8=100 HB2 ARG 91 + HG2 ARG 91 OK 65 70 100 93 2.4-3.0 2.8=75, 3.9/7444=16...(24) HG13 ILE 52 - HG12 ILE 76 far 0 95 0 - 6.8-10.8 HG3 LYS 39 - HG12 ILE 76 far 0 93 0 - 7.7-10.4 HG2 LYS 47 - HG12 ILE 76 far 0 53 0 - 8.1-12.0 HG LEU 38 - HG12 ILE 76 far 0 95 0 - 9.1-12.1 HD2 LYS 53 - HG12 ILE 76 far 0 95 0 - 9.6-11.6 HG2 LYS 20 - HG2 ARG 91 far 0 100 0 - 9.6-13.7 QB ALA 22 - HG2 ARG 91 far 0 95 0 - 9.6-11.5 HB2 LEU 38 - HG12 ILE 76 far 0 96 0 - 9.6-12.2 HG2 LYS 53 - HG12 ILE 76 far 0 93 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 4050 from cnoeabs.peaks (2.49, 1.08, 26.80 ppm; 3.88 A): 3 out of 4 assignments used, quality = 1.00: * HD2 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.6-3.0 2.9=100 HB3 ASP 87 + HG2 ARG 91 OK 86 99 100 87 2.0-5.3 4059/1.8=22, 4.0/4052=16...(22) HB2 ASP 87 + HG2 ARG 91 OK 76 99 90 86 3.1-5.4 4059/1.8=22, 4.0/4052=16...(22) HG3 GLU 95 - HG2 ARG 91 far 0 59 0 - 6.9-10.5 Violated in 0 structures by 0.00 A. Peak 4051 from cnoeabs.peaks (2.66, 1.08, 26.80 ppm; 3.96 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 91 + HG2 ARG 91 OK 100 100 100 100 2.3-3.0 2.9=100 HG3 MET 74 + HG12 ILE 76 OK 52 53 100 99 1.9-4.2 2.9/9664=48, 3.4/9606=39...(24) HB3 ASP 77 - HG12 ILE 76 far 0 75 0 - 7.1-8.3 HB3 TYR 41 - HG12 ILE 76 far 0 80 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 4052 from cnoeabs.peaks (8.14, 1.08, 26.80 ppm; 5.02 A): 2 out of 2 assignments used, quality = 1.00: * H TRP 92 + HG2 ARG 91 OK 100 100 100 100 4.8-4.9 7459=100, 7458/2.8=90...(12) H ASP 87 + HG2 ARG 91 OK 95 100 100 95 5.2-6.4 4061/1.8=43, 4070/2.9=28...(15) Violated in 0 structures by 0.00 A. Peak 4053 from cnoeabs.peaks (7.47, 1.45, 26.80 ppm; 4.02 A): 3 out of 14 assignments used, quality = 1.00: * H ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.1-2.6 4025/2.8=67, 7444/1.8=66...(24) H ILE 52 + HG13 ILE 52 OK 43 44 100 99 1.8-4.6 6862/1.8=66, 6860/3.0=56...(14) HE ARG 46 + HG13 ILE 76 OK 35 90 40 97 3.6-6.6 3.6/10177=37, ~9020=34...(17) HE ARG 19 - HG LEU 29 poor 16 67 30 78 3.1-8.1 11049/2.1=19...(15) H LYS 47 - HG13 ILE 76 poor 15 90 25 65 5.3-6.9 6766/10177=19...(11) H LYS 47 - HG13 ILE 52 far 3 57 5 - 5.3-9.1 HE ARG 46 - HG13 ILE 52 far 0 57 0 - 6.5-13.3 H ILE 52 - HG13 ILE 76 far 0 72 0 - 6.6-9.2 HE22 GLN 72 - HG LEU 64 far 0 35 0 - 7.3-10.9 HZ2 TRP 92 - HG3 ARG 91 far 0 91 0 - 7.9-9.0 HE3 TRP 92 - HG3 ARG 91 far 0 59 0 - 8.6-9.1 H ARG 91 - HG LEU 29 far 0 76 0 - 9.0-12.4 HE3 TRP 92 - HG LEU 64 far 0 24 0 - 9.5-10.6 HE22 GLN 72 - HG LEU 38 far 0 64 0 - 9.7-14.5 Violated in 0 structures by 0.00 A. Peak 4054 from cnoeabs.peaks (3.89, 1.45, 26.80 ppm; 3.62 A): 6 out of 26 assignments used, quality = 1.00: * HA ARG 91 + HG3 ARG 91 OK 100 100 100 100 3.1-3.4 4.0=74, 4016/1.8=43...(28) HA LEU 38 + HG LEU 38 OK 83 83 100 100 2.1-3.8 3.7=96, 1621/2.1=34...(29) HA GLU 35 + HG LEU 38 OK 78 89 95 93 2.5-5.2 10168/2.1=31...(31) HA GLU 43 + HG13 ILE 76 OK 54 89 75 81 4.0-5.2 4045/1.8=24...(22) HB3 SER 49 + HG13 ILE 76 OK 37 62 75 81 3.6-10.2 ~9065=21, 9071/3.2=19...(18) HA ALA 67 + HG LEU 38 OK 35 56 95 66 1.8-5.1 1659/2.1=19, 1635/3.0=14...(19) HA GLU 63 - HG LEU 38 far 10 69 15 - 4.5-8.2 HB3 SER 49 - HG13 ILE 52 poor 9 36 25 - 4.1-8.1 HB2 SER 85 - HG3 ARG 91 far 0 96 0 - 6.3-7.9 HA ALA 89 - HG3 ARG 91 far 0 98 0 - 6.4-6.6 HA GLU 63 - HG LEU 64 far 0 38 0 - 6.6-7.1 HA TYR 41 - HG LEU 38 far 0 47 0 - 6.9-9.7 HA ALA 89 - HG LEU 29 far 0 71 0 - 7.2-9.6 HA2 GLY 101 - HG13 ILE 52 far 0 46 0 - 7.2-12.3 HA ALA 67 - HG LEU 64 far 0 29 0 - 7.2-8.3 HA LYS 40 - HG LEU 38 far 0 73 0 - 7.3-9.8 HA GLU 43 - HG13 ILE 52 far 0 56 0 - 7.6-10.9 HA3 GLY 101 - HG13 ILE 52 far 0 56 0 - 8.1-12.4 HA LYS 94 - HG3 ARG 91 far 0 90 0 - 8.4-9.8 HA2 GLY 100 - HG13 ILE 52 far 0 46 0 - 8.5-13.3 HA LYS 40 - HG13 ILE 76 far 0 74 0 - 8.6-10.0 HA LYS 12 - HG LEU 29 far 0 47 0 - 9.2-11.1 HA TYR 41 - HG13 ILE 76 far 0 48 0 - 9.6-10.4 HA LYS 94 - HG LEU 29 far 0 62 0 - 9.7-13.1 HB3 SER 9 - HG LEU 29 far 0 40 0 - 9.7-11.1 HA GLU 43 - HG LEU 38 far 0 88 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 4055 from cnoeabs.peaks (1.49, 1.45, 26.80 ppm; diagonal): 4 out of 4 assignments used, quality = 0.97: HG3 ARG 91 + HG3 ARG 91 OK 70 70 - 100 HG LEU 38 + HG LEU 38 OK 67 67 - 100 HG LEU 64 + HG LEU 64 OK 51 51 - 100 HG13 ILE 52 + HG13 ILE 52 OK 38 38 - 100 Reference assignment not found: HB2 ARG 91 - HG3 ARG 91 Peak 4056 from cnoeabs.peaks (1.68, 1.45, 26.80 ppm; 3.16 A): 5 out of 47 assignments used, quality = 1.00: * HB3 ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.4-3.0 2.8=100 HD3 LYS 90 + HG3 ARG 91 OK 59 97 90 68 2.1-4.9 4039/1.8=19...(17) HB ILE 52 + HG13 ILE 52 OK 53 53 100 100 2.3-3.0 3.0=100 HB ILE 76 + HG13 ILE 76 OK 49 49 100 100 3.0-3.0 3.0=100 HG LEU 70 + HG LEU 38 OK 40 81 80 61 3.6-6.5 12070/2.1=16, 10959=11...(22) HD3 LYS 68 - HG LEU 64 poor 18 33 75 75 3.0-5.5 10264/2.1=19, ~12320=18...(19) HB2 LEU 2 - HG13 ILE 52 poor 17 48 35 - 2.0-7.9 HB3 LEU 70 - HG LEU 38 far 0 57 0 - 4.7-6.8 HD2 LYS 68 - HG LEU 64 far 0 34 0 - 4.7-6.5 HB3 LEU 6 - HG LEU 38 far 0 56 0 - 4.8-8.6 HB3 LYS 53 - HG13 ILE 52 far 0 57 0 - 5.1-7.8 HB3 LEU 6 - HG LEU 29 far 0 46 0 - 5.4-8.2 HD2 LYS 39 - HG LEU 38 far 0 66 0 - 5.6-8.4 HD3 LYS 66 - HG LEU 38 far 0 78 0 - 5.7-9.9 HB ILE 76 - HG13 ILE 52 far 0 28 0 - 5.7-9.9 HB3 LYS 40 - HG LEU 38 far 0 89 0 - 6.3-8.9 HB2 LYS 40 - HG LEU 38 far 0 52 0 - 6.4-9.2 HG12 ILE 15 - HG LEU 29 far 0 73 0 - 6.4-8.1 HB ILE 52 - HG13 ILE 76 far 0 85 0 - 6.9-8.9 HD2 LYS 20 - HG LEU 29 far 0 75 0 - 7.2-11.2 HD3 LYS 66 - HG LEU 64 far 0 44 0 - 7.2-9.2 HG2 PRO 86 - HG3 ARG 91 far 0 99 0 - 7.6-8.1 HG3 LYS 20 - HG LEU 29 far 0 74 0 - 7.7-10.1 HD3 LYS 20 - HG LEU 29 far 0 74 0 - 7.8-11.5 HD3 LYS 47 - HG13 ILE 76 far 0 90 0 - 8.3-10.8 HB3 LEU 70 - HG13 ILE 76 far 0 58 0 - 8.3-10.0 HD2 LYS 47 - HG13 ILE 76 far 0 90 0 - 8.4-11.3 HB ILE 76 - HG LEU 38 far 0 49 0 - 8.4-11.2 HG LEU 70 - HG LEU 64 far 0 46 0 - 8.5-9.9 HG3 LYS 20 - HG3 ARG 91 far 0 99 0 - 8.6-13.3 HB3 ARG 79 - HG13 ILE 52 far 0 39 0 - 8.7-12.6 HD2 LYS 20 - HG3 ARG 91 far 0 100 0 - 8.7-12.8 HD2 LYS 68 - HG LEU 38 far 0 62 0 - 8.9-13.1 HD2 LYS 73 - HG LEU 38 far 0 82 0 - 8.9-11.3 HB3 ARG 79 - HG LEU 64 far 0 36 0 - 9.1-11.4 HD3 LYS 90 - HG LEU 29 far 0 70 0 - 9.1-12.9 HD3 LYS 73 - HG LEU 38 far 0 80 0 - 9.1-12.5 HB2 LEU 2 - HG13 ILE 76 far 0 79 0 - 9.2-14.1 HD3 LYS 68 - HG LEU 38 far 0 61 0 - 9.3-12.2 HD3 LYS 47 - HG13 ILE 52 far 0 57 0 - 9.3-13.4 HD2 LYS 13 - HG3 ARG 91 far 0 94 0 - 9.5-14.4 HB3 LYS 53 - HG13 ILE 76 far 0 89 0 - 9.6-11.6 HD3 LYS 13 - HG3 ARG 91 far 0 92 0 - 9.6-14.4 HB3 LEU 6 - HG LEU 64 far 0 29 0 - 9.7-11.8 HD2 LYS 12 - HG LEU 29 far 0 67 0 - 9.7-12.4 HD3 LYS 20 - HG3 ARG 91 far 0 99 0 - 9.8-13.5 HB3 LEU 6 - HG13 ILE 52 far 0 33 0 - 9.8-14.6 Violated in 0 structures by 0.00 A. Peak 4057 from cnoeabs.peaks (1.08, 1.45, 26.80 ppm; 2.62 A): 3 out of 8 assignments used, quality = 1.00: * HG2 ARG 91 + HG3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HG12 ILE 76 + HG13 ILE 76 OK 86 86 100 100 1.8-1.8 1.8=100 HG12 ILE 52 + HG13 ILE 52 OK 30 30 100 100 1.8-1.8 1.8=100 HG12 ILE 52 - HG13 ILE 76 far 0 53 0 - 4.7-8.9 HG2 LYS 82 - HG LEU 64 far 0 47 0 - 4.8-6.4 HG12 ILE 76 - HG13 ILE 52 far 0 54 0 - 6.8-10.8 HB3 ARG 81 - HG LEU 64 far 0 43 0 - 7.5-8.5 HG12 ILE 76 - HG LEU 38 far 0 85 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 4058 from cnoeabs.peaks (1.45, 1.45, 26.80 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HG3 ARG 91 + HG3 ARG 91 OK 100 100 - 100 HG LEU 38 + HG LEU 38 OK 88 88 - 100 HG13 ILE 76 + HG13 ILE 76 OK 82 82 - 100 HG LEU 29 + HG LEU 29 OK 68 68 - 100 HG13 ILE 52 + HG13 ILE 52 OK 56 56 - 100 HG LEU 64 + HG LEU 64 OK 36 36 - 100 Peak 4059 from cnoeabs.peaks (2.49, 1.45, 26.80 ppm; 4.08 A): 3 out of 14 assignments used, quality = 1.00: * HD2 ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.2-2.9 2.9=100 HB3 ASP 87 + HG3 ARG 91 OK 90 99 100 91 2.2-3.9 4050/1.8=26, 4.0/4061=20...(25) HB2 ASP 87 + HG3 ARG 91 OK 89 99 100 91 2.2-3.9 4050/1.8=24, 4.0/4061=20...(24) HG3 GLU 23 - HG LEU 29 far 4 76 5 - 5.1-8.8 HB2 ASP 61 - HG LEU 64 far 0 40 0 - 5.6-7.7 HB3 TYR 4 - HG13 ILE 52 far 0 39 0 - 5.6-9.3 HB2 ASP 36 - HG LEU 38 far 0 78 0 - 5.9-9.8 HB3 ASP 36 - HG LEU 38 far 0 77 0 - 5.9-9.6 HB3 TYR 4 - HG LEU 29 far 0 54 0 - 6.4-8.8 HG3 GLU 63 - HG LEU 64 far 0 35 0 - 6.8-8.8 HG3 GLU 63 - HG LEU 38 far 0 64 0 - 7.2-10.3 HG3 GLU 95 - HG3 ARG 91 far 0 59 0 - 7.4-10.5 HB3 TYR 4 - HG LEU 38 far 0 66 0 - 9.3-12.8 HB3 TYR 4 - HG13 ILE 76 far 0 66 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 4060 from cnoeabs.peaks (2.66, 1.45, 26.80 ppm; 4.02 A): 3 out of 15 assignments used, quality = 1.00: * HD3 ARG 91 + HG3 ARG 91 OK 100 100 100 100 2.2-3.0 2.9=100 HG3 MET 74 + HG13 ILE 76 OK 47 48 100 98 3.4-5.3 ~9664=37, ~9606=31...(23) HB3 ASP 65 + HG LEU 64 OK 40 42 100 96 3.9-5.3 ~9503=33, 9495=23...(25) HB3 ASP 77 - HG13 ILE 52 poor 14 40 35 - 2.8-7.9 HB3 TYR 41 - HG LEU 38 far 4 72 5 - 5.2-8.4 HB3 ASN 51 - HG13 ILE 52 far 0 53 0 - 5.8-8.5 HD2 ARG 30 - HG LEU 29 far 0 73 0 - 6.4-9.5 HB3 ASP 77 - HG13 ILE 76 far 0 68 0 - 6.5-8.1 HG3 MET 74 - HG LEU 38 far 0 47 0 - 7.2-10.1 HB3 ASP 65 - HG LEU 38 far 0 76 0 - 7.9-12.2 HB3 TYR 41 - HG LEU 29 far 0 60 0 - 8.2-10.9 HG3 MET 74 - HG13 ILE 52 far 0 27 0 - 8.5-12.3 HB3 TYR 41 - HG13 ILE 52 far 0 44 0 - 9.4-12.7 HD2 ARG 30 - HG LEU 38 far 0 85 0 - 9.6-13.3 HB3 TYR 41 - HG13 ILE 76 far 0 72 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 4061 from cnoeabs.peaks (8.14, 1.45, 26.80 ppm; 4.62 A): 2 out of 5 assignments used, quality = 1.00: * H TRP 92 + HG3 ARG 91 OK 100 100 100 100 4.1-4.4 7458/2.8=82, 7459/1.8=77...(13) H ASP 87 + HG3 ARG 91 OK 94 100 100 94 4.4-4.9 4052/1.8=34, 4070/2.9=23...(17) H HIS 106 - HG LEU 64 far 2 45 5 - 5.3-20.9 H TRP 92 - HG LEU 29 far 0 76 0 - 9.1-12.0 H HIS 106 - HG3 ARG 91 far 0 94 0 - 10.0-23.4 Violated in 0 structures by 0.00 A. Peak 4062 from cnoeabs.peaks (7.47, 2.49, 43.24 ppm; 5.01 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + HD2 ARG 91 OK 100 100 100 100 3.1-4.7 4025/3.5=81, 7444/2.9=78...(23) HZ2 TRP 92 - HD2 ARG 91 far 0 91 0 - 7.1-10.8 HE3 TRP 92 - HD2 ARG 91 far 0 59 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 4063 from cnoeabs.peaks (3.89, 2.49, 43.24 ppm; 5.08 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.1-4.9 4.8=100 HB2 SER 85 - HD2 ARG 91 far 14 96 15 - 6.5-10.2 HA LYS 94 - HD2 ARG 91 far 0 90 0 - 6.9-11.3 HA ALA 89 - HD2 ARG 91 far 0 98 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 4064 from cnoeabs.peaks (1.49, 2.49, 43.24 ppm; 3.66 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.7-3.8 3.5=100 HG3 ARG 91 + HD2 ARG 91 OK 70 70 100 100 2.2-2.9 2.9=100 HG2 LYS 20 - HD2 ARG 91 far 0 79 0 - 8.7-14.6 HG3 LYS 24 - HD2 ARG 91 far 0 90 0 - 9.1-16.3 HG LEU 57 - HD2 ARG 91 far 0 96 0 - 9.2-10.8 HB2 LEU 14 - HD2 ARG 91 far 0 65 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 4065 from cnoeabs.peaks (1.68, 2.49, 43.24 ppm; 4.15 A): 2 out of 8 assignments used, quality = 1.00: * HB3 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.0-3.8 3.5=100 HD3 LYS 90 + HD2 ARG 91 OK 61 97 75 84 2.3-6.5 4039/2.9=26...(24) HG3 LYS 20 - HD2 ARG 91 far 0 99 0 - 7.7-15.3 HG2 PRO 86 - HD2 ARG 91 far 0 99 0 - 8.1-10.1 HD2 LYS 20 - HD2 ARG 91 far 0 100 0 - 8.2-15.0 HD2 LYS 24 - HD2 ARG 91 far 0 98 0 - 9.1-17.5 HD3 LYS 20 - HD2 ARG 91 far 0 99 0 - 9.2-15.9 HD3 LYS 24 - HD2 ARG 91 far 0 97 0 - 9.7-17.7 Violated in 0 structures by 0.00 A. Peak 4066 from cnoeabs.peaks (1.08, 2.49, 43.24 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.6-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4067 from cnoeabs.peaks (1.45, 2.49, 43.24 ppm; 3.50 A): 2 out of 4 assignments used, quality = 1.00: * HG3 ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.2-2.9 2.9=100 HB2 ARG 91 + HD2 ARG 91 OK 69 70 100 100 2.7-3.8 3.5=100 HG2 LYS 20 - HD2 ARG 91 far 0 100 0 - 8.7-14.6 QB ALA 22 - HD2 ARG 91 far 0 95 0 - 9.0-13.0 Violated in 0 structures by 0.00 A. Peak 4068 from cnoeabs.peaks (2.49, 2.49, 43.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 91 + HD2 ARG 91 OK 100 100 - 100 Peak 4069 from cnoeabs.peaks (2.66, 2.49, 43.24 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 91 + HD2 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4070 from cnoeabs.peaks (8.14, 2.49, 43.24 ppm; 5.62 A): 2 out of 3 assignments used, quality = 1.00: * H TRP 92 + HD2 ARG 91 OK 100 100 100 100 5.0-6.3 7458/3.5=92, 4033/3.5=87...(13) H ASP 87 + HD2 ARG 91 OK 95 100 100 96 5.0-6.8 4061/2.9=42, 4052/2.9=39...(14) H HIS 106 - HD2 ARG 91 far 0 94 0 - 8.8-24.5 Violated in 0 structures by 0.00 A. Peak 4071 from cnoeabs.peaks (7.47, 2.66, 43.24 ppm; 5.23 A): 1 out of 3 assignments used, quality = 1.00: * H ARG 91 + HD3 ARG 91 OK 100 100 100 100 4.1-4.9 7447=86, 4062/1.8=86...(20) HZ2 TRP 92 - HD3 ARG 91 far 5 91 5 - 6.7-10.6 HE3 TRP 92 - HD3 ARG 91 far 0 59 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 4072 from cnoeabs.peaks (3.89, 2.66, 43.24 ppm; 5.23 A): 1 out of 4 assignments used, quality = 1.00: * HA ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.5-4.8 4.8=100 HB2 SER 85 - HD3 ARG 91 far 5 96 5 - 6.6-10.6 HA LYS 94 - HD3 ARG 91 far 0 90 0 - 7.3-11.1 HA ALA 89 - HD3 ARG 91 far 0 98 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 4073 from cnoeabs.peaks (1.49, 2.66, 43.24 ppm; 3.59 A): 2 out of 4 assignments used, quality = 1.00: * HB2 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.4-3.7 3.5=100 HG3 ARG 91 + HD3 ARG 91 OK 70 70 100 100 2.2-3.0 2.9=100 HB3 LEU 103 - HD3 ARG 91 far 0 63 0 - 8.5-20.9 HG LEU 57 - HD3 ARG 91 far 0 96 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 4074 from cnoeabs.peaks (1.68, 2.66, 43.24 ppm; 4.09 A): 2 out of 5 assignments used, quality = 1.00: * HB3 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.1-3.7 3.5=100 HD3 LYS 90 + HD3 ARG 91 OK 20 97 25 84 3.7-7.5 4065/1.8=28, 4039/2.9=25...(23) HG2 PRO 86 - HD3 ARG 91 far 0 99 0 - 8.6-10.7 HG3 LYS 20 - HD3 ARG 91 far 0 99 0 - 9.3-15.9 HD2 LYS 20 - HD3 ARG 91 far 0 100 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 4075 from cnoeabs.peaks (1.08, 2.66, 43.24 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.3-3.0 2.9=100 Violated in 0 structures by 0.00 A. Peak 4076 from cnoeabs.peaks (1.45, 2.66, 43.24 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 ARG 91 + HD3 ARG 91 OK 69 70 100 99 2.4-3.7 3.5=96, 4067/1.8=29...(27) Violated in 0 structures by 0.00 A. Peak 4077 from cnoeabs.peaks (2.49, 2.66, 43.24 ppm; 2.65 A): 3 out of 4 assignments used, quality = 1.00: * HD2 ARG 91 + HD3 ARG 91 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 ASP 87 + HD3 ARG 91 OK 25 99 50 52 2.6-5.7 4050/2.9=8, 4059/2.9=8...(19) HB2 ASP 87 + HD3 ARG 91 OK 20 99 40 51 2.0-6.2 4059/2.9=8, 4050/2.9=8...(19) HG3 GLU 95 - HD3 ARG 91 far 0 59 0 - 6.1-10.0 Violated in 0 structures by 0.00 A. Peak 4078 from cnoeabs.peaks (2.66, 2.66, 43.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 91 + HD3 ARG 91 OK 100 100 - 100 Peak 4079 from cnoeabs.peaks (8.14, 2.66, 43.24 ppm; 6.03 A): 2 out of 3 assignments used, quality = 1.00: * H TRP 92 + HD3 ARG 91 OK 100 100 100 100 5.3-6.1 7458/3.5=96, 4033/3.5=93...(8) H ASP 87 + HD3 ARG 91 OK 97 100 100 98 5.3-7.5 4061/2.9=45, 4070/1.8=44...(13) H HIS 106 - HD3 ARG 91 far 0 94 0 - 8.6-23.7 Violated in 0 structures by 0.00 A. Peak 4080 from cnoeabs.peaks (8.14, 4.82, 58.66 ppm; 5.55 A): 1 out of 4 assignments used, quality = 1.00: * H TRP 92 + HA TRP 92 OK 100 100 100 100 2.8-2.9 2.9=100 H HIS 106 - HA TRP 92 far 0 94 0 - 7.5-18.1 H GLY 100 - HA TRP 92 far 0 100 0 - 8.7-10.5 H ASP 87 - HA TRP 92 far 0 100 0 - 9.6-9.9 Violated in 0 structures by 0.00 A. Peak 4081 from cnoeabs.peaks (4.82, 4.82, 58.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TRP 92 + HA TRP 92 OK 100 100 - 100 Peak 4082 from cnoeabs.peaks (3.10, 4.82, 58.66 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HB2 TRP 92 + HA TRP 92 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 PHE 96 - HA TRP 92 far 0 100 0 - 5.4-6.4 HB3 HIS 105 - HA TRP 92 far 0 65 0 - 5.5-18.4 HB2 HIS 105 - HA TRP 92 far 0 87 0 - 6.5-17.6 HD3 ARG 79 - HA TRP 92 far 0 82 0 - 7.6-12.4 HD2 ARG 79 - HA TRP 92 far 0 79 0 - 7.9-12.7 Violated in 0 structures by 0.00 A. Peak 4083 from cnoeabs.peaks (3.19, 4.82, 58.66 ppm; 3.74 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 92 + HA TRP 92 OK 100 100 100 100 2.5-3.0 3.0=100 HB2 HIS 106 - HA TRP 92 far 0 99 0 - 6.8-19.4 Violated in 0 structures by 0.00 A. Peak 4084 from cnoeabs.peaks (6.87, 4.82, 58.66 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 92 + HA TRP 92 OK 100 100 100 100 2.3-2.6 4.5=100 Violated in 0 structures by 0.00 A. Peak 4085 from cnoeabs.peaks (7.43, 4.82, 58.66 ppm; 6.50 A): 3 out of 3 assignments used, quality = 1.00: * HE3 TRP 92 + HA TRP 92 OK 100 100 100 100 4.9-5.1 4.8=100 H ALA 89 + HA TRP 92 OK 100 100 100 100 6.7-7.0 7429/10983=88...(13) H ARG 91 + HA TRP 92 OK 59 59 100 99 5.1-5.3 7455/2.9=59...(11) Violated in 0 structures by 0.00 A. Peak 4090 from cnoeabs.peaks (8.36, 4.82, 58.66 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * H ILE 93 + HA TRP 92 OK 100 100 100 100 3.4-3.5 3.6=100 H GLU 95 + HA TRP 92 OK 100 100 100 100 3.3-4.0 7525=98, 7540/4093=61...(9) Violated in 0 structures by 0.00 A. Peak 4091 from cnoeabs.peaks (8.36, 4.82, 58.66 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: H ILE 93 + HA TRP 92 OK 100 100 100 100 3.4-3.5 3.6=100 * H GLU 95 + HA TRP 92 OK 100 100 100 100 3.3-4.0 7525=98, 7540/4093=61...(9) Violated in 0 structures by 0.00 A. Peak 4092 from cnoeabs.peaks (2.20, 4.82, 58.66 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.99: * HB2 GLU 95 + HA TRP 92 OK 99 100 100 99 2.4-4.9 4284=76, 7539/7525=59...(9) HG2 GLU 99 - HA TRP 92 far 0 95 0 - 7.2-9.4 HG2 GLU 98 - HA TRP 92 far 0 99 0 - 9.6-11.0 Violated in 3 structures by 0.07 A. Peak 4093 from cnoeabs.peaks (2.16, 4.82, 58.66 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.82: * HB3 GLU 95 + HA TRP 92 OK 82 100 85 96 3.7-5.9 1.8/4284=56...(7) HG2 GLU 104 - HA TRP 92 far 10 99 10 - 2.6-14.0 HG2 GLU 88 - HA TRP 92 far 0 95 0 - 6.0-8.2 Violated in 18 structures by 0.59 A. Peak 4094 from cnoeabs.peaks (3.90, 3.10, 29.79 ppm; 5.29 A): 2 out of 11 assignments used, quality = 1.00: * HA ALA 89 + HB2 TRP 92 OK 100 100 100 100 2.8-4.8 3905=100, 3906/1.8=85...(17) HA ARG 91 + HB2 TRP 92 OK 96 98 100 99 5.8-6.6 3.6/7464=89, ~10983=41...(11) HB2 SER 102 - HB2 HIS 105 far 3 59 5 - 5.9-13.4 HB2 SER 102 - HB2 TRP 92 far 0 100 0 - 7.0-17.4 HA2 GLY 100 - HB2 HIS 105 far 0 34 0 - 7.2-18.5 HA3 GLY 101 - HB2 TRP 92 far 0 99 0 - 7.6-14.9 HA LYS 94 - HB2 TRP 92 far 0 68 0 - 7.7-8.2 HA2 GLY 101 - HB2 TRP 92 far 0 68 0 - 7.9-15.0 HA ARG 91 - HB2 HIS 105 far 0 56 0 - 8.8-21.9 HB2 SER 85 - HB2 TRP 92 far 0 100 0 - 9.0-10.9 HA ALA 89 - HB2 HIS 105 far 0 61 0 - 9.3-21.1 Violated in 0 structures by 0.00 A. Peak 4095 from cnoeabs.peaks (8.14, 3.10, 29.79 ppm; 4.18 A): 2 out of 7 assignments used, quality = 1.00: * H TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.3-3.6 4.0=100 H HIS 106 + HB2 HIS 105 OK 44 52 100 84 2.1-4.5 4.7=72, 11097/1.8=33...(4) H GLY 100 - HB2 HIS 105 far 0 61 0 - 7.7-17.9 H TRP 92 - HB2 HIS 105 far 0 61 0 - 7.9-20.0 H HIS 106 - HB2 TRP 92 far 0 94 0 - 8.0-17.5 H ASP 87 - HB2 TRP 92 far 0 100 0 - 8.4-10.2 H GLY 100 - HB2 TRP 92 far 0 100 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 4096 from cnoeabs.peaks (4.82, 3.10, 29.79 ppm; 4.28 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.5-3.0 3.0=100 HA TRP 92 - HB2 HIS 105 far 0 61 0 - 6.5-17.6 HA VAL 83 - HB2 TRP 92 far 0 90 0 - 7.2-8.5 HA VAL 83 - HB2 HIS 105 far 0 49 0 - 7.8-21.7 Violated in 0 structures by 0.00 A. Peak 4097 from cnoeabs.peaks (3.10, 3.10, 29.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 TRP 92 + HB2 TRP 92 OK 100 100 - 100 HB2 HIS 105 + HB2 HIS 105 OK 47 47 - 100 Peak 4098 from cnoeabs.peaks (3.19, 3.10, 29.79 ppm; 3.09 A): 1 out of 4 assignments used, quality = 1.00: * HB3 TRP 92 + HB2 TRP 92 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 106 - HB2 HIS 105 poor 14 57 25 - 3.5-6.9 HB2 HIS 106 - HB2 TRP 92 far 0 99 0 - 7.2-19.7 HB3 TRP 92 - HB2 HIS 105 far 0 61 0 - 7.3-18.7 Violated in 0 structures by 0.00 A. Peak 4099 from cnoeabs.peaks (6.87, 3.10, 29.79 ppm; 4.61 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 92 + HB2 TRP 92 OK 100 100 100 100 3.5-3.8 3.9=100 HD1 TRP 92 - HB2 HIS 105 far 3 61 5 - 5.5-18.6 HE21 GLN 72 - HB2 HIS 105 far 0 52 0 - 7.4-24.0 Violated in 0 structures by 0.00 A. Peak 4100 from cnoeabs.peaks (7.43, 3.10, 29.79 ppm; 4.90 A): 3 out of 7 assignments used, quality = 1.00: * HE3 TRP 92 + HB2 TRP 92 OK 100 100 100 100 2.7-3.2 4.2=100 H ALA 89 + HB2 TRP 92 OK 69 100 70 99 4.7-6.6 3.0/3905=73, 9934/3.9=52...(13) H ARG 91 + HB2 TRP 92 OK 57 59 100 96 4.6-6.3 4.6/7464=66, 3.0/4094=30...(12) HE3 TRP 92 - HB2 HIS 105 far 3 61 5 - 6.2-16.8 HE22 GLN 72 - HB2 HIS 105 far 0 58 0 - 7.6-24.7 H ALA 89 - HB2 HIS 105 far 0 60 0 - 9.8-22.9 H ARG 91 - HB2 HIS 105 far 0 29 0 - 9.9-22.5 Violated in 0 structures by 0.00 A. Peak 4105 from cnoeabs.peaks (8.36, 3.10, 29.79 ppm; 5.13 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 93 + HB2 TRP 92 OK 100 100 100 100 3.0-4.0 4.5=100 H GLU 95 + HB2 TRP 92 OK 98 100 100 98 5.5-6.4 7525/3.0=84, 10038=48...(9) H GLU 95 - HB2 HIS 105 far 0 60 0 - 7.5-19.5 H ILE 93 - HB2 HIS 105 far 0 61 0 - 9.5-20.6 Violated in 0 structures by 0.00 A. Peak 4106 from cnoeabs.peaks (3.90, 3.19, 29.79 ppm; 5.12 A): 2 out of 14 assignments used, quality = 1.00: * HA ALA 89 + HB3 TRP 92 OK 100 100 100 100 2.9-4.9 3906=100, 3905/1.8=92...(15) HA ARG 91 + HB3 TRP 92 OK 58 98 60 98 5.7-6.6 3.6/7465=82, ~10983=38...(13) HB2 SER 102 - HB2 HIS 106 far 4 83 5 - 5.3-16.5 HA LYS 94 - HB3 TRP 92 far 0 68 0 - 7.7-8.1 HB2 SER 85 - HB2 HIS 106 far 0 84 0 - 7.9-28.1 HA3 GLY 101 - HB2 HIS 106 far 0 82 0 - 8.3-17.5 HA3 GLY 101 - HB3 TRP 92 far 0 99 0 - 8.4-16.2 HA ALA 89 - HB2 HIS 106 far 0 84 0 - 8.5-22.5 HB2 SER 102 - HB3 TRP 92 far 0 100 0 - 8.6-18.9 HA ARG 91 - HB2 HIS 106 far 0 79 0 - 8.6-23.7 HB2 SER 85 - HB3 TRP 92 far 0 100 0 - 9.0-10.8 HA2 GLY 100 - HB2 HIS 106 far 0 50 0 - 9.1-22.1 HA2 GLY 101 - HB3 TRP 92 far 0 68 0 - 9.3-16.3 HA2 GLY 101 - HB2 HIS 106 far 0 50 0 - 9.8-18.1 Violated in 0 structures by 0.00 A. Peak 4107 from cnoeabs.peaks (8.14, 3.19, 29.79 ppm; 4.20 A): 2 out of 8 assignments used, quality = 1.00: * H TRP 92 + HB3 TRP 92 OK 100 100 100 100 2.3-3.6 4.0=100 H HIS 106 + HB2 HIS 106 OK 75 75 100 100 2.2-4.0 4.0=100 H TRP 92 - HB2 HIS 106 far 0 84 0 - 7.2-21.2 H HIS 106 - HB3 TRP 92 far 0 94 0 - 7.5-18.7 H ASP 87 - HB3 TRP 92 far 0 100 0 - 8.4-10.2 H ASP 87 - HB2 HIS 106 far 0 84 0 - 9.2-27.9 H GLY 100 - HB3 TRP 92 far 0 100 0 - 9.3-11.5 H GLY 100 - HB2 HIS 106 far 0 84 0 - 9.8-21.7 Violated in 0 structures by 0.00 A. Peak 4108 from cnoeabs.peaks (4.82, 3.19, 29.79 ppm; 4.05 A): 1 out of 4 assignments used, quality = 1.00: * HA TRP 92 + HB3 TRP 92 OK 100 100 100 100 2.5-3.0 3.0=100 HA VAL 83 - HB2 HIS 106 far 0 70 0 - 5.9-24.4 HA TRP 92 - HB2 HIS 106 far 0 84 0 - 6.8-19.4 HA VAL 83 - HB3 TRP 92 far 0 90 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 4109 from cnoeabs.peaks (3.10, 3.19, 29.79 ppm; 2.89 A): 1 out of 11 assignments used, quality = 1.00: * HB2 TRP 92 + HB3 TRP 92 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 105 - HB2 HIS 106 poor 17 67 25 - 3.5-6.9 HB3 HIS 105 - HB2 HIS 106 far 0 49 0 - 4.6-7.6 HB2 PHE 96 - HB3 TRP 92 far 0 100 0 - 5.4-6.2 HD3 ARG 79 - HB3 TRP 92 far 0 82 0 - 5.5-11.6 HB3 HIS 105 - HB3 TRP 92 far 0 65 0 - 6.2-19.3 HD2 ARG 79 - HB3 TRP 92 far 0 79 0 - 6.3-12.1 HB2 TRP 92 - HB2 HIS 106 far 0 84 0 - 7.2-19.7 HB2 HIS 105 - HB3 TRP 92 far 0 87 0 - 7.3-18.7 HD3 ARG 79 - HB2 HIS 106 far 0 63 0 - 7.9-16.2 HD2 ARG 79 - HB2 HIS 106 far 0 60 0 - 8.8-16.4 Violated in 0 structures by 0.00 A. Peak 4110 from cnoeabs.peaks (3.19, 3.19, 29.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 TRP 92 + HB3 TRP 92 OK 100 100 - 100 HB2 HIS 106 + HB2 HIS 106 OK 81 81 - 100 Peak 4111 from cnoeabs.peaks (6.87, 3.19, 29.79 ppm; 4.59 A): 1 out of 3 assignments used, quality = 1.00: * HD1 TRP 92 + HB3 TRP 92 OK 100 100 100 100 3.4-3.7 3.9=100 HD1 TRP 92 - HB2 HIS 106 far 8 84 10 - 4.7-20.0 HE21 GLN 72 - HB2 HIS 106 far 0 75 0 - 6.6-23.7 Violated in 0 structures by 0.00 A. Peak 4112 from cnoeabs.peaks (7.43, 3.19, 29.79 ppm; 4.67 A): 3 out of 7 assignments used, quality = 1.00: * HE3 TRP 92 + HB3 TRP 92 OK 100 100 100 100 2.7-3.2 4.2=100 H ARG 91 + HB3 TRP 92 OK 49 59 90 92 4.5-6.3 4.6/7465=57...(9) H ALA 89 + HB3 TRP 92 OK 29 100 30 98 4.7-6.6 3.0/3906=57, ~3905=48...(11) HE3 TRP 92 - HB2 HIS 106 far 0 84 0 - 6.9-19.0 HE22 GLN 72 - HB2 HIS 106 far 0 81 0 - 7.6-24.5 H ALA 89 - HB2 HIS 106 far 0 83 0 - 7.8-24.5 H ARG 91 - HB2 HIS 106 far 0 44 0 - 8.4-23.6 Violated in 0 structures by 0.00 A. Peak 4117 from cnoeabs.peaks (8.36, 3.19, 29.79 ppm; 4.89 A): 2 out of 4 assignments used, quality = 1.00: * H ILE 93 + HB3 TRP 92 OK 100 100 100 100 2.7-4.1 4.5=100 H GLU 95 + HB3 TRP 92 OK 91 100 100 92 5.1-6.2 7525/3.0=79, 4105/1.8=37...(7) H ILE 93 - HB2 HIS 106 far 0 84 0 - 9.4-22.1 H GLU 95 - HB2 HIS 106 far 0 84 0 - 9.4-22.2 Violated in 0 structures by 0.00 A. Peak 4118 from cnoeabs.peaks (8.36, 3.54, 66.22 ppm; 4.16 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HA ILE 93 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 95 + HA ILE 93 OK 98 100 100 98 4.4-5.1 7528/3.6=65, 4.5/7547=44...(14) H TYR 4 - HA ILE 93 far 0 100 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 4119 from cnoeabs.peaks (3.54, 3.54, 66.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HA ILE 93 OK 100 100 - 100 Peak 4120 from cnoeabs.peaks (1.80, 3.54, 66.22 ppm; 4.31 A): 1 out of 7 assignments used, quality = 1.00: * HB ILE 93 + HA ILE 93 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LEU 57 - HA ILE 93 far 0 91 0 - 6.6-8.0 HB2 GLU 104 - HA ILE 93 far 0 100 0 - 6.8-15.5 HB3 LYS 90 - HA ILE 93 far 0 75 0 - 7.1-7.6 HB2 LYS 90 - HA ILE 93 far 0 99 0 - 7.3-8.1 HB2 LYS 53 - HA ILE 93 far 0 61 0 - 8.4-10.3 HB2 GLU 88 - HA ILE 93 far 0 100 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 4121 from cnoeabs.peaks (0.75, 3.54, 66.22 ppm; 3.07 A): 5 out of 10 assignments used, quality = 1.00: * QG2 ILE 93 + HA ILE 93 OK 99 100 100 99 2.4-2.7 3.2=89, 3.1/4163=34...(31) HG13 ILE 93 + HA ILE 93 OK 97 100 100 97 2.2-2.8 4.0=46, 2.1/4163=41...(28) QD1 ILE 93 + HA ILE 93 OK 87 93 100 94 3.7-3.8 4163=42, 4162/3.0=29...(22) QG1 VAL 5 + HA ILE 93 OK 65 87 100 75 2.8-4.4 2.1/8176=25...(13) QD1 LEU 27 + HA ILE 93 OK 62 94 95 70 3.7-4.7 8645/10004=11...(24) QD2 LEU 27 - HA ILE 93 far 0 91 0 - 5.6-7.0 HG3 ARG 81 - HA ILE 93 far 0 99 0 - 6.5-9.6 QG1 VAL 54 - HA ILE 93 far 0 99 0 - 7.7-8.9 QD1 LEU 6 - HA ILE 93 far 0 92 0 - 8.4-11.0 HG13 ILE 56 - HA ILE 93 far 0 65 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 4122 from cnoeabs.peaks (2.04, 3.54, 66.22 ppm; 3.88 A): 2 out of 8 assignments used, quality = 1.00: * HG12 ILE 93 + HA ILE 93 OK 100 100 100 100 2.3-2.8 4.0=93, 2.1/4163=68...(22) HB2 MET 21 + HA ILE 93 OK 51 98 55 95 5.0-7.3 4166/4163=27...(19) HB3 LYS 94 - HA ILE 93 far 0 96 0 - 5.5-6.6 HB2 GLU 99 - HA ILE 93 far 0 100 0 - 7.3-10.5 HB3 GLU 99 - HA ILE 93 far 0 100 0 - 7.9-10.4 HB2 GLU 98 - HA ILE 93 far 0 100 0 - 8.5-9.2 HB3 GLU 17 - HA ILE 93 far 0 75 0 - 9.7-11.8 HB3 GLU 98 - HA ILE 93 far 0 100 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 4123 from cnoeabs.peaks (0.74, 3.54, 66.22 ppm; 3.07 A): 5 out of 13 assignments used, quality = 1.00: QG2 ILE 93 + HA ILE 93 OK 99 100 100 99 2.4-2.7 3.2=89, 3.1/4163=34...(31) * HG13 ILE 93 + HA ILE 93 OK 97 100 100 97 2.2-2.8 4.0=46, 2.1/4163=41...(28) QD1 ILE 93 + HA ILE 93 OK 78 84 100 93 3.7-3.8 4.2=41, 2.1/4122=29...(21) QG1 VAL 5 + HA ILE 93 OK 73 95 100 77 2.8-4.4 8195/9262=28...(14) QD1 LEU 27 + HA ILE 93 OK 54 85 95 67 3.7-4.7 8645/10004=10...(24) QD2 LEU 27 - HA ILE 93 far 0 97 0 - 5.6-7.0 HG3 ARG 81 - HA ILE 93 far 0 100 0 - 6.5-9.6 QD1 ILE 56 - HA ILE 93 far 0 65 0 - 7.7-9.4 QG1 VAL 54 - HA ILE 93 far 0 94 0 - 7.7-8.9 QD1 LEU 6 - HA ILE 93 far 0 82 0 - 8.4-11.0 QD2 LEU 14 - HA ILE 93 far 0 68 0 - 8.8-10.4 HG13 ILE 56 - HA ILE 93 far 0 79 0 - 9.4-11.8 QD1 ILE 8 - HA ILE 93 far 0 70 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 4124 from cnoeabs.peaks (0.77, 3.54, 66.22 ppm; 3.25 A): 5 out of 9 assignments used, quality = 1.00: * QD1 ILE 93 + HA ILE 93 OK 97 100 100 97 3.7-3.8 4163=55, 4162/3.0=37...(22) QG2 ILE 93 + HA ILE 93 OK 93 93 100 100 2.4-2.7 3.2=100 HG13 ILE 93 + HA ILE 93 OK 83 84 100 98 2.2-2.8 4.0=55, 2.1/4163=47...(28) QD1 LEU 27 + HA ILE 93 OK 77 100 100 77 3.7-4.7 8645/10004=14, 10140=11...(25) QD2 LEU 57 + HA ILE 93 OK 42 84 100 50 3.8-4.5 10217/9262=23, 9360=12...(9) HG3 ARG 81 - HA ILE 93 far 0 77 0 - 6.5-9.6 QG1 VAL 54 - HA ILE 93 far 0 99 0 - 7.7-8.9 QD1 LEU 6 - HA ILE 93 far 0 100 0 - 8.4-11.0 QG2 ILE 7 - HA ILE 93 far 0 79 0 - 8.9-10.7 Violated in 0 structures by 0.00 A. Peak 4125 from cnoeabs.peaks (8.26, 3.54, 66.22 ppm; 4.49 A): 1 out of 4 assignments used, quality = 1.00: * H LYS 94 + HA ILE 93 OK 100 100 100 100 3.5-3.6 3.6=100 H LEU 103 - HA ILE 93 far 0 88 0 - 8.2-13.9 H GLU 23 - HA ILE 93 far 0 98 0 - 8.3-9.6 H LEU 27 - HA ILE 93 far 0 88 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 4126 from cnoeabs.peaks (8.21, 3.54, 66.22 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 96 + HA ILE 93 OK 100 100 100 100 3.3-3.7 7547=100, 7522/3.6=70...(14) H SER 97 + HA ILE 93 OK 100 100 100 100 3.8-4.8 7565=81, 7571/4325=54...(17) H GLU 104 - HA ILE 93 far 0 100 0 - 6.9-14.7 H LEU 27 - HA ILE 93 far 0 79 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 4127 from cnoeabs.peaks (3.10, 3.54, 66.22 ppm; 4.07 A): 2 out of 6 assignments used, quality = 1.00: * HB2 PHE 96 + HA ILE 93 OK 100 100 100 100 2.1-3.3 4325=88, 1.8/4128=73...(20) HB2 TRP 92 + HA ILE 93 OK 83 100 100 83 4.3-4.5 9987/10009=40...(11) HD2 ARG 79 - HA ILE 93 far 0 82 0 - 6.7-11.9 HD3 ARG 79 - HA ILE 93 far 0 85 0 - 7.3-12.4 HB3 HIS 105 - HA ILE 93 far 0 70 0 - 9.3-20.6 HB2 HIS 105 - HA ILE 93 far 0 84 0 - 9.5-20.1 Violated in 0 structures by 0.00 A. Peak 4128 from cnoeabs.peaks (3.47, 3.54, 66.22 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HA ILE 93 OK 100 100 100 100 2.8-3.7 4334=95, 1.8/4325=75...(17) Violated in 0 structures by 0.00 A. Peak 4129 from cnoeabs.peaks (3.67, 1.80, 37.57 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: * HA LYS 90 + HB ILE 93 OK 100 100 100 100 2.2-3.0 10025/3.2=56...(23) HA GLU 88 - HB ILE 93 far 0 99 0 - 7.7-8.2 HA LEU 14 - HB ILE 93 far 0 98 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 4130 from cnoeabs.peaks (8.36, 1.80, 37.57 ppm; 3.71 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HB ILE 93 OK 100 100 100 100 2.2-2.5 7493=100, 7498/7507=50...(22) H GLU 95 + HB ILE 93 OK 61 100 70 86 4.9-5.8 7528/7507=55...(11) H TYR 4 - HB ILE 93 far 0 100 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 4131 from cnoeabs.peaks (3.54, 1.80, 37.57 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HB ILE 93 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4132 from cnoeabs.peaks (1.80, 1.80, 37.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 93 + HB ILE 93 OK 100 100 - 100 Peak 4133 from cnoeabs.peaks (0.75, 1.80, 37.57 ppm; 3.01 A): 5 out of 9 assignments used, quality = 1.00: * QG2 ILE 93 + HB ILE 93 OK 100 100 100 100 2.1-2.1 2.1=100 HG13 ILE 93 + HB ILE 93 OK 100 100 100 100 2.6-3.0 3.0=100 QD1 ILE 93 + HB ILE 93 OK 90 93 100 97 2.1-2.3 3.2=81, 4163/3.0=30...(21) QG1 VAL 5 + HB ILE 93 OK 51 87 75 79 4.2-4.8 ~10322=25, 10198/3.0=21...(15) QD1 LEU 27 + HB ILE 93 OK 22 94 40 58 4.2-5.5 10140/3.0=9, ~1209=8...(16) QD2 LEU 27 - HB ILE 93 far 0 91 0 - 6.4-8.0 HG3 ARG 81 - HB ILE 93 far 0 99 0 - 8.7-11.5 QG1 VAL 54 - HB ILE 93 far 0 99 0 - 9.3-10.4 QD1 LEU 6 - HB ILE 93 far 0 92 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 4134 from cnoeabs.peaks (2.04, 1.80, 37.57 ppm; 3.84 A): 3 out of 6 assignments used, quality = 1.00: * HG12 ILE 93 + HB ILE 93 OK 100 100 100 100 2.6-3.0 3.0=100 HB2 MET 21 + HB ILE 93 OK 97 98 100 99 2.4-4.3 3.0/10011=34...(25) HB3 LYS 94 + HB ILE 93 OK 22 96 25 92 4.3-6.0 4.0/7507=49, ~12249=24...(20) HB3 GLU 17 - HB ILE 93 far 0 75 0 - 7.2-9.0 HB2 GLU 98 - HB ILE 93 far 0 100 0 - 9.1-10.5 HB2 GLU 99 - HB ILE 93 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 4135 from cnoeabs.peaks (0.74, 1.80, 37.57 ppm; 3.01 A): 4 out of 11 assignments used, quality = 1.00: * HG13 ILE 93 + HB ILE 93 OK 100 100 100 100 2.6-3.0 3.0=100 QG2 ILE 93 + HB ILE 93 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 ILE 93 + HB ILE 93 OK 81 84 100 97 2.1-2.3 3.2=81, 4163/3.0=26...(21) QG1 VAL 5 + HB ILE 93 OK 57 95 75 81 4.2-4.8 ~10322=25, 10198/3.0=24...(15) QD1 LEU 27 - HB ILE 93 poor 19 85 40 56 4.2-5.5 ~1209=8, 10140/3.0=8...(16) QD2 LEU 27 - HB ILE 93 far 0 97 0 - 6.4-8.0 QD2 LEU 14 - HB ILE 93 far 0 68 0 - 8.1-9.5 HG3 ARG 81 - HB ILE 93 far 0 100 0 - 8.7-11.5 QD1 ILE 56 - HB ILE 93 far 0 65 0 - 9.0-11.4 QG1 VAL 54 - HB ILE 93 far 0 94 0 - 9.3-10.4 QD1 LEU 6 - HB ILE 93 far 0 82 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 4136 from cnoeabs.peaks (0.77, 1.80, 37.57 ppm; 3.14 A): 4 out of 9 assignments used, quality = 1.00: * QD1 ILE 93 + HB ILE 93 OK 99 100 100 99 2.1-2.3 3.2=92, 4163/3.0=36...(22) QG2 ILE 93 + HB ILE 93 OK 93 93 100 100 2.1-2.1 2.1=100 HG13 ILE 93 + HB ILE 93 OK 84 84 100 100 2.6-3.0 3.0=100 QD1 LEU 27 + HB ILE 93 OK 35 100 55 64 4.2-5.5 10140/3.0=11...(16) QD2 LEU 57 - HB ILE 93 far 0 84 0 - 4.8-6.1 QG2 ILE 7 - HB ILE 93 far 0 79 0 - 8.6-9.9 HG3 ARG 81 - HB ILE 93 far 0 77 0 - 8.7-11.5 QG1 VAL 54 - HB ILE 93 far 0 99 0 - 9.3-10.4 QD1 LEU 6 - HB ILE 93 far 0 100 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 4137 from cnoeabs.peaks (8.26, 1.80, 37.57 ppm; 3.95 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + HB ILE 93 OK 100 100 100 100 2.4-2.9 7507=100, 7498/7493=56...(27) H GLU 23 - HB ILE 93 far 0 98 0 - 6.7-7.8 H LEU 27 - HB ILE 93 far 0 88 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 4138 from cnoeabs.peaks (8.36, 0.75, 17.00 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + QG2 ILE 93 OK 100 100 100 100 3.6-3.8 4.0=100 H GLU 95 + QG2 ILE 93 OK 99 100 100 99 4.5-5.3 7528/4.3=62...(19) H TYR 4 - QG2 ILE 93 far 0 100 0 - 6.1-7.8 Violated in 0 structures by 0.00 A. Peak 4139 from cnoeabs.peaks (3.54, 0.75, 17.00 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + QG2 ILE 93 OK 100 100 100 100 2.4-2.7 3.2=100 Violated in 0 structures by 0.00 A. Peak 4140 from cnoeabs.peaks (1.80, 0.75, 17.00 ppm; 3.48 A): 2 out of 8 assignments used, quality = 1.00: * HB ILE 93 + QG2 ILE 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB3 LYS 90 + QG2 ILE 93 OK 30 75 45 88 4.7-5.6 3.0/10027=30, ~4129=24...(25) HB2 LYS 90 - QG2 ILE 93 far 0 99 0 - 5.2-6.3 HB3 LEU 57 - QG2 ILE 93 far 0 91 0 - 6.9-7.7 HB2 LYS 53 - QG2 ILE 93 far 0 61 0 - 7.0-9.4 HB2 GLU 104 - QG2 ILE 93 far 0 100 0 - 7.7-15.0 HB2 GLU 88 - QG2 ILE 93 far 0 100 0 - 9.5-10.5 HB VAL 78 - QG2 ILE 93 far 0 88 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 4141 from cnoeabs.peaks (0.75, 0.75, 17.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 93 + QG2 ILE 93 OK 100 100 - 100 Peak 4142 from cnoeabs.peaks (2.04, 0.75, 17.00 ppm; 3.63 A): 3 out of 10 assignments used, quality = 1.00: * HG12 ILE 93 + QG2 ILE 93 OK 100 100 100 100 2.2-3.2 3.2=100 HB2 MET 21 + QG2 ILE 93 OK 97 98 100 100 1.8-4.6 4.3/10319=36...(34) HB3 LYS 94 + QG2 ILE 93 OK 82 96 95 90 4.0-5.5 3.0/12249=37...(22) HB2 GLU 98 - QG2 ILE 93 far 0 100 0 - 7.1-8.1 HB3 GLU 17 - QG2 ILE 93 far 0 75 0 - 7.1-8.8 HB2 GLU 99 - QG2 ILE 93 far 0 100 0 - 7.6-10.0 HG2 GLU 28 - QG2 ILE 93 far 0 84 0 - 7.9-10.0 HB3 GLU 99 - QG2 ILE 93 far 0 100 0 - 7.9-10.0 HG3 GLU 28 - QG2 ILE 93 far 0 84 0 - 8.0-9.4 HB3 GLU 98 - QG2 ILE 93 far 0 100 0 - 8.0-9.0 Violated in 0 structures by 0.00 A. Peak 4143 from cnoeabs.peaks (0.74, 0.75, 17.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QG2 ILE 93 + QG2 ILE 93 OK 100 100 - 100 Reference assignment not found: HG13 ILE 93 - QG2 ILE 93 Peak 4144 from cnoeabs.peaks (0.77, 0.75, 17.00 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: QG2 ILE 93 + QG2 ILE 93 OK 93 93 - 100 Reference assignment not found: QD1 ILE 93 - QG2 ILE 93 Peak 4145 from cnoeabs.peaks (8.26, 0.75, 17.00 ppm; 4.32 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 94 + QG2 ILE 93 OK 100 100 100 100 2.4-3.5 4.3=100 H GLU 23 + QG2 ILE 93 OK 94 98 100 96 4.3-5.4 6354/11002=52...(19) H LEU 27 + QG2 ILE 93 OK 73 88 95 87 5.0-6.0 8638/10028=26...(14) H LEU 103 - QG2 ILE 93 far 0 88 0 - 8.8-13.8 Violated in 0 structures by 0.00 A. Peak 4146 from cnoeabs.peaks (8.36, 2.04, 30.82 ppm; 4.48 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 93 + HG12 ILE 93 OK 100 100 100 100 2.8-4.2 4.6=91, 7493/3.0=81...(17) H GLU 95 - HG12 ILE 93 far 0 100 0 - 6.3-7.6 H TYR 4 - HG12 ILE 93 far 0 100 0 - 7.3-9.8 Violated in 0 structures by 0.00 A. Peak 4147 from cnoeabs.peaks (3.54, 2.04, 30.82 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HG12 ILE 93 OK 100 100 100 100 2.3-2.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 4148 from cnoeabs.peaks (1.80, 2.04, 30.82 ppm; 4.39 A): 2 out of 7 assignments used, quality = 1.00: * HB ILE 93 + HG12 ILE 93 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 57 + HG12 ILE 93 OK 27 91 35 85 4.8-6.6 8277/10999=28...(15) HB2 LYS 90 - HG12 ILE 93 far 0 99 0 - 6.0-7.7 HB3 LYS 90 - HG12 ILE 93 far 0 75 0 - 6.1-7.0 HB2 GLU 88 - HG12 ILE 93 far 0 100 0 - 8.3-11.4 HB2 LYS 53 - HG12 ILE 93 far 0 61 0 - 8.7-11.9 HB2 GLU 104 - HG12 ILE 93 far 0 100 0 - 8.8-18.0 Violated in 0 structures by 0.00 A. Peak 4149 from cnoeabs.peaks (0.75, 2.04, 30.82 ppm; 3.04 A): 5 out of 14 assignments used, quality = 1.00: HG13 ILE 93 + HG12 ILE 93 OK 100 100 100 100 1.8-1.8 1.8=100 * QG2 ILE 93 + HG12 ILE 93 OK 98 100 100 98 2.2-3.2 3.2=87, 4.0/4146=22...(20) QD1 ILE 93 + HG12 ILE 93 OK 93 93 100 100 2.1-2.1 2.1=100 QG1 VAL 5 + HG12 ILE 93 OK 64 87 100 74 1.8-2.6 10198=27, 8195/9266=17...(14) QD1 LEU 27 + HG12 ILE 93 OK 37 94 80 49 3.4-5.8 10140/4.0=9, 10485=7...(15) QD2 LEU 27 - HG12 ILE 93 far 0 91 0 - 5.9-8.1 QG1 VAL 54 - HG12 ILE 93 far 0 99 0 - 6.9-8.7 QD1 LEU 6 - HG12 ILE 93 far 0 92 0 - 7.0-9.1 HG3 ARG 81 - HG12 ILE 93 far 0 99 0 - 7.4-11.2 HG13 ILE 56 - HG12 ILE 93 far 0 65 0 - 9.0-11.1 QG1 VAL 58 - HG12 ILE 93 far 0 77 0 - 9.0-10.2 QD1 ILE 15 - HG12 ILE 93 far 0 99 0 - 9.7-11.1 QG2 VAL 78 - HG12 ILE 93 far 0 79 0 - 9.8-11.3 QD2 LEU 42 - HG12 ILE 93 far 0 96 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 4150 from cnoeabs.peaks (2.04, 2.04, 30.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 93 + HG12 ILE 93 OK 100 100 - 100 Peak 4151 from cnoeabs.peaks (0.74, 2.04, 30.82 ppm; 3.04 A): 5 out of 17 assignments used, quality = 1.00: * HG13 ILE 93 + HG12 ILE 93 OK 100 100 100 100 1.8-1.8 1.8=100 QG2 ILE 93 + HG12 ILE 93 OK 97 100 100 97 2.2-3.2 3.2=87, 4.0/4146=22...(19) QD1 ILE 93 + HG12 ILE 93 OK 84 84 100 100 2.1-2.1 2.1=100 QG1 VAL 5 + HG12 ILE 93 OK 73 95 100 77 1.8-2.6 10198=30, 8195/9266=20...(15) QD1 LEU 27 + HG12 ILE 93 OK 32 85 80 47 3.4-5.8 10140/4.0=8, 10485=6...(15) QD2 LEU 27 - HG12 ILE 93 far 0 97 0 - 5.9-8.1 QD1 ILE 56 - HG12 ILE 93 far 0 65 0 - 6.5-9.3 QG1 VAL 54 - HG12 ILE 93 far 0 94 0 - 6.9-8.7 QD1 LEU 6 - HG12 ILE 93 far 0 82 0 - 7.0-9.1 QD2 LEU 14 - HG12 ILE 93 far 0 68 0 - 7.1-8.8 HG3 ARG 81 - HG12 ILE 93 far 0 100 0 - 7.4-11.2 QD1 ILE 8 - HG12 ILE 93 far 0 70 0 - 8.7-10.9 HG13 ILE 56 - HG12 ILE 93 far 0 79 0 - 9.0-11.1 QG1 VAL 58 - HG12 ILE 93 far 0 88 0 - 9.0-10.2 QD1 ILE 15 - HG12 ILE 93 far 0 96 0 - 9.7-11.1 QG2 VAL 78 - HG12 ILE 93 far 0 90 0 - 9.8-11.3 QD2 LEU 42 - HG12 ILE 93 far 0 88 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 4152 from cnoeabs.peaks (0.77, 2.04, 30.82 ppm; 3.13 A): 5 out of 11 assignments used, quality = 1.00: * QD1 ILE 93 + HG12 ILE 93 OK 100 100 100 100 2.1-2.1 2.1=100 QG2 ILE 93 + HG12 ILE 93 OK 92 93 100 99 2.2-3.2 3.2=94, 4.0/4146=24...(20) HG13 ILE 93 + HG12 ILE 93 OK 84 84 100 100 1.8-1.8 1.8=100 QD2 LEU 57 + HG12 ILE 93 OK 46 84 90 61 2.7-5.0 10217/9266=16...(19) QD1 LEU 27 + HG12 ILE 93 OK 44 100 80 55 3.4-5.8 10140/4.0=11, 10485=9...(17) QG1 VAL 54 - HG12 ILE 93 far 0 99 0 - 6.9-8.7 QD1 LEU 6 - HG12 ILE 93 far 0 100 0 - 7.0-9.1 QG2 ILE 7 - HG12 ILE 93 far 0 79 0 - 7.1-8.6 HG3 ARG 81 - HG12 ILE 93 far 0 77 0 - 7.4-11.2 QD1 ILE 15 - HG12 ILE 93 far 0 99 0 - 9.7-11.1 QD2 LEU 42 - HG12 ILE 93 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 4153 from cnoeabs.peaks (8.26, 2.04, 30.82 ppm; 6.50 A): 3 out of 4 assignments used, quality = 1.00: * H LYS 94 + HG12 ILE 93 OK 100 100 100 100 4.6-5.3 7507/3.0=100...(18) H GLU 23 + HG12 ILE 93 OK 79 98 90 89 6.2-8.1 4169/2.1=49, 4145/3.2=34...(9) H LEU 27 + HG12 ILE 93 OK 31 88 55 65 7.4-10.2 4.7/10485=33...(5) H LEU 103 - HG12 ILE 93 far 0 88 0 - 9.9-16.0 Violated in 0 structures by 0.00 A. Peak 4154 from cnoeabs.peaks (8.36, 0.74, 30.82 ppm; 4.90 A): 2 out of 3 assignments used, quality = 1.00: * H ILE 93 + HG13 ILE 93 OK 100 100 100 100 2.3-4.2 4.6=100 H GLU 95 + HG13 ILE 93 OK 46 100 50 93 6.1-7.0 7527/4.0=47, 4138/3.2=35...(13) H TYR 4 - HG13 ILE 93 far 0 100 0 - 8.1-9.8 Violated in 0 structures by 0.00 A. Peak 4155 from cnoeabs.peaks (3.54, 0.74, 30.82 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HG13 ILE 93 OK 100 100 100 100 2.2-2.8 4.0=100 Violated in 0 structures by 0.00 A. Peak 4156 from cnoeabs.peaks (1.80, 0.74, 30.82 ppm; 4.86 A): 4 out of 6 assignments used, quality = 1.00: * HB ILE 93 + HG13 ILE 93 OK 100 100 100 100 2.6-3.0 3.0=100 HB3 LEU 57 + HG13 ILE 93 OK 78 91 100 86 5.0-6.1 1.8/10022=25, ~10023=20...(19) HB3 LYS 90 + HG13 ILE 93 OK 60 75 80 99 5.6-6.9 ~10025=51, ~4129=41...(25) HB2 LYS 90 + HG13 ILE 93 OK 59 99 60 99 5.9-7.4 ~10025=51, ~4129=41...(26) HB2 GLU 104 - HG13 ILE 93 far 0 100 0 - 7.4-17.6 HB2 GLU 88 - HG13 ILE 93 far 0 100 0 - 7.9-10.3 Violated in 0 structures by 0.00 A. Peak 4157 from cnoeabs.peaks (0.75, 0.74, 30.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG13 ILE 93 + HG13 ILE 93 OK 100 100 - 100 Reference assignment not found: QG2 ILE 93 - HG13 ILE 93 Peak 4158 from cnoeabs.peaks (2.04, 0.74, 30.82 ppm; 3.69 A): 2 out of 5 assignments used, quality = 1.00: * HG12 ILE 93 + HG13 ILE 93 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 21 + HG13 ILE 93 OK 81 98 85 98 4.0-6.5 4166/2.1=40, 4134/3.0=24...(27) HB3 LYS 94 - HG13 ILE 93 far 0 96 0 - 6.4-8.2 HB3 GLU 17 - HG13 ILE 93 far 0 75 0 - 7.7-9.9 HB2 GLU 99 - HG13 ILE 93 far 0 100 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 4159 from cnoeabs.peaks (0.74, 0.74, 30.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 93 + HG13 ILE 93 OK 100 100 - 100 Peak 4160 from cnoeabs.peaks (0.77, 0.74, 30.82 ppm; diagonal): 1 out of 1 assignment used, quality = 0.84: HG13 ILE 93 + HG13 ILE 93 OK 84 84 - 100 Reference assignment not found: QD1 ILE 93 - HG13 ILE 93 Peak 4162 from cnoeabs.peaks (8.36, 0.77, 14.14 ppm; 4.17 A): 1 out of 3 assignments used, quality = 1.00: * H ILE 93 + QD1 ILE 93 OK 100 100 100 100 3.1-3.5 7493/3.2=69, 3.0/4163=65...(25) H GLU 95 - QD1 ILE 93 far 0 100 0 - 6.3-6.9 H TYR 4 - QD1 ILE 93 far 0 100 0 - 7.7-9.3 Violated in 0 structures by 0.00 A. Peak 4163 from cnoeabs.peaks (3.54, 0.77, 14.14 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + QD1 ILE 93 OK 100 100 100 100 3.7-3.8 4.2=88, 3.0/4162=56...(25) Violated in 0 structures by 0.00 A. Peak 4164 from cnoeabs.peaks (1.80, 0.77, 14.14 ppm; 3.42 A): 4 out of 7 assignments used, quality = 1.00: * HB ILE 93 + QD1 ILE 93 OK 100 100 100 100 2.1-2.3 3.2=100 HB2 LYS 90 + QD1 ILE 93 OK 90 99 100 91 3.4-4.7 3.0/10025=42, ~4129=16...(27) HB3 LYS 90 + QD1 ILE 93 OK 67 75 100 89 3.2-4.1 3.0/10025=42, ~4129=16...(25) HB3 LEU 57 + QD1 ILE 93 OK 53 91 85 69 4.1-5.1 2622=10, 3.0/2630=10...(19) HB2 GLU 88 - QD1 ILE 93 far 0 100 0 - 7.4-8.2 HB2 GLU 104 - QD1 ILE 93 far 0 100 0 - 7.6-16.6 HB2 LYS 53 - QD1 ILE 93 far 0 61 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 4165 from cnoeabs.peaks (0.75, 0.77, 14.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: QD1 ILE 93 + QD1 ILE 93 OK 93 93 - 100 Reference assignment not found: QG2 ILE 93 - QD1 ILE 93 Peak 4166 from cnoeabs.peaks (2.04, 0.77, 14.14 ppm; 3.03 A): 2 out of 9 assignments used, quality = 1.00: * HG12 ILE 93 + QD1 ILE 93 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 MET 21 + QD1 ILE 93 OK 94 98 100 96 2.0-3.9 4.3/10318=21...(30) HB3 GLU 17 - QD1 ILE 93 far 0 75 0 - 4.8-6.7 HB3 LYS 94 - QD1 ILE 93 far 0 96 0 - 5.8-7.3 HB2 GLU 16 - QD1 ILE 93 far 0 61 0 - 7.8-9.3 HG2 GLU 28 - QD1 ILE 93 far 0 84 0 - 8.7-11.0 HG3 GLU 28 - QD1 ILE 93 far 0 84 0 - 8.8-10.3 HB2 GLU 99 - QD1 ILE 93 far 0 100 0 - 9.8-12.3 HB2 GLU 98 - QD1 ILE 93 far 0 100 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 4167 from cnoeabs.peaks (0.74, 0.77, 14.14 ppm; diagonal): 1 out of 1 assignment used, quality = 0.84: QD1 ILE 93 + QD1 ILE 93 OK 84 84 - 100 Reference assignment not found: HG13 ILE 93 - QD1 ILE 93 Peak 4168 from cnoeabs.peaks (0.77, 0.77, 14.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 93 + QD1 ILE 93 OK 100 100 - 100 Peak 4169 from cnoeabs.peaks (8.26, 0.77, 14.14 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: * H LYS 94 + QD1 ILE 93 OK 100 100 100 100 4.2-4.6 7507/3.2=82, 3.6/4163=70...(26) H GLU 23 + QD1 ILE 93 OK 95 98 100 97 4.7-6.0 6354/11004=61...(15) H LEU 27 - QD1 ILE 93 far 0 88 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 4170 from cnoeabs.peaks (8.26, 3.87, 59.89 ppm; 3.74 A): 1 out of 4 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 27 - HA LYS 94 far 0 88 0 - 7.3-9.1 H GLU 23 - HA LYS 94 far 0 98 0 - 8.0-9.4 H LEU 103 - HA LYS 94 far 0 88 0 - 8.9-15.8 Violated in 0 structures by 0.00 A. Peak 4171 from cnoeabs.peaks (3.87, 3.87, 59.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 94 + HA LYS 94 OK 100 100 - 100 HA LYS 12 + HA LYS 12 OK 66 66 - 100 Peak 4172 from cnoeabs.peaks (1.92, 3.87, 59.89 ppm; 3.47 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LEU 14 - HA LYS 12 far 0 58 0 - 5.2-5.7 HB3 LYS 13 - HA LYS 12 far 0 67 0 - 5.9-6.1 HB2 LYS 13 - HA LYS 12 far 0 68 0 - 6.5-6.6 HB2 ARG 19 - HA LYS 12 far 0 46 0 - 7.3-9.7 HB2 GLU 17 - HA LYS 12 far 0 59 0 - 7.7-10.2 HB3 ARG 19 - HA LYS 12 far 0 68 0 - 8.0-9.6 Violated in 0 structures by 0.00 A. Peak 4173 from cnoeabs.peaks (2.02, 3.87, 59.89 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: * HB3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.5-2.9 3.0=100 HB2 MET 21 + HA LYS 94 OK 24 81 35 84 5.0-7.2 7509/3.0=26, ~8534=20...(24) HB2 GLU 98 - HA LYS 94 far 4 90 5 - 4.9-6.7 HB3 GLU 98 - HA LYS 94 far 0 91 0 - 6.0-7.7 HG12 ILE 93 - HA LYS 94 far 0 96 0 - 6.1-6.6 HB3 GLU 99 - HA LYS 94 far 0 96 0 - 7.3-9.8 HB2 GLU 99 - HA LYS 94 far 0 91 0 - 7.4-10.1 HB3 GLU 17 - HA LYS 12 far 0 62 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. Peak 4174 from cnoeabs.peaks (1.34, 3.87, 59.89 ppm; 3.75 A): 2 out of 6 assignments used, quality = 1.00: * HG2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.7-4.2 3.7=100 QB ALA 25 + HA LYS 94 OK 97 100 100 97 2.8-3.9 10334=58, 10073/4355=46...(17) HG LEU 14 - HA LYS 12 far 0 66 0 - 6.4-7.5 HB3 LEU 27 - HA LYS 94 far 0 100 0 - 7.4-9.2 QB ALA 89 - HA LYS 12 far 0 69 0 - 7.6-8.6 QB ALA 89 - HA LYS 94 far 0 100 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 4175 from cnoeabs.peaks (1.38, 3.87, 59.89 ppm; 3.61 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.0-3.6 3.7=90, 7516/3.0=46...(26) HG LEU 14 - HA LYS 12 far 0 45 0 - 6.4-7.5 HB3 LEU 27 - HA LYS 94 far 0 63 0 - 7.4-9.2 Violated in 0 structures by 0.00 A. Peak 4176 from cnoeabs.peaks (1.62, 3.87, 59.89 ppm; 3.96 A): 3 out of 8 assignments used, quality = 1.00: * HD2 LYS 94 + HA LYS 94 OK 100 100 100 100 2.0-4.7 3.0/4175=65, 4.7=58...(47) HD3 LYS 94 + HA LYS 94 OK 84 84 100 100 2.0-4.7 3.0/4175=65, 4.7=58...(47) HG3 LYS 12 + HA LYS 12 OK 46 46 100 100 3.3-4.2 3.7=100 HG LEU 27 - HA LYS 94 far 4 84 5 - 5.4-7.2 HG2 LYS 24 - HA LYS 94 far 0 61 0 - 6.3-9.0 HG2 ARG 19 - HA LYS 12 far 0 34 0 - 6.9-9.7 HB3 LEU 29 - HA LYS 94 far 0 81 0 - 8.8-11.0 HB2 LEU 103 - HA LYS 94 far 0 59 0 - 9.0-17.1 Violated in 0 structures by 0.00 A. Peak 4177 from cnoeabs.peaks (1.60, 3.87, 59.89 ppm; 3.95 A): 3 out of 10 assignments used, quality = 1.00: * HD3 LYS 94 + HA LYS 94 OK 100 100 100 100 2.0-4.7 3.0/4175=65, 4.7=58...(47) HD2 LYS 94 + HA LYS 94 OK 84 84 100 100 2.0-4.7 3.0/4175=65, 4.7=58...(47) HG3 LYS 12 + HA LYS 12 OK 69 69 100 100 3.3-4.2 3.7=100 HG LEU 27 - HA LYS 94 far 5 100 5 - 5.4-7.2 HG2 LYS 24 - HA LYS 94 far 0 98 0 - 6.3-9.0 HG2 ARG 19 - HA LYS 12 far 0 64 0 - 6.9-9.7 HG3 LYS 90 - HA LYS 94 far 0 97 0 - 7.8-10.5 HB3 LEU 29 - HA LYS 94 far 0 100 0 - 8.8-11.0 HB2 LEU 103 - HA LYS 94 far 0 98 0 - 9.0-17.1 HG LEU 103 - HA LYS 94 far 0 96 0 - 9.1-17.7 Violated in 0 structures by 0.00 A. Peak 4178 from cnoeabs.peaks (2.92, 3.87, 59.89 ppm; 6.50 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 94 + HA LYS 94 OK 100 100 100 100 4.1-6.5 6.0=100 HE3 LYS 94 + HA LYS 94 OK 99 99 100 100 4.3-6.4 6.0=100 HG2 MET 21 + HA LYS 94 OK 92 92 100 100 5.0-6.6 8534/3.0=85...(20) HB2 ASN 10 + HA LYS 12 OK 62 67 100 92 6.8-7.8 8357/8446=80...(3) HE3 LYS 13 - HA LYS 12 far 0 35 0 - 8.1-8.4 HE3 LYS 20 - HA LYS 12 far 0 68 0 - 8.4-12.5 HE3 LYS 90 - HA LYS 94 far 0 96 0 - 9.4-12.2 HE3 LYS 90 - HA LYS 12 far 0 62 0 - 9.6-14.4 HE2 LYS 20 - HA LYS 12 far 0 67 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 4179 from cnoeabs.peaks (2.91, 3.87, 59.89 ppm; 6.50 A): 4 out of 8 assignments used, quality = 1.00: * HE3 LYS 94 + HA LYS 94 OK 100 100 100 100 4.3-6.4 6.0=100 HE2 LYS 94 + HA LYS 94 OK 99 99 100 100 4.1-6.5 6.0=100 HG2 MET 21 + HA LYS 94 OK 79 79 100 100 5.0-6.6 8534/3.0=69...(20) HB2 ASN 10 + HA LYS 12 OK 54 61 100 89 6.8-7.8 8357/8446=75...(3) HE3 LYS 20 - HA LYS 12 far 0 69 0 - 8.4-12.5 HE3 LYS 90 - HA LYS 94 far 0 85 0 - 9.4-12.2 HE3 LYS 90 - HA LYS 12 far 0 52 0 - 9.6-14.4 HE2 LYS 20 - HA LYS 12 far 0 69 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 4180 from cnoeabs.peaks (8.36, 3.87, 59.89 ppm; 4.56 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 95 + HA LYS 94 OK 100 100 100 100 3.5-3.6 3.6=100 H ILE 93 + HA LYS 94 OK 99 100 100 99 5.1-5.4 7498/3.0=79...(17) H TYR 4 - HA LYS 94 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 4181 from cnoeabs.peaks (8.22, 3.87, 59.89 ppm; 4.23 A): 2 out of 4 assignments used, quality = 1.00: * H SER 97 + HA LYS 94 OK 100 100 100 100 3.1-3.7 7566=90, 4.1/4355=54...(14) H PHE 96 + HA LYS 94 OK 99 100 100 99 3.7-4.3 7522/3.0=80...(13) H LEU 27 - HA LYS 94 far 0 85 0 - 7.3-9.1 H GLU 104 - HA LYS 94 far 0 100 0 - 8.6-16.8 Violated in 0 structures by 0.00 A. Peak 4182 from cnoeabs.peaks (3.95, 3.87, 59.89 ppm; 3.64 A): 2 out of 4 assignments used, quality = 1.00: * HB2 SER 97 + HA LYS 94 OK 99 100 100 99 2.6-4.1 4349=88, 1.8/4355=69...(10) HB3 SER 97 + HA LYS 94 OK 64 68 100 94 2.6-3.9 1.8/4349=65, 4355=52...(9) HB3 SER 9 - HA LYS 12 far 0 54 0 - 5.6-8.1 HD3 PRO 86 - HA LYS 12 far 0 50 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 4183 from cnoeabs.peaks (3.98, 3.87, 59.89 ppm; 4.05 A): 3 out of 4 assignments used, quality = 1.00: * HB3 SER 97 + HA LYS 94 OK 100 100 100 100 2.6-3.9 4355=100, 1.8/4349=76...(12) HB2 SER 97 + HA LYS 94 OK 66 68 100 98 2.6-4.1 1.8/4355=82, 4349=51...(8) HA GLU 95 + HA LYS 94 OK 58 59 100 98 4.7-4.8 11014=49, ~7528=30...(16) HD3 PRO 86 - HA LYS 12 far 0 67 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 4184 from cnoeabs.peaks (3.89, 1.92, 32.23 ppm; 3.80 A): 2 out of 15 assignments used, quality = 0.98: HA LYS 94 + HB2 LYS 94 OK 90 90 100 100 2.3-3.0 3.0=100 * HA ARG 91 + HB2 LYS 94 OK 79 100 100 79 2.8-5.2 7502/7513=30...(14) HA2 GLY 100 - HB2 MET 1 poor 10 35 30 - 4.1-7.7 HA3 GLY 101 - HB2 MET 1 far 2 44 5 - 4.8-10.8 HA2 GLY 101 - HB2 MET 1 far 2 35 5 - 5.0-11.0 HB3 SER 49 - HB3 LYS 47 far 0 65 0 - 6.5-8.4 HA GLU 43 - HB3 LYS 47 far 0 93 0 - 6.5-8.1 HB2 SER 102 - HB2 MET 1 far 0 44 0 - 7.4-14.4 HB3 SER 49 - HB2 MET 1 far 0 27 0 - 7.6-14.4 HA ALA 89 - HB2 LYS 94 far 0 98 0 - 8.1-10.0 HB2 SER 102 - HB2 LYS 94 far 0 100 0 - 9.1-18.0 HA ARG 91 - HB3 LYS 20 far 0 96 0 - 9.6-12.0 HA LYS 40 - HB3 LYS 47 far 0 78 0 - 9.6-11.4 HA TYR 41 - HB3 LYS 47 far 0 51 0 - 9.7-11.1 HA2 GLY 101 - HB2 LYS 94 far 0 90 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 4185 from cnoeabs.peaks (8.26, 1.92, 32.23 ppm; 3.58 A): 1 out of 9 assignments used, quality = 1.00: * H LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.1-3.3 7513=100, 7514/1.8=56...(22) H GLU 23 - HB3 LYS 20 far 5 92 5 - 5.1-5.6 H PHE 45 - HB3 LYS 47 far 0 93 0 - 5.2-6.9 H GLU 23 - HB2 LYS 94 far 0 98 0 - 8.2-11.9 H LEU 27 - HB2 LYS 94 far 0 88 0 - 8.6-12.0 H LEU 103 - HB2 LYS 94 far 0 88 0 - 9.0-17.5 H LEU 103 - HB2 MET 1 far 0 34 0 - 9.0-15.5 H LEU 27 - HB3 LYS 20 far 0 81 0 - 9.2-9.6 H LYS 94 - HB3 LYS 20 far 0 96 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 4186 from cnoeabs.peaks (3.87, 1.92, 32.23 ppm; 3.50 A): 2 out of 16 assignments used, quality = 1.00: * HA LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HA ARG 91 + HB2 LYS 94 OK 59 90 90 73 2.8-5.2 7512/7513=24...(13) HA2 GLY 100 - HB2 MET 1 poor 9 44 20 - 4.1-7.7 HA2 GLY 101 - HB2 MET 1 far 2 44 5 - 5.0-11.0 HA3 GLY 101 - HB2 MET 1 far 2 31 5 - 4.8-10.8 HA ALA 22 - HB2 LYS 94 far 0 59 0 - 5.8-9.5 HB3 SER 49 - HB3 LYS 47 far 0 91 0 - 6.5-8.4 HA GLU 43 - HB3 LYS 47 far 0 85 0 - 6.5-8.1 HB2 SER 102 - HB2 MET 1 far 0 30 0 - 7.4-14.4 HA ALA 22 - HB3 LYS 20 far 0 53 0 - 7.5-8.1 HB3 SER 49 - HB2 MET 1 far 0 43 0 - 7.6-14.4 HA ALA 89 - HB2 LYS 94 far 0 68 0 - 8.1-10.0 HB2 SER 102 - HB2 LYS 94 far 0 81 0 - 9.1-18.0 HA ARG 91 - HB3 LYS 20 far 0 82 0 - 9.6-12.0 HA LYS 40 - HB3 LYS 47 far 0 93 0 - 9.6-11.4 HA2 GLY 101 - HB2 LYS 94 far 0 100 0 - 9.9-15.2 Violated in 0 structures by 0.00 A. Peak 4187 from cnoeabs.peaks (1.92, 1.92, 32.23 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 HB3 LYS 47 + HB3 LYS 47 OK 93 93 - 100 HB3 LYS 20 + HB3 LYS 20 OK 92 92 - 100 HB2 MET 1 + HB2 MET 1 OK 37 37 - 100 Peak 4188 from cnoeabs.peaks (2.02, 1.92, 32.23 ppm; 2.42 A): 2 out of 23 assignments used, quality = 1.00: * HB3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 MET 1 + HB2 MET 1 OK 36 36 100 100 1.8-1.8 1.8=100 HB3 GLU 48 - HB3 LYS 47 far 0 75 0 - 4.1-6.0 HB2 MET 21 - HB2 LYS 94 far 0 81 0 - 4.6-8.7 HB2 MET 21 - HB3 LYS 20 far 0 73 0 - 4.9-7.0 HB3 GLU 44 - HB3 LYS 47 far 0 79 0 - 5.3-7.5 HB2 GLU 98 - HB2 LYS 94 far 0 90 0 - 5.5-7.4 HB3 GLU 17 - HB3 LYS 20 far 0 89 0 - 5.7-7.7 HB2 GLU 44 - HB3 LYS 47 far 0 79 0 - 5.8-7.7 HB3 GLU 98 - HB2 LYS 94 far 0 91 0 - 6.7-8.6 HG12 ILE 93 - HB2 LYS 94 far 0 96 0 - 7.0-8.4 HB2 GLN 50 - HB2 MET 1 far 0 44 0 - 7.0-10.7 HB2 GLN 50 - HB3 LYS 47 far 0 93 0 - 7.9-11.3 HB2 GLU 99 - HB2 LYS 94 far 0 91 0 - 8.0-11.3 HB3 GLU 99 - HB2 LYS 94 far 0 96 0 - 8.1-11.2 HB3 GLU 99 - HB2 MET 1 far 0 40 0 - 8.8-12.9 HG12 ILE 93 - HB3 LYS 20 far 0 90 0 - 8.8-11.1 QE MET 74 - HB3 LYS 47 far 0 81 0 - 8.8-10.8 HB3 GLU 98 - HB2 MET 1 far 0 36 0 - 8.9-13.4 HB2 GLU 99 - HB2 MET 1 far 0 36 0 - 8.9-12.4 HB3 GLU 17 - HB2 LYS 94 far 0 96 0 - 9.5-12.4 HB2 GLU 98 - HB2 MET 1 far 0 35 0 - 9.5-13.7 HB3 GLU 48 - HB2 MET 1 far 0 33 0 - 9.9-13.7 Violated in 0 structures by 0.00 A. Peak 4189 from cnoeabs.peaks (1.34, 1.92, 32.23 ppm; 3.64 A): 2 out of 13 assignments used, quality = 1.00: * HG2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.2-2.9 2.9=100 QB ALA 25 + HB2 LYS 94 OK 46 100 70 66 3.7-6.3 10334/3.0=33...(7) HB3 LEU 2 - HB2 MET 1 far 0 44 0 - 6.3-7.4 QB ALA 25 - HB3 LYS 20 far 0 96 0 - 7.3-8.1 QB ALA 89 - HB2 LYS 94 far 0 100 0 - 7.8-9.6 QB ALA 89 - HB3 LYS 20 far 0 96 0 - 8.4-9.8 QB ALA 25 - HB2 MET 1 far 0 44 0 - 8.9-12.2 HB3 LEU 2 - HB3 LYS 47 far 0 92 0 - 8.9-13.4 HB3 LEU 27 - HB2 LYS 94 far 0 100 0 - 9.1-11.9 HB3 LEU 27 - HB2 MET 1 far 0 44 0 - 9.1-12.6 HB3 LEU 42 - HB3 LYS 47 far 0 56 0 - 9.5-11.4 HG3 LYS 40 - HB3 LYS 47 far 0 82 0 - 9.9-13.0 HG LEU 14 - HB3 LYS 20 far 0 92 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4190 from cnoeabs.peaks (1.38, 1.92, 32.23 ppm; 3.60 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 2.5-2.9 2.9=100 HB3 LEU 27 - HB2 LYS 94 far 0 63 0 - 9.1-11.9 HB3 LEU 27 - HB2 MET 1 far 0 22 0 - 9.1-12.6 HG3 LYS 94 - HB3 LYS 20 far 0 96 0 - 9.7-12.1 HG3 LYS 40 - HB3 LYS 47 far 0 79 0 - 9.9-13.0 HG LEU 14 - HB3 LYS 20 far 0 68 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4191 from cnoeabs.peaks (1.62, 1.92, 32.23 ppm; 3.13 A): 3 out of 16 assignments used, quality = 1.00: * HD2 LYS 94 + HB2 LYS 94 OK 98 100 100 98 2.0-3.9 3.5=73, 4235/2.9=17...(41) HG3 LYS 47 + HB3 LYS 47 OK 93 93 100 100 2.3-3.0 3.0=100 HD3 LYS 94 + HB2 LYS 94 OK 82 84 100 98 2.0-3.8 3.5=73, ~4175=14...(41) HG2 ARG 19 - HB3 LYS 20 far 0 53 0 - 4.7-8.3 HG2 LYS 24 - HB2 LYS 94 far 0 61 0 - 5.3-10.8 HG2 LYS 24 - HB3 LYS 20 far 0 55 0 - 5.5-7.8 HG LEU 27 - HB2 LYS 94 far 0 84 0 - 7.0-10.1 HB3 LEU 29 - HB3 LYS 20 far 0 73 0 - 7.9-9.5 HD2 LYS 94 - HB3 LYS 20 far 0 96 0 - 8.6-10.6 HD3 LYS 94 - HB3 LYS 20 far 0 76 0 - 8.9-10.8 HB2 LEU 103 - HB2 LYS 94 far 0 59 0 - 8.9-18.9 HG LEU 27 - HB2 MET 1 far 0 32 0 - 9.3-12.6 HB2 LEU 103 - HB2 MET 1 far 0 20 0 - 9.4-17.5 HB3 LEU 29 - HB2 LYS 94 far 0 81 0 - 9.6-13.4 HG LEU 27 - HB3 LYS 20 far 0 76 0 - 9.7-11.1 HB ILE 76 - HB3 LYS 47 far 0 82 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 4192 from cnoeabs.peaks (1.60, 1.92, 32.23 ppm; 3.29 A): 3 out of 18 assignments used, quality = 1.00: * HD3 LYS 94 + HB2 LYS 94 OK 99 100 100 99 2.0-3.8 3.5=85, 7518/7513=18...(43) HD2 LYS 94 + HB2 LYS 94 OK 83 84 100 99 2.0-3.9 3.5=85, ~4175=16...(43) HG3 LYS 47 + HB3 LYS 47 OK 76 76 100 100 2.3-3.0 3.0=100 HG2 ARG 19 - HB3 LYS 20 far 9 91 10 - 4.7-8.3 HG2 LYS 24 - HB2 LYS 94 far 0 98 0 - 5.3-10.8 HG2 LYS 24 - HB3 LYS 20 far 0 92 0 - 5.5-7.8 HG3 LYS 90 - HB3 LYS 20 far 0 90 0 - 5.6-9.7 HG3 LYS 90 - HB2 LYS 94 far 0 97 0 - 6.6-9.7 HG LEU 27 - HB2 LYS 94 far 0 100 0 - 7.0-10.1 HB3 LEU 29 - HB3 LYS 20 far 0 96 0 - 7.9-9.5 HD2 LYS 94 - HB3 LYS 20 far 0 76 0 - 8.6-10.6 HD3 LYS 94 - HB3 LYS 20 far 0 96 0 - 8.9-10.8 HB2 LEU 103 - HB2 LYS 94 far 0 98 0 - 8.9-18.9 HG LEU 103 - HB2 LYS 94 far 0 96 0 - 9.1-19.6 HG LEU 27 - HB2 MET 1 far 0 44 0 - 9.3-12.6 HB2 LEU 103 - HB2 MET 1 far 0 41 0 - 9.4-17.5 HB3 LEU 29 - HB2 LYS 94 far 0 100 0 - 9.6-13.4 HG LEU 27 - HB3 LYS 20 far 0 96 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 4193 from cnoeabs.peaks (2.92, 1.92, 32.23 ppm; 4.21 A): 6 out of 11 assignments used, quality = 1.00: * HE2 LYS 94 + HB2 LYS 94 OK 100 100 100 100 3.7-5.4 4.8=68, 4206/1.8=33...(46) HE3 LYS 94 + HB2 LYS 94 OK 99 99 100 100 3.7-5.3 4.8=68, 4206/1.8=33...(46) HE3 LYS 20 + HB3 LYS 20 OK 94 94 100 100 2.2-4.9 4.7=71, 6314/871=22...(100) HE2 LYS 20 + HB3 LYS 20 OK 94 94 100 100 2.4-3.7 4.7=71, 6314/871=22...(100) HG2 MET 21 + HB2 LYS 94 OK 64 92 75 93 4.7-7.9 8534/7513=45, ~995=18...(23) HB2 ASN 51 + HB2 MET 1 OK 31 32 100 98 3.0-5.3 8005/3.0=59, ~8006=37...(16) HG2 MET 21 - HB3 LYS 20 far 0 84 0 - 5.8-7.4 HE3 LYS 90 - HB3 LYS 20 far 0 89 0 - 7.0-10.5 HE3 LYS 90 - HB2 LYS 94 far 0 96 0 - 7.4-11.8 HE3 LYS 94 - HB3 LYS 20 far 0 94 0 - 8.0-12.5 HE2 LYS 94 - HB3 LYS 20 far 0 96 0 - 8.1-12.6 Violated in 0 structures by 0.00 A. Peak 4194 from cnoeabs.peaks (2.91, 1.92, 32.23 ppm; 4.21 A): 6 out of 11 assignments used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 100 100 100 100 3.7-5.3 4.8=68, 4206/1.8=34...(46) HE2 LYS 94 + HB2 LYS 94 OK 99 99 100 100 3.7-5.4 4.8=68, 4206/1.8=34...(46) HE2 LYS 20 + HB3 LYS 20 OK 96 96 100 100 2.4-3.7 4.7=71, 6313/871=22...(100) HE3 LYS 20 + HB3 LYS 20 OK 95 96 100 100 2.2-4.9 4.7=71, 6313/871=22...(100) HG2 MET 21 + HB2 LYS 94 OK 54 79 75 92 4.7-7.9 8534/7513=37, ~995=18...(23) HB2 ASN 51 + HB2 MET 1 OK 23 24 100 98 3.0-5.3 8005/3.0=53, ~8006=37...(16) HG2 MET 21 - HB3 LYS 20 far 0 71 0 - 5.8-7.4 HE3 LYS 90 - HB3 LYS 20 far 0 78 0 - 7.0-10.5 HE3 LYS 90 - HB2 LYS 94 far 0 85 0 - 7.4-11.8 HE3 LYS 94 - HB3 LYS 20 far 0 96 0 - 8.0-12.5 HE2 LYS 94 - HB3 LYS 20 far 0 94 0 - 8.1-12.6 Violated in 0 structures by 0.00 A. Peak 4195 from cnoeabs.peaks (8.36, 1.92, 32.23 ppm; 4.07 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 95 + HB2 LYS 94 OK 100 100 100 100 2.2-4.1 7530=100, 7531/1.8=91...(14) H ILE 93 + HB2 LYS 94 OK 76 100 85 90 4.3-5.7 7498/7513=64...(11) H TYR 4 - HB2 MET 1 far 0 44 0 - 8.4-10.0 H ILE 93 - HB3 LYS 20 far 0 95 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 4196 from cnoeabs.peaks (3.89, 2.02, 32.23 ppm; 3.86 A): 2 out of 13 assignments used, quality = 0.94: HA LYS 94 + HB3 LYS 94 OK 90 90 100 100 2.5-2.9 3.0=100 * HA ARG 91 + HB3 LYS 94 OK 42 100 50 83 2.8-5.7 4184/1.8=36, 7502/4.0=24...(16) HA LYS 94 - HB2 MET 21 poor 20 42 55 85 5.0-7.2 3.0/7509=27, ~8534=22...(23) HA3 GLY 101 - HB3 MET 1 far 2 42 5 - 5.0-11.1 HA ARG 91 - HB2 MET 21 far 0 53 0 - 5.4-7.2 HA2 GLY 100 - HB3 MET 1 far 0 34 0 - 5.4-8.2 HA2 GLY 101 - HB3 MET 1 far 0 34 0 - 5.5-10.1 HB3 SER 49 - HB3 MET 1 far 0 26 0 - 6.2-13.8 HA ALA 89 - HB2 MET 21 far 0 49 0 - 7.0-8.2 HB2 SER 102 - HB3 MET 1 far 0 42 0 - 7.4-14.5 HA ALA 89 - HB3 LYS 94 far 0 98 0 - 8.1-10.8 HB2 SER 102 - HB3 LYS 94 far 0 100 0 - 9.2-16.9 HA2 GLY 100 - HB3 LYS 94 far 0 90 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 4197 from cnoeabs.peaks (8.26, 2.02, 32.23 ppm; 3.57 A): 2 out of 8 assignments used, quality = 1.00: * H LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.1-3.6 7513/1.8=84, 4.0=69...(25) H LYS 94 + HB2 MET 21 OK 40 53 80 94 3.8-6.4 7509=38, 8534/3.0=36...(21) H GLU 23 - HB2 MET 21 poor 17 49 35 - 4.7-6.1 H LEU 27 - HB2 MET 21 far 0 41 0 - 7.2-8.7 H LEU 103 - HB3 MET 1 far 0 33 0 - 9.2-15.6 H LEU 27 - HB3 LYS 94 far 0 88 0 - 9.5-11.2 H LEU 103 - HB3 LYS 94 far 0 88 0 - 9.6-16.6 H GLU 23 - HB3 LYS 94 far 0 98 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 4198 from cnoeabs.peaks (3.87, 2.02, 32.23 ppm; 3.61 A): 2 out of 15 assignments used, quality = 1.00: * HA LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.5-2.9 3.0=100 HA ARG 91 + HB3 LYS 94 OK 25 90 35 79 2.8-5.7 4186/1.8=28, 7512/4.0=20...(16) HA ALA 22 - HB2 MET 21 poor 18 25 90 83 3.8-5.5 3.0/6347=30, ~6349=18...(20) HA LYS 94 - HB2 MET 21 poor 11 53 20 - 5.0-7.2 HA3 GLY 101 - HB3 MET 1 far 1 30 5 - 5.0-11.1 HA ARG 91 - HB2 MET 21 far 0 42 0 - 5.4-7.2 HA2 GLY 100 - HB3 MET 1 far 0 43 0 - 5.4-8.2 HA2 GLY 101 - HB3 MET 1 far 0 43 0 - 5.5-10.1 HB3 SER 49 - HB3 MET 1 far 0 41 0 - 6.2-13.8 HA ALA 89 - HB2 MET 21 far 0 29 0 - 7.0-8.2 HA ALA 22 - HB3 LYS 94 far 0 59 0 - 7.0-8.4 HB2 SER 102 - HB3 MET 1 far 0 29 0 - 7.4-14.5 HA ALA 89 - HB3 LYS 94 far 0 68 0 - 8.1-10.8 HB2 SER 102 - HB3 LYS 94 far 0 81 0 - 9.2-16.9 HA2 GLY 100 - HB3 LYS 94 far 0 100 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 4199 from cnoeabs.peaks (1.92, 2.02, 32.23 ppm; 2.54 A): 2 out of 9 assignments used, quality = 1.00: * HB2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 MET 1 + HB3 MET 1 OK 36 36 100 100 1.8-1.8 1.8=100 HB2 LYS 94 - HB2 MET 21 far 0 53 0 - 4.6-8.7 HB3 LYS 20 - HB2 MET 21 far 0 49 0 - 4.9-7.0 HB2 LYS 20 - HB2 MET 21 far 0 31 0 - 5.8-7.5 HB2 GLU 17 - HB2 MET 21 far 0 44 0 - 5.9-7.7 HB2 ARG 19 - HB2 MET 21 far 0 34 0 - 6.7-8.3 HB3 ARG 19 - HB2 MET 21 far 0 51 0 - 7.1-8.5 HB2 GLU 17 - HB3 LYS 94 far 0 93 0 - 9.0-13.5 Violated in 0 structures by 0.00 A. Peak 4200 from cnoeabs.peaks (2.02, 2.02, 32.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 HB2 MET 21 + HB2 MET 21 OK 36 36 - 100 HB3 MET 1 + HB3 MET 1 OK 35 35 - 100 Peak 4201 from cnoeabs.peaks (1.34, 2.02, 32.23 ppm; 3.69 A): 3 out of 12 assignments used, quality = 1.00: * HG2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.2-3.0 2.9=100 QB ALA 25 + HB3 LYS 94 OK 53 100 75 70 4.2-5.8 10334/3.0=34...(8) QB ALA 25 + HB2 MET 21 OK 39 53 85 87 4.0-5.5 8624/4.3=36, 8570/4.6=26...(17) QB ALA 89 - HB2 MET 21 far 3 53 5 - 5.1-6.6 HB3 LEU 2 - HB3 MET 1 far 0 42 0 - 5.8-7.6 HG2 LYS 94 - HB2 MET 21 far 0 53 0 - 6.5-9.0 HG LEU 14 - HB2 MET 21 far 0 50 0 - 7.6-9.2 QB ALA 89 - HB3 LYS 94 far 0 100 0 - 7.6-10.1 HB3 LEU 27 - HB2 MET 21 far 0 52 0 - 7.7-10.1 QB ALA 25 - HB3 MET 1 far 0 43 0 - 9.7-12.5 HB3 LEU 27 - HB3 MET 1 far 0 42 0 - 9.7-12.8 HB3 LEU 27 - HB3 LYS 94 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4202 from cnoeabs.peaks (1.38, 2.02, 32.23 ppm; 3.83 A): 1 out of 6 assignments used, quality = 1.00: * HG3 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.3-2.9 2.9=100 HG3 LYS 94 - HB2 MET 21 far 5 53 10 - 5.2-8.3 HG LEU 14 - HB2 MET 21 far 0 33 0 - 7.6-9.2 HB3 LEU 27 - HB2 MET 21 far 0 27 0 - 7.7-10.1 HB3 LEU 27 - HB3 MET 1 far 0 21 0 - 9.7-12.8 HB3 LEU 27 - HB3 LYS 94 far 0 63 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 4203 from cnoeabs.peaks (1.62, 2.02, 32.23 ppm; 3.65 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.3-3.9 3.5=100 HD3 LYS 94 + HB3 LYS 94 OK 84 84 100 100 2.4-4.0 3.5=100 HD2 LYS 94 + HB2 MET 21 OK 28 53 75 71 4.1-7.6 12250/4.3=18...(26) HD3 LYS 94 - HB2 MET 21 poor 17 38 65 67 4.2-6.6 12251/4.3=16, 4244=12...(24) HG2 LYS 24 - HB2 MET 21 far 0 26 0 - 5.4-8.3 HB3 LEU 29 - HB2 MET 21 far 0 36 0 - 5.5-7.9 HG LEU 27 - HB2 MET 21 far 0 38 0 - 6.1-8.2 HG2 ARG 19 - HB2 MET 21 far 0 25 0 - 6.3-8.8 HG2 LYS 24 - HB3 LYS 94 far 0 61 0 - 6.4-10.5 HG LEU 27 - HB3 LYS 94 far 0 84 0 - 7.9-9.6 HB2 LEU 103 - HB3 LYS 94 far 0 59 0 - 8.7-18.1 HG LEU 27 - HB3 MET 1 far 0 31 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 4204 from cnoeabs.peaks (1.60, 2.02, 32.23 ppm; 3.67 A): 4 out of 16 assignments used, quality = 1.00: * HD3 LYS 94 + HB3 LYS 94 OK 100 100 100 100 2.4-4.0 3.5=100 HD2 LYS 94 + HB3 LYS 94 OK 84 84 100 100 2.3-3.9 3.5=100 HD3 LYS 94 + HB2 MET 21 OK 25 53 65 73 4.2-6.6 12251/4.3=20, 4244=15...(24) HG3 LYS 90 + HB2 MET 21 OK 23 48 60 81 3.2-6.7 1.8/10310=19...(25) HD2 LYS 94 - HB2 MET 21 poor 20 38 75 69 4.1-7.6 12250/4.3=16...(24) HG2 LYS 24 - HB2 MET 21 far 0 49 0 - 5.4-8.3 HB3 LEU 29 - HB2 MET 21 far 0 53 0 - 5.5-7.9 HG3 LYS 90 - HB3 LYS 94 far 0 97 0 - 6.1-10.7 HG LEU 27 - HB2 MET 21 far 0 53 0 - 6.1-8.2 HG2 ARG 19 - HB2 MET 21 far 0 49 0 - 6.3-8.8 HG2 LYS 24 - HB3 LYS 94 far 0 98 0 - 6.4-10.5 HG LEU 27 - HB3 LYS 94 far 0 100 0 - 7.9-9.6 HB2 LEU 103 - HB3 LYS 94 far 0 98 0 - 8.7-18.1 HG LEU 103 - HB3 LYS 94 far 0 96 0 - 9.5-19.0 HG LEU 27 - HB3 MET 1 far 0 43 0 - 9.9-12.7 HB2 LEU 103 - HB3 MET 1 far 0 39 0 - 10.0-17.5 Violated in 0 structures by 0.00 A. Peak 4205 from cnoeabs.peaks (2.92, 2.02, 32.23 ppm; 3.77 A): 4 out of 11 assignments used, quality = 1.00: * HE2 LYS 94 + HB3 LYS 94 OK 99 100 100 99 3.8-5.0 4.8=49, 4257/2.9=18...(56) HE3 LYS 94 + HB3 LYS 94 OK 98 99 100 99 3.7-5.1 4.8=49, 4257/2.9=18...(57) HG2 MET 21 + HB2 MET 21 OK 44 44 100 100 2.3-3.0 3.0=100 HB2 ASN 51 + HB3 MET 1 OK 29 31 100 96 1.9-4.7 8005/3.0=47, ~8006=29...(20) HG2 MET 21 - HB3 LYS 94 far 14 92 15 - 5.1-7.2 HE2 LYS 94 - HB2 MET 21 far 3 53 5 - 5.2-7.6 HE3 LYS 94 - HB2 MET 21 far 0 51 0 - 5.5-7.6 HE2 LYS 20 - HB2 MET 21 far 0 51 0 - 5.8-8.9 HE3 LYS 90 - HB2 MET 21 far 0 47 0 - 5.8-8.4 HE3 LYS 20 - HB2 MET 21 far 0 51 0 - 6.8-8.9 HE3 LYS 90 - HB3 LYS 94 far 0 96 0 - 7.9-12.4 Violated in 0 structures by 0.00 A. Peak 4206 from cnoeabs.peaks (2.91, 2.02, 32.23 ppm; 3.77 A): 4 out of 11 assignments used, quality = 1.00: * HE3 LYS 94 + HB3 LYS 94 OK 99 100 100 99 3.7-5.1 4.8=49, 4257/2.9=17...(57) HE2 LYS 94 + HB3 LYS 94 OK 98 99 100 99 3.8-5.0 4.8=49, 4257/2.9=18...(56) HG2 MET 21 + HB2 MET 21 OK 35 35 100 100 2.3-3.0 3.0=100 HB2 ASN 51 + HB3 MET 1 OK 22 23 100 94 1.9-4.7 8005/3.0=42, ~8006=29...(20) HG2 MET 21 - HB3 LYS 94 far 12 79 15 - 5.1-7.2 HE2 LYS 94 - HB2 MET 21 far 3 51 5 - 5.2-7.6 HE3 LYS 94 - HB2 MET 21 far 0 53 0 - 5.5-7.6 HE2 LYS 20 - HB2 MET 21 far 0 53 0 - 5.8-8.9 HE3 LYS 90 - HB2 MET 21 far 0 39 0 - 5.8-8.4 HE3 LYS 20 - HB2 MET 21 far 0 53 0 - 6.8-8.9 HE3 LYS 90 - HB3 LYS 94 far 0 85 0 - 7.9-12.4 Violated in 0 structures by 0.00 A. Peak 4207 from cnoeabs.peaks (8.36, 2.02, 32.23 ppm; 3.92 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 95 + HB3 LYS 94 OK 100 100 100 100 2.5-3.6 7531=100, 7530/1.8=79...(17) H ILE 93 + HB2 MET 21 OK 37 52 80 89 4.5-6.0 7495=31, 4162/4166=25...(14) H ILE 93 + HB3 LYS 94 OK 23 100 25 91 4.4-6.3 7498/4.0=48, 4195/1.8=31...(15) H GLU 95 - HB2 MET 21 far 0 53 0 - 6.6-9.3 H TYR 4 - HB3 MET 1 far 0 43 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 4208 from cnoeabs.peaks (8.26, 1.34, 24.57 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: * H LYS 94 + HG2 LYS 94 OK 100 100 100 100 3.3-4.6 4.9=96, 7513/2.9=94...(28) H PHE 45 - HG3 LYS 40 far 0 80 0 - 6.9-9.3 H LEU 103 - HG2 LYS 94 far 0 88 0 - 9.6-17.1 Violated in 0 structures by 0.00 A. Peak 4209 from cnoeabs.peaks (3.87, 1.34, 24.57 ppm; 3.72 A): 3 out of 7 assignments used, quality = 1.00: * HA LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.7-4.2 3.7=99, 4175/1.8=77...(29) HA LYS 40 + HG3 LYS 40 OK 81 81 100 100 2.2-3.5 3.8=95, ~6631=31...(30) HA ARG 91 + HG2 LYS 94 OK 55 90 75 82 3.0-6.3 4186/2.9=23...(20) HA GLU 43 - HG3 LYS 40 far 0 72 0 - 6.5-8.2 HA LEU 38 - HG3 LYS 40 far 0 79 0 - 7.2-8.0 HA ALA 22 - HG2 LYS 94 far 0 59 0 - 8.1-9.4 HA ALA 89 - HG2 LYS 94 far 0 68 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 4210 from cnoeabs.peaks (1.92, 1.34, 24.57 ppm; 4.08 A): 2 out of 5 assignments used, quality = 1.00: * HB2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-2.9 2.9=100 HB2 GLU 43 + HG3 LYS 40 OK 23 73 45 70 4.9-6.8 1780/3.8=29...(11) HG LEU 42 - HG3 LYS 40 far 0 61 0 - 6.9-8.5 HB3 ARG 46 - HG3 LYS 40 far 0 44 0 - 8.9-12.1 HB3 LYS 47 - HG3 LYS 40 far 0 81 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 4211 from cnoeabs.peaks (2.02, 1.34, 24.57 ppm; 3.99 A): 1 out of 10 assignments used, quality = 1.00: * HB3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.2-3.0 2.9=100 HB2 GLU 44 - HG3 LYS 40 far 7 67 10 - 4.3-7.7 HB2 GLU 98 - HG2 LYS 94 far 4 90 5 - 4.9-7.4 HB3 GLU 44 - HG3 LYS 40 far 0 67 0 - 5.5-9.0 HB3 GLU 98 - HG2 LYS 94 far 0 91 0 - 5.6-8.8 QE MET 74 - HG3 LYS 40 far 0 68 0 - 6.1-7.9 HB2 MET 21 - HG2 LYS 94 far 0 81 0 - 6.5-9.0 HG12 ILE 93 - HG2 LYS 94 far 0 96 0 - 7.8-9.4 HB3 GLU 99 - HG2 LYS 94 far 0 96 0 - 8.2-11.2 HB2 GLU 99 - HG2 LYS 94 far 0 91 0 - 8.5-11.4 Violated in 0 structures by 0.00 A. Peak 4212 from cnoeabs.peaks (1.34, 1.34, 24.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 HG3 LYS 40 + HG3 LYS 40 OK 69 69 - 100 Peak 4213 from cnoeabs.peaks (1.38, 1.34, 24.57 ppm; 2.40 A): 1 out of 3 assignments used, quality = 1.00: * HG3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 LYS 39 - HG3 LYS 40 far 0 46 0 - 5.0-8.9 HB3 ARG 30 - HG3 LYS 40 far 0 78 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 4214 from cnoeabs.peaks (1.62, 1.34, 24.57 ppm; 3.46 A): 3 out of 10 assignments used, quality = 1.00: * HD2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HD3 LYS 94 + HG2 LYS 94 OK 84 84 100 100 2.3-3.0 3.0=100 HB2 LYS 40 + HG3 LYS 40 OK 67 67 100 100 2.2-2.9 2.9=100 HD2 LYS 39 - HG3 LYS 40 far 0 55 0 - 5.2-9.7 HG2 LYS 24 - HG2 LYS 94 far 0 61 0 - 6.5-10.8 HD3 LYS 39 - HG3 LYS 40 far 0 72 0 - 6.8-8.9 HG LEU 27 - HG2 LYS 94 far 0 84 0 - 8.3-10.7 HG3 LYS 47 - HG3 LYS 40 far 0 81 0 - 8.4-11.5 HB2 LEU 103 - HG2 LYS 94 far 0 59 0 - 8.5-17.9 HB2 ARG 30 - HG3 LYS 40 far 0 68 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 4215 from cnoeabs.peaks (1.60, 1.34, 24.57 ppm; 3.43 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HD2 LYS 94 + HG2 LYS 94 OK 84 84 100 100 2.3-3.0 3.0=100 HG2 LYS 24 - HG2 LYS 94 far 0 98 0 - 6.5-10.8 HG3 LYS 90 - HG2 LYS 94 far 0 97 0 - 7.1-10.4 HG LEU 27 - HG2 LYS 94 far 0 100 0 - 8.3-10.7 HG3 LYS 47 - HG3 LYS 40 far 0 64 0 - 8.4-11.5 HB2 LEU 103 - HG2 LYS 94 far 0 98 0 - 8.5-17.9 HB2 ARG 30 - HG3 LYS 40 far 0 80 0 - 8.6-11.0 HG LEU 103 - HG2 LYS 94 far 0 96 0 - 9.3-19.2 Violated in 0 structures by 0.00 A. Peak 4216 from cnoeabs.peaks (2.92, 1.34, 24.57 ppm; 4.26 A): 2 out of 4 assignments used, quality = 1.00: * HE2 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.1-4.0 3.9=100 HE3 LYS 94 + HG2 LYS 94 OK 99 99 100 100 2.0-3.8 3.9=100 HG2 MET 21 - HG2 LYS 94 far 5 92 5 - 5.6-8.2 HE3 LYS 90 - HG2 LYS 94 far 0 96 0 - 7.2-12.6 Violated in 0 structures by 0.00 A. Peak 4217 from cnoeabs.peaks (2.91, 1.34, 24.57 ppm; 4.26 A): 2 out of 5 assignments used, quality = 1.00: * HE3 LYS 94 + HG2 LYS 94 OK 100 100 100 100 2.0-3.8 3.9=100 HE2 LYS 94 + HG2 LYS 94 OK 99 99 100 100 2.1-4.0 3.9=100 HG2 MET 21 - HG2 LYS 94 far 4 79 5 - 5.6-8.2 HE3 LYS 39 - HG3 LYS 40 far 2 49 5 - 5.7-10.3 HE3 LYS 90 - HG2 LYS 94 far 0 85 0 - 7.2-12.6 Violated in 0 structures by 0.00 A. Peak 4218 from cnoeabs.peaks (8.36, 1.34, 24.57 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 95 + HG2 LYS 94 OK 100 100 100 100 2.6-4.6 4.9=100 H ILE 93 + HG2 LYS 94 OK 68 100 70 97 5.1-7.2 7498/4208=63...(14) Violated in 0 structures by 0.00 A. Peak 4219 from cnoeabs.peaks (8.26, 1.38, 24.57 ppm; 4.82 A): 1 out of 5 assignments used, quality = 1.00: * H LYS 94 + HG3 LYS 94 OK 100 100 100 100 1.7-4.4 7516=100, 7513/2.9=93...(27) H PHE 45 - HG3 LYS 40 far 0 76 0 - 6.9-9.3 H GLU 23 - HG3 LYS 94 far 0 98 0 - 8.7-11.4 H LEU 27 - HG3 LYS 94 far 0 88 0 - 9.0-11.7 H LEU 103 - HG3 LYS 94 far 0 88 0 - 9.1-17.0 Violated in 0 structures by 0.00 A. Peak 4220 from cnoeabs.peaks (3.87, 1.38, 24.57 ppm; 3.59 A): 3 out of 7 assignments used, quality = 1.00: * HA LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.0-3.6 4175=99, 3.0/7516=45...(25) HA LYS 40 + HG3 LYS 40 OK 76 76 100 99 2.2-3.5 3.8=86, ~6631=29...(28) HA ARG 91 + HG3 LYS 94 OK 63 90 90 78 2.6-5.3 4186/2.9=21...(17) HA ALA 22 - HG3 LYS 94 far 0 59 0 - 6.3-9.4 HA GLU 43 - HG3 LYS 40 far 0 68 0 - 6.5-8.2 HA LEU 38 - HG3 LYS 40 far 0 74 0 - 7.2-8.0 HA ALA 89 - HG3 LYS 94 far 0 68 0 - 7.5-11.1 Violated in 0 structures by 0.00 A. Peak 4221 from cnoeabs.peaks (1.92, 1.38, 24.57 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.5-2.9 2.9=100 HB2 GLU 43 - HG3 LYS 40 poor 12 69 30 56 4.9-6.8 1780/3.8=26...(10) HG LEU 42 - HG3 LYS 40 far 0 57 0 - 6.9-8.5 HB3 ARG 46 - HG3 LYS 40 far 0 41 0 - 8.9-12.1 HB2 GLU 17 - HG3 LYS 94 far 0 93 0 - 9.5-12.8 HB3 LYS 20 - HG3 LYS 94 far 0 98 0 - 9.7-12.1 HB3 LYS 47 - HG3 LYS 40 far 0 76 0 - 9.9-13.0 Violated in 0 structures by 0.00 A. Peak 4222 from cnoeabs.peaks (2.02, 1.38, 24.57 ppm; 3.86 A): 1 out of 11 assignments used, quality = 1.00: * HB3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.3-2.9 2.9=100 HB2 MET 21 - HG3 LYS 94 far 8 81 10 - 5.2-8.3 HB2 GLU 44 - HG3 LYS 40 far 6 62 10 - 4.3-7.7 HB3 GLU 44 - HG3 LYS 40 far 0 62 0 - 5.5-9.0 HG12 ILE 93 - HG3 LYS 94 far 0 96 0 - 6.0-9.3 QE MET 74 - HG3 LYS 40 far 0 64 0 - 6.1-7.9 HB2 GLU 98 - HG3 LYS 94 far 0 90 0 - 6.3-8.0 HB3 GLU 98 - HG3 LYS 94 far 0 91 0 - 7.3-9.4 HB3 GLU 99 - HG3 LYS 94 far 0 96 0 - 8.2-11.9 HB2 GLU 99 - HG3 LYS 94 far 0 91 0 - 8.4-11.7 HB3 GLU 17 - HG3 LYS 94 far 0 96 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 4223 from cnoeabs.peaks (1.34, 1.38, 24.57 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HG2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 1.8-1.8 1.8=100 QB ALA 25 - HG3 LYS 94 far 10 100 10 - 3.7-6.5 HG2 LYS 39 - HG3 LYS 40 far 0 75 0 - 5.0-8.9 QB ALA 89 - HG3 LYS 94 far 0 100 0 - 7.3-10.2 HB3 LEU 42 - HG3 LYS 40 far 0 43 0 - 8.6-10.0 HB3 ARG 30 - HG3 LYS 40 far 0 49 0 - 9.4-10.7 HB3 LEU 27 - HG3 LYS 94 far 0 100 0 - 9.7-12.5 QB ALA 67 - HG3 LYS 40 far 0 76 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 4224 from cnoeabs.peaks (1.38, 1.38, 24.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 HG3 LYS 40 + HG3 LYS 40 OK 62 62 - 100 Peak 4225 from cnoeabs.peaks (1.62, 1.38, 24.57 ppm; 3.43 A): 3 out of 10 assignments used, quality = 1.00: * HD2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HD3 LYS 94 + HG3 LYS 94 OK 84 84 100 100 2.2-3.0 3.0=100 HB2 LYS 40 + HG3 LYS 40 OK 62 62 100 100 2.2-2.9 2.9=100 HD2 LYS 39 - HG3 LYS 40 far 0 52 0 - 5.2-9.7 HG2 LYS 24 - HG3 LYS 94 far 0 61 0 - 6.1-11.0 HD3 LYS 39 - HG3 LYS 40 far 0 68 0 - 6.8-8.9 HG LEU 27 - HG3 LYS 94 far 0 84 0 - 7.5-10.3 HG3 LYS 47 - HG3 LYS 40 far 0 76 0 - 8.4-11.5 HB2 LEU 103 - HG3 LYS 94 far 0 59 0 - 8.5-17.5 HB2 ARG 30 - HG3 LYS 40 far 0 64 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 4226 from cnoeabs.peaks (1.60, 1.38, 24.57 ppm; 3.39 A): 2 out of 9 assignments used, quality = 1.00: * HD3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HD2 LYS 94 + HG3 LYS 94 OK 84 84 100 100 2.2-3.0 3.0=100 HG2 LYS 24 - HG3 LYS 94 far 0 98 0 - 6.1-11.0 HG3 LYS 90 - HG3 LYS 94 far 0 97 0 - 6.6-9.2 HG LEU 27 - HG3 LYS 94 far 0 100 0 - 7.5-10.3 HG3 LYS 47 - HG3 LYS 40 far 0 60 0 - 8.4-11.5 HG LEU 103 - HG3 LYS 94 far 0 96 0 - 8.5-18.5 HB2 LEU 103 - HG3 LYS 94 far 0 98 0 - 8.5-17.5 HB2 ARG 30 - HG3 LYS 40 far 0 76 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 4227 from cnoeabs.peaks (2.92, 1.38, 24.57 ppm; 4.19 A): 3 out of 4 assignments used, quality = 1.00: * HE2 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.3-3.9 3.9=100 HE3 LYS 94 + HG3 LYS 94 OK 99 99 100 100 2.0-3.9 3.9=100 HG2 MET 21 + HG3 LYS 94 OK 59 92 70 92 4.4-7.7 8534/7516=36...(20) HE3 LYS 90 - HG3 LYS 94 far 0 96 0 - 7.1-11.2 Violated in 0 structures by 0.00 A. Peak 4228 from cnoeabs.peaks (2.91, 1.38, 24.57 ppm; 4.19 A): 3 out of 5 assignments used, quality = 1.00: * HE3 LYS 94 + HG3 LYS 94 OK 100 100 100 100 2.0-3.9 3.9=100 HE2 LYS 94 + HG3 LYS 94 OK 99 99 100 100 2.3-3.9 3.9=100 HG2 MET 21 + HG3 LYS 94 OK 50 79 70 91 4.4-7.7 3.4/12253=36...(20) HE3 LYS 39 - HG3 LYS 40 far 0 46 0 - 5.7-10.3 HE3 LYS 90 - HG3 LYS 94 far 0 85 0 - 7.1-11.2 Violated in 0 structures by 0.00 A. Peak 4229 from cnoeabs.peaks (8.36, 1.38, 24.57 ppm; 4.94 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 95 + HG3 LYS 94 OK 100 100 100 100 1.9-4.7 4.9=100 H ILE 93 + HG3 LYS 94 OK 77 100 80 96 3.4-6.9 7498/7516=69...(13) Violated in 0 structures by 0.00 A. Peak 4230 from cnoeabs.peaks (8.26, 1.62, 29.36 ppm; 5.45 A): 2 out of 12 assignments used, quality = 1.00: * H LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.7-4.6 7513/3.5=95, 7516/3.0=89...(29) H LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.3-4.5 7513/3.5=95, 7516/3.0=89...(30) H ALA 71 - HD2 LYS 68 poor 11 56 20 - 5.4-8.2 H ALA 71 - HD3 LYS 68 far 9 58 15 - 6.4-8.1 H ALA 71 - HD2 LYS 39 far 9 57 15 - 6.5-9.5 H ALA 71 - HD3 LYS 39 far 0 88 0 - 7.1-8.7 H LEU 27 - HD3 LYS 94 far 0 54 0 - 7.9-11.9 H LEU 27 - HD2 LYS 94 far 0 88 0 - 7.9-11.3 H GLU 23 - HD3 LYS 94 far 0 64 0 - 8.0-10.8 H GLU 23 - HD2 LYS 94 far 0 98 0 - 8.5-9.8 H PHE 45 - HD2 LYS 39 far 0 57 0 - 9.8-12.4 H LEU 103 - HD3 LYS 68 far 0 46 0 - 9.9-16.1 Violated in 0 structures by 0.00 A. Peak 4231 from cnoeabs.peaks (3.87, 1.62, 29.36 ppm; 4.29 A): 6 out of 24 assignments used, quality = 1.00: * HA LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.0-4.7 4175/3.0=74, 4.7=74...(50) HA LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.0-4.7 4175/3.0=74, 4.7=74...(48) HA ARG 91 + HD2 LYS 94 OK 64 90 85 84 2.0-7.1 4186/3.5=25, 4220/3.0=20...(17) HA ARG 91 + HD3 LYS 94 OK 43 55 95 83 1.9-6.0 4186/3.5=25, 4220/3.0=20...(17) HA LYS 40 + HD3 LYS 39 OK 38 89 45 96 4.7-6.8 ~1712=25, 1773/3.0=21...(37) HA LYS 40 + HD2 LYS 39 OK 24 57 45 95 3.2-7.7 ~1712=25, 1773/3.0=21...(31) HA GLU 35 - HD2 LYS 39 poor 19 47 40 - 4.4-6.7 HA GLU 35 - HD3 LYS 39 poor 15 75 20 - 5.3-7.8 HA ALA 22 - HD3 LYS 94 far 2 33 5 - 5.5-9.2 HA ALA 67 - HD2 LYS 39 far 0 54 0 - 6.1-8.8 HA LEU 38 - HD3 LYS 39 far 0 87 0 - 6.2-8.2 HA ALA 22 - HD2 LYS 94 far 0 59 0 - 6.2-7.9 HA LEU 38 - HD2 LYS 39 far 0 56 0 - 6.5-7.9 HA ALA 67 - HD3 LYS 39 far 0 84 0 - 6.6-8.9 HA ALA 71 - HD2 LYS 68 far 0 46 0 - 6.7-10.4 HA ALA 67 - HD2 LYS 68 far 0 52 0 - 6.8-8.9 HA GLU 43 - HD3 LYS 39 far 0 80 0 - 7.3-9.1 HA ALA 67 - HD3 LYS 68 far 0 55 0 - 7.3-8.6 HA ALA 71 - HD3 LYS 39 far 0 77 0 - 7.4-8.9 HA ALA 71 - HD2 LYS 39 far 0 48 0 - 7.4-9.9 HA ALA 89 - HD3 LYS 94 far 0 39 0 - 7.5-11.0 HA ALA 71 - HD3 LYS 68 far 0 49 0 - 7.5-10.2 HA ALA 89 - HD2 LYS 94 far 0 68 0 - 7.6-11.6 HA GLU 43 - HD2 LYS 39 far 0 50 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 4232 from cnoeabs.peaks (1.92, 1.62, 29.36 ppm; 3.71 A): 2 out of 23 assignments used, quality = 1.00: * HB2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.0-3.9 3.5=100 HB2 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.0-3.8 3.5=100 HB2 LYS 73 - HD3 LYS 39 far 0 54 0 - 5.4-7.9 HB2 LYS 73 - HD2 LYS 39 far 0 32 0 - 5.4-8.3 HB3 LYS 73 - HD3 LYS 39 far 0 55 0 - 6.3-8.9 HG LEU 42 - HD3 LYS 39 far 0 69 0 - 6.3-8.4 HB3 LYS 73 - HD2 LYS 39 far 0 33 0 - 6.4-9.2 HG LEU 42 - HD2 LYS 39 far 0 42 0 - 6.5-8.7 HB2 GLU 43 - HD3 LYS 39 far 0 81 0 - 6.7-9.0 HB2 GLU 43 - HD2 LYS 39 far 0 51 0 - 6.9-10.2 HB2 GLU 17 - HD3 LYS 94 far 0 58 0 - 7.5-11.9 HB2 GLU 17 - HD2 LYS 94 far 0 93 0 - 7.9-13.0 HB3 LYS 20 - HD2 LYS 94 far 0 98 0 - 8.6-10.6 HB2 LYS 73 - HD2 LYS 68 far 0 31 0 - 8.9-11.8 HB3 LYS 20 - HD3 LYS 94 far 0 64 0 - 8.9-10.8 HB2 LYS 20 - HD2 LYS 94 far 0 71 0 - 9.0-12.1 HB VAL 54 - HD3 LYS 68 far 0 30 0 - 9.0-12.3 HB2 LYS 20 - HD3 LYS 94 far 0 41 0 - 9.2-12.2 HB3 ARG 46 - HD3 LYS 39 far 0 50 0 - 9.4-12.4 HB VAL 32 - HD3 LYS 39 far 0 79 0 - 9.5-12.0 HB3 ARG 46 - HD2 LYS 39 far 0 29 0 - 9.5-13.1 HB VAL 32 - HD2 LYS 39 far 0 49 0 - 9.6-11.5 HB VAL 54 - HD2 LYS 68 far 0 29 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 4233 from cnoeabs.peaks (2.02, 1.62, 29.36 ppm; 3.73 A): 6 out of 21 assignments used, quality = 1.00: * HB3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-3.9 3.5=100 QE MET 74 + HD3 LYS 39 OK 70 75 100 93 3.0-4.8 12072/3.0=41...(17) HB3 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.4-4.0 3.5=100 HB2 MET 21 + HD2 LYS 94 OK 45 81 80 70 4.1-7.6 4.3/12250=19, 4203=12...(25) QE MET 74 + HD2 LYS 39 OK 39 47 90 93 3.8-5.3 12072/3.0=41...(15) HB2 MET 21 + HD3 LYS 94 OK 21 48 65 67 4.2-6.6 4.3/10443=15, 4203/1.8=9...(25) HB2 GLU 35 - HD2 LYS 39 poor 13 52 25 - 4.7-7.2 HB2 GLU 35 - HD3 LYS 39 far 0 82 0 - 5.6-8.6 HB2 GLU 98 - HD2 LYS 94 far 0 90 0 - 5.7-9.8 HB3 GLU 98 - HD2 LYS 94 far 0 91 0 - 6.2-11.1 HG12 ILE 93 - HD3 LYS 94 far 0 62 0 - 6.3-9.1 HG12 ILE 93 - HD2 LYS 94 far 0 96 0 - 6.5-8.3 HB2 GLU 98 - HD3 LYS 94 far 0 55 0 - 6.9-9.3 HB3 GLU 17 - HD2 LYS 94 far 0 96 0 - 7.3-12.4 HB3 GLU 17 - HD3 LYS 94 far 0 61 0 - 7.4-12.4 HB3 GLU 98 - HD3 LYS 94 far 0 56 0 - 7.5-10.5 HB2 GLU 99 - HD2 LYS 94 far 0 91 0 - 9.1-13.0 QE MET 74 - HD2 LYS 68 far 0 46 0 - 9.3-12.5 HB2 GLU 99 - HD3 LYS 94 far 0 56 0 - 9.6-12.8 QE MET 74 - HD3 LYS 68 far 0 48 0 - 9.8-12.6 HB2 GLU 44 - HD2 LYS 39 far 0 46 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 4234 from cnoeabs.peaks (1.34, 1.62, 29.36 ppm; 2.97 A): 6 out of 26 assignments used, quality = 1.00: * HG2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 39 + HD3 LYS 39 OK 88 88 100 100 2.2-3.0 3.0=100 HG2 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.3-3.0 3.0=100 HG2 LYS 39 + HD2 LYS 39 OK 56 56 100 100 2.2-3.0 3.0=100 HG3 LYS 68 + HD3 LYS 68 OK 56 56 100 100 2.2-2.9 3.0=100 HG3 LYS 68 + HD2 LYS 68 OK 54 54 100 100 2.2-2.9 3.0=100 QB ALA 25 - HD3 LYS 94 poor 14 68 20 - 2.5-6.8 QB ALA 25 - HD2 LYS 94 poor 9 100 20 43 2.4-6.0 10334/4.7=12...(7) HB2 LEU 70 - HD2 LYS 39 far 2 37 5 - 4.4-7.3 HG3 LYS 40 - HD2 LYS 39 far 0 48 0 - 5.2-9.7 HB2 LEU 70 - HD3 LYS 39 far 0 62 0 - 5.2-6.6 QB ALA 67 - HD2 LYS 68 far 0 56 0 - 5.5-7.4 QB ALA 67 - HD3 LYS 68 far 0 58 0 - 5.6-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 58 0 - 6.7-9.1 QB ALA 89 - HD3 LYS 94 far 0 68 0 - 6.7-10.0 QB ALA 89 - HD2 LYS 94 far 0 100 0 - 6.8-10.6 HG3 LYS 40 - HD3 LYS 39 far 0 77 0 - 6.8-8.9 QB ALA 67 - HD2 LYS 39 far 0 57 0 - 6.9-9.0 QB ALA 67 - HD3 LYS 39 far 0 89 0 - 7.0-9.1 HB2 LEU 70 - HD2 LYS 68 far 0 36 0 - 7.5-9.5 HB3 LEU 42 - HD3 LYS 39 far 0 52 0 - 8.1-9.4 HB3 LEU 42 - HD2 LYS 39 far 0 31 0 - 8.2-9.7 HB2 LYS 82 - HD2 LYS 68 far 0 56 0 - 8.2-10.4 HB2 LEU 70 - HD3 LYS 68 far 0 38 0 - 8.4-9.6 HB3 LEU 27 - HD3 LYS 94 far 0 67 0 - 8.6-12.6 HB3 LEU 27 - HD2 LYS 94 far 0 100 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 4235 from cnoeabs.peaks (1.38, 1.62, 29.36 ppm; 2.92 A): 6 out of 20 assignments used, quality = 1.00: * HG3 LYS 94 + HD2 LYS 94 OK 99 100 100 99 2.2-3.0 3.0=95, 4175/4.7=20...(37) HG3 LYS 94 + HD3 LYS 94 OK 68 68 100 99 2.2-3.0 3.0=95, 4175/4.7=20...(35) HG2 LYS 39 + HD3 LYS 39 OK 52 52 100 100 2.2-3.0 3.0=96, 1.8/1720=33...(75) HG3 LYS 68 + HD3 LYS 68 OK 36 36 100 100 2.2-2.9 3.0=96, 3038/1.8=11...(81) HG3 LYS 68 + HD2 LYS 68 OK 34 34 100 100 2.2-2.9 3.0=96, 3038/1.8=11...(79) HG2 LYS 39 + HD2 LYS 39 OK 31 31 100 100 2.2-3.0 3.0=96, 1.8/1720=32...(69) QB ALA 71 - HD2 LYS 68 far 4 36 10 - 3.7-7.1 HB2 LEU 70 - HD2 LYS 39 far 3 54 5 - 4.4-7.3 QB ALA 71 - HD3 LYS 68 far 2 38 5 - 4.2-6.8 HG3 LYS 40 - HD2 LYS 39 far 0 46 0 - 5.2-9.7 HB2 LEU 70 - HD3 LYS 39 far 0 84 0 - 5.2-6.6 HB2 LYS 82 - HD3 LYS 68 far 0 29 0 - 6.7-9.1 HG3 LYS 40 - HD3 LYS 39 far 0 74 0 - 6.8-8.9 QB ALA 71 - HD2 LYS 39 far 0 37 0 - 7.4-9.7 HB2 LEU 70 - HD2 LYS 68 far 0 52 0 - 7.5-9.5 QB ALA 71 - HD3 LYS 39 far 0 62 0 - 7.6-8.9 HB2 LYS 82 - HD2 LYS 68 far 0 28 0 - 8.2-10.4 HB2 LEU 70 - HD3 LYS 68 far 0 55 0 - 8.4-9.6 HB3 LEU 27 - HD3 LYS 94 far 0 36 0 - 8.6-12.6 HB3 LEU 27 - HD2 LYS 94 far 0 63 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 4236 from cnoeabs.peaks (1.62, 1.62, 29.36 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 80 80 - 100 HD3 LYS 94 + HD3 LYS 94 OK 50 50 - 100 HD3 LYS 68 + HD3 LYS 68 OK 42 42 - 100 HD2 LYS 68 + HD2 LYS 68 OK 39 39 - 100 HD2 LYS 39 + HD2 LYS 39 OK 37 37 - 100 Peak 4237 from cnoeabs.peaks (1.60, 1.62, 29.36 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: HD2 LYS 94 + HD2 LYS 94 OK 84 84 - 100 HD3 LYS 94 + HD3 LYS 94 OK 68 68 - 100 Reference assignment not found: HD3 LYS 94 - HD2 LYS 94 Peak 4238 from cnoeabs.peaks (2.92, 1.62, 29.36 ppm; 2.96 A): 10 out of 27 assignments used, quality = 1.00: * HE2 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 94 + HD2 LYS 94 OK 99 99 100 100 2.2-3.0 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.2-3.0 3.0=100 HE3 LYS 94 + HD3 LYS 94 OK 66 66 100 100 2.4-3.0 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 56 56 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(78) HE3 LYS 68 + HD3 LYS 68 OK 55 55 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(78) HE2 LYS 68 + HD2 LYS 68 OK 53 54 100 100 2.3-3.0 3.0=97, 4267/3.0=9...(77) HE3 LYS 68 + HD2 LYS 68 OK 52 52 100 100 2.6-3.0 3.0=97, 4267/3.0=9...(77) HG2 MET 21 + HD2 LYS 94 OK 38 92 60 69 2.8-7.2 3.4/12250=14, ~12251=9...(25) HG2 MET 21 + HD3 LYS 94 OK 25 57 65 66 3.2-6.6 3.4/10443=12, 8534/6.3=9...(24) HE3 LYS 73 - HD3 LYS 39 far 3 69 5 - 4.1-10.1 HE2 LYS 73 - HD3 LYS 39 far 3 61 5 - 4.3-10.6 HE3 LYS 73 - HD2 LYS 39 far 2 42 5 - 4.0-10.8 HE2 LYS 73 - HD2 LYS 39 far 2 36 5 - 3.4-11.3 HE3 LYS 90 - HD3 LYS 94 far 0 61 0 - 5.0-10.8 HE3 LYS 90 - HD2 LYS 94 far 0 96 0 - 5.5-11.9 HE3 LYS 66 - HD3 LYS 39 far 0 78 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 43 0 - 6.3-10.6 HE3 LYS 66 - HD2 LYS 39 far 0 48 0 - 6.5-11.3 HE3 LYS 66 - HD2 LYS 68 far 0 47 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 50 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 70 0 - 7.6-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 42 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 44 0 - 8.7-13.2 HE2 LYS 20 - HD3 LYS 94 far 0 66 0 - 9.4-13.1 HE2 LYS 20 - HD2 LYS 94 far 0 99 0 - 9.6-13.2 HE3 LYS 73 - HD2 LYS 68 far 0 41 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 4239 from cnoeabs.peaks (2.91, 1.62, 29.36 ppm; 2.96 A): 11 out of 27 assignments used, quality = 1.00: * HE3 LYS 94 + HD2 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HE2 LYS 94 + HD2 LYS 94 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 94 + HD3 LYS 94 OK 68 68 100 100 2.4-3.0 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 66 66 100 100 2.2-3.0 3.0=100 HE2 LYS 68 + HD3 LYS 68 OK 58 59 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(78) HE3 LYS 68 + HD3 LYS 68 OK 58 58 100 100 2.2-3.0 3.0=97, 4267/3.0=9...(79) HE2 LYS 68 + HD2 LYS 68 OK 56 56 100 100 2.3-3.0 3.0=97, 4267/3.0=9...(77) HE3 LYS 68 + HD2 LYS 68 OK 56 56 100 100 2.6-3.0 3.0=97, 4267/3.0=9...(77) HE3 LYS 39 + HD3 LYS 39 OK 55 55 100 100 2.2-2.9 3.0=98, 3.5/1720=18...(35) HE3 LYS 39 + HD2 LYS 39 OK 33 33 100 100 2.2-3.0 3.0=98, 3.5/1720=18...(35) HG2 MET 21 + HD2 LYS 94 OK 32 79 60 68 2.8-7.2 3.4/12250=14, ~12251=9...(25) HG2 MET 21 - HD3 LYS 94 poor 20 47 65 65 3.2-6.6 3.4/10443=12, ~12250=8...(24) HE3 LYS 73 - HD3 LYS 39 far 3 54 5 - 4.1-10.1 HE3 LYS 73 - HD2 LYS 39 far 2 32 5 - 4.0-10.8 HE3 LYS 90 - HD3 LYS 94 far 0 52 0 - 5.0-10.8 HE3 LYS 90 - HD2 LYS 94 far 0 85 0 - 5.5-11.9 HE3 LYS 66 - HD3 LYS 39 far 0 86 0 - 6.3-10.8 HE2 LYS 66 - HD2 LYS 39 far 0 51 0 - 6.3-10.6 HE3 LYS 66 - HD2 LYS 39 far 0 55 0 - 6.5-11.3 HE3 LYS 66 - HD2 LYS 68 far 0 54 0 - 7.3-12.3 HE3 LYS 66 - HD3 LYS 68 far 0 56 0 - 7.5-12.6 HE2 LYS 66 - HD3 LYS 39 far 0 81 0 - 7.6-11.5 HE2 LYS 66 - HD2 LYS 68 far 0 50 0 - 8.4-12.3 HE2 LYS 66 - HD3 LYS 68 far 0 52 0 - 8.7-13.2 HE2 LYS 20 - HD3 LYS 94 far 0 68 0 - 9.4-13.1 HE2 LYS 20 - HD2 LYS 94 far 0 100 0 - 9.6-13.2 HE3 LYS 73 - HD2 LYS 68 far 0 31 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 4240 from cnoeabs.peaks (8.36, 1.62, 29.36 ppm; 5.83 A): 4 out of 5 assignments used, quality = 1.00: * H GLU 95 + HD2 LYS 94 OK 100 100 100 100 4.2-5.4 7531/3.5=97, 7530/3.5=94...(18) H ILE 93 + HD2 LYS 94 OK 98 100 100 98 4.1-7.2 7498/6.3=59, 4195/3.5=39...(15) H GLU 95 + HD3 LYS 94 OK 68 68 100 100 3.9-5.2 7531/3.5=97, 7530/3.5=94...(16) H ILE 93 + HD3 LYS 94 OK 66 68 100 97 3.6-6.9 7498/6.3=59, 4195/3.5=39...(14) H GLU 63 - HD3 LYS 68 far 0 45 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 4241 from cnoeabs.peaks (8.26, 1.60, 29.36 ppm; 5.73 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-4.5 7513/3.5=98, 7516/3.0=93...(29) H LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.7-4.6 7513/3.5=98, 7516/3.0=93...(27) H LEU 27 - HD3 LYS 94 far 0 88 0 - 7.9-11.9 H LEU 27 - HD2 LYS 94 far 0 54 0 - 7.9-11.3 H GLU 23 - HD3 LYS 94 far 0 98 0 - 8.0-10.8 H GLU 23 - HD2 LYS 94 far 0 64 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 4242 from cnoeabs.peaks (3.87, 1.60, 29.36 ppm; 4.47 A): 4 out of 8 assignments used, quality = 1.00: * HA LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.0-4.7 4.7=84, 4175/3.0=78...(50) HA ARG 91 + HD3 LYS 94 OK 75 90 95 88 1.9-6.0 4186/3.5=27, 4220/3.0=21...(17) HA LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.0-4.7 4.7=84, 4175/3.0=78...(49) HA ARG 91 + HD2 LYS 94 OK 39 55 85 84 2.0-7.1 4186/3.5=27, 4220/3.0=21...(15) HA ALA 22 - HD3 LYS 94 far 3 59 5 - 5.5-9.2 HA ALA 22 - HD2 LYS 94 far 0 33 0 - 6.2-7.9 HA ALA 89 - HD3 LYS 94 far 0 68 0 - 7.5-11.0 HA ALA 89 - HD2 LYS 94 far 0 39 0 - 7.6-11.6 Violated in 0 structures by 0.00 A. Peak 4243 from cnoeabs.peaks (1.92, 1.60, 29.36 ppm; 3.68 A): 2 out of 8 assignments used, quality = 1.00: * HB2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.0-3.8 3.5=100 HB2 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.0-3.9 3.5=100 HB2 GLU 17 - HD3 LYS 94 far 0 93 0 - 7.5-11.9 HB2 GLU 17 - HD2 LYS 94 far 0 58 0 - 7.9-13.0 HB3 LYS 20 - HD2 LYS 94 far 0 64 0 - 8.6-10.6 HB3 LYS 20 - HD3 LYS 94 far 0 98 0 - 8.9-10.8 HB2 LYS 20 - HD2 LYS 94 far 0 41 0 - 9.0-12.1 HB2 LYS 20 - HD3 LYS 94 far 0 71 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 4244 from cnoeabs.peaks (2.02, 1.60, 29.36 ppm; 4.04 A): 4 out of 14 assignments used, quality = 1.00: * HB3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.4-4.0 3.5=100 HB3 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.3-3.9 3.5=100 HB2 MET 21 + HD3 LYS 94 OK 51 81 80 79 4.2-6.6 4.3/12251=24...(25) HB2 MET 21 + HD2 LYS 94 OK 30 48 85 73 4.1-7.6 4.3/10443=18...(24) HB2 GLU 98 - HD2 LYS 94 far 0 55 0 - 5.7-9.8 HB3 GLU 98 - HD2 LYS 94 far 0 56 0 - 6.2-11.1 HG12 ILE 93 - HD3 LYS 94 far 0 96 0 - 6.3-9.1 HG12 ILE 93 - HD2 LYS 94 far 0 62 0 - 6.5-8.3 HB2 GLU 98 - HD3 LYS 94 far 0 90 0 - 6.9-9.3 HB3 GLU 17 - HD2 LYS 94 far 0 61 0 - 7.3-12.4 HB3 GLU 17 - HD3 LYS 94 far 0 96 0 - 7.4-12.4 HB3 GLU 98 - HD3 LYS 94 far 0 91 0 - 7.5-10.5 HB2 GLU 99 - HD2 LYS 94 far 0 56 0 - 9.1-13.0 HB2 GLU 99 - HD3 LYS 94 far 0 91 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 4245 from cnoeabs.peaks (1.34, 1.60, 29.36 ppm; 3.41 A): 2 out of 8 assignments used, quality = 1.00: * HG2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.3-3.0 3.0=100 HG2 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.3-3.0 3.0=100 QB ALA 25 - HD2 LYS 94 poor 14 68 20 - 2.4-6.0 QB ALA 25 - HD3 LYS 94 poor 11 100 20 55 2.5-6.8 8624/12251=17...(8) QB ALA 89 - HD3 LYS 94 far 0 100 0 - 6.7-10.0 QB ALA 89 - HD2 LYS 94 far 0 68 0 - 6.8-10.6 HB3 LEU 27 - HD3 LYS 94 far 0 100 0 - 8.6-12.6 HB3 LEU 27 - HD2 LYS 94 far 0 67 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 4246 from cnoeabs.peaks (1.38, 1.60, 29.36 ppm; 3.29 A): 2 out of 4 assignments used, quality = 1.00: * HG3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.2-3.0 3.0=100 HB3 LEU 27 - HD3 LYS 94 far 0 63 0 - 8.6-12.6 HB3 LEU 27 - HD2 LYS 94 far 0 36 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 4247 from cnoeabs.peaks (1.62, 1.60, 29.36 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: HD3 LYS 94 + HD3 LYS 94 OK 84 84 - 100 HD2 LYS 94 + HD2 LYS 94 OK 68 68 - 100 Reference assignment not found: HD2 LYS 94 - HD3 LYS 94 Peak 4248 from cnoeabs.peaks (1.60, 1.60, 29.36 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 50 50 - 100 Peak 4249 from cnoeabs.peaks (2.92, 1.60, 29.36 ppm; 3.31 A): 6 out of 10 assignments used, quality = 1.00: * HE2 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=100 HE3 LYS 94 + HD3 LYS 94 OK 99 99 100 100 2.4-3.0 3.0=100 HE2 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.2-3.0 3.0=100 HE3 LYS 94 + HD2 LYS 94 OK 66 66 100 100 2.2-3.0 3.0=100 HG2 MET 21 + HD3 LYS 94 OK 52 92 70 81 3.2-6.6 3.4/12251=19...(26) HG2 MET 21 + HD2 LYS 94 OK 31 57 70 77 2.8-7.2 3.4/10443=15, ~12251=12...(25) HE3 LYS 90 - HD3 LYS 94 far 0 96 0 - 5.0-10.8 HE3 LYS 90 - HD2 LYS 94 far 0 61 0 - 5.5-11.9 HE2 LYS 20 - HD3 LYS 94 far 0 99 0 - 9.4-13.1 HE2 LYS 20 - HD2 LYS 94 far 0 66 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 4250 from cnoeabs.peaks (2.91, 1.60, 29.36 ppm; 3.31 A): 6 out of 10 assignments used, quality = 1.00: * HE3 LYS 94 + HD3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=100 HE2 LYS 94 + HD3 LYS 94 OK 99 99 100 100 2.2-3.0 3.0=100 HE3 LYS 94 + HD2 LYS 94 OK 68 68 100 100 2.2-3.0 3.0=100 HE2 LYS 94 + HD2 LYS 94 OK 66 66 100 100 2.2-3.0 3.0=100 HG2 MET 21 + HD3 LYS 94 OK 44 79 70 80 3.2-6.6 3.4/12251=19, ~12250=11...(26) HG2 MET 21 + HD2 LYS 94 OK 25 47 70 76 2.8-7.2 3.4/10443=15, ~12251=12...(25) HE3 LYS 90 - HD3 LYS 94 far 0 85 0 - 5.0-10.8 HE3 LYS 90 - HD2 LYS 94 far 0 52 0 - 5.5-11.9 HE2 LYS 20 - HD3 LYS 94 far 0 100 0 - 9.4-13.1 HE2 LYS 20 - HD2 LYS 94 far 0 68 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 4251 from cnoeabs.peaks (8.36, 1.60, 29.36 ppm; 5.74 A): 4 out of 4 assignments used, quality = 1.00: * H GLU 95 + HD3 LYS 94 OK 100 100 100 100 3.9-5.2 7531/3.5=96, 7530/3.5=93...(16) H ILE 93 + HD3 LYS 94 OK 98 100 100 98 3.6-6.9 7498/6.3=57, 4195/3.5=39...(14) H GLU 95 + HD2 LYS 94 OK 68 68 100 100 4.2-5.4 7531/3.5=96, 7530/3.5=93...(16) H ILE 93 + HD2 LYS 94 OK 65 68 100 96 4.1-7.2 7498/6.3=57, 4195/3.5=39...(12) Violated in 0 structures by 0.00 A. Peak 4253 from cnoeabs.peaks (3.87, 2.92, 41.80 ppm; 6.14 A): 9 out of 35 assignments used, quality = 1.00: * HA LYS 94 + HE2 LYS 94 OK 100 100 100 100 4.1-6.5 6.0=100 HA LYS 94 + HE3 LYS 94 OK 98 98 100 100 4.3-6.4 6.0=100 HA ARG 91 + HE2 LYS 94 OK 85 90 100 95 1.9-7.0 4186/4.8=32, 4242/3.0=25...(30) HA ARG 91 + HE3 LYS 94 OK 81 85 100 95 2.0-6.5 4186/4.8=32, 4242/3.0=25...(29) HA ALA 67 + HE3 LYS 66 OK 79 81 100 98 4.8-6.6 ~2951=53, ~7090=51...(14) HA GLU 35 + HE3 LYS 66 OK 68 72 100 95 2.8-7.5 3.0/10530=25, ~12288=20...(26) HA ALA 67 + HE2 LYS 66 OK 55 67 85 98 4.8-7.8 ~2951=53, ~7090=51...(14) HA GLU 35 + HE2 LYS 66 OK 53 58 95 95 3.3-8.2 3.0/10530=22, ~10530=20...(26) HA ARG 91 + HE3 LYS 90 OK 42 76 55 99 4.5-8.4 ~7437=69, ~3978=59...(20) HA ALA 22 - HE2 LYS 94 far 9 59 15 - 6.2-10.1 HA ALA 71 - HE3 LYS 73 far 6 57 10 - 7.1-9.5 HA ALA 89 - HE3 LYS 90 far 6 55 10 - 7.4-9.0 HB2 SER 85 - HE3 LYS 90 lone 4 52 65 11 5.9-9.4 9871/3.0=5, 9845/6390=2...(4) HA ALA 22 - HE3 LYS 94 far 0 56 0 - 7.7-10.4 HA ALA 67 - HE3 LYS 68 far 0 92 0 - 8.1-9.8 HA LEU 38 - HE3 LYS 66 far 0 83 0 - 8.2-12.3 HA LEU 38 - HE2 LYS 66 far 0 69 0 - 8.3-13.2 HA ALA 67 - HE2 LYS 68 far 0 94 0 - 8.3-10.1 HA ALA 67 - HE3 LYS 73 far 0 64 0 - 8.3-10.6 HA LYS 12 - HE3 LYS 20 far 0 97 0 - 8.4-12.5 HA GLU 35 - HE3 LYS 73 far 0 56 0 - 8.4-11.8 HA ALA 89 - HE2 LYS 94 far 0 68 0 - 8.5-11.9 HA ALA 89 - HE3 LYS 94 far 0 63 0 - 8.6-12.2 HA ALA 71 - HE3 LYS 66 far 0 73 0 - 8.7-11.8 HA ALA 22 - HE3 LYS 20 far 0 57 0 - 8.7-10.7 HA ALA 71 - HE3 LYS 68 far 0 84 0 - 8.7-11.1 HA ALA 22 - HE2 LYS 20 far 0 56 0 - 8.9-10.6 HA ALA 71 - HE2 LYS 66 far 0 60 0 - 9.2-13.3 HA ALA 71 - HE2 LYS 68 far 0 87 0 - 9.3-11.7 HA LYS 94 - HE3 LYS 90 far 0 90 0 - 9.4-12.2 HA GLU 43 - HE3 LYS 73 far 0 60 0 - 9.6-14.1 HA LYS 12 - HE3 LYS 90 far 0 87 0 - 9.6-14.4 HA LYS 12 - HE2 LYS 20 far 0 96 0 - 9.8-12.9 HB2 SER 102 - HE3 LYS 68 far 0 73 0 - 9.9-19.9 HA LYS 40 - HE3 LYS 73 far 0 68 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 4254 from cnoeabs.peaks (1.92, 2.92, 41.80 ppm; 3.78 A): 11 out of 50 assignments used, quality = 1.00: HB2 LYS 94 + HE3 LYS 94 OK 97 98 100 99 3.7-5.3 4.8=49, 1.8/4206=29...(35) HB3 LYS 20 + HE3 LYS 20 OK 96 96 100 99 2.2-4.9 4.7=51, 871/6314=19...(82) HB3 LYS 20 + HE2 LYS 20 OK 95 96 100 99 2.4-3.7 4.7=51, 871/6314=19...(82) * HB2 LYS 94 + HE2 LYS 94 OK 89 100 90 99 3.7-5.4 4.8=49, 1.8/4206=28...(36) HB2 LYS 20 + HE3 LYS 20 OK 68 69 100 99 1.9-3.6 4.7=51, 4.0/6314=17...(88) HB2 LYS 20 + HE2 LYS 20 OK 68 68 100 99 1.9-3.5 4.7=51, 4.0/6314=17...(88) HB2 GLU 17 + HE3 LYS 90 OK 63 80 95 84 2.1-6.1 12027/3.8=31, ~10433=13...(22) HB3 LYS 73 + HE3 LYS 73 OK 40 40 100 100 2.5-4.5 4.9=46, 4.1/7212=10...(121) HB2 LYS 73 + HE3 LYS 73 OK 39 39 100 100 2.2-4.7 4.9=46, 4.1/7212=10...(121) HB3 ARG 19 + HE3 LYS 20 OK 26 98 55 48 2.3-8.5 4.1/6314=17, 798/6.3=10...(10) HB3 ARG 19 + HE2 LYS 20 OK 25 98 55 47 2.7-8.5 4.1/6314=17, 798/6.3=10...(10) HB2 ARG 19 - HE2 LYS 20 poor 16 74 55 39 3.6-7.8 4.1/6314=17, 788/6.3=5...(9) HB2 ARG 19 - HE3 LYS 20 poor 15 74 50 40 2.6-8.0 4.1/6314=17, 788/6.3=5...(9) HB2 GLU 17 - HE3 LYS 20 far 5 91 5 - 4.1-7.9 HB2 GLU 17 - HE2 LYS 20 far 4 90 5 - 4.9-7.8 HB2 LYS 13 - HE3 LYS 90 far 0 89 0 - 5.7-10.6 HB3 LEU 14 - HE3 LYS 90 far 0 78 0 - 6.2-11.2 HB3 LYS 20 - HE3 LYS 90 far 0 86 0 - 7.0-10.5 HB3 LYS 13 - HE3 LYS 90 far 0 89 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.4-11.8 HB VAL 32 - HE3 LYS 66 far 0 75 0 - 7.7-11.8 HB2 LYS 13 - HE3 LYS 20 far 0 98 0 - 7.7-11.2 HB2 LYS 73 - HE3 LYS 66 far 0 51 0 - 7.8-11.3 HB2 LYS 20 - HE3 LYS 90 far 0 59 0 - 7.9-10.8 HG3 GLU 88 - HE3 LYS 90 far 0 77 0 - 7.9-10.7 HB3 LYS 20 - HE3 LYS 94 far 0 95 0 - 8.0-12.5 HB3 LYS 20 - HE2 LYS 94 far 0 98 0 - 8.1-12.6 HB2 GLU 17 - HE3 LYS 94 far 0 89 0 - 8.2-12.4 HB2 LYS 73 - HE2 LYS 66 far 0 40 0 - 8.2-12.7 HB VAL 32 - HE2 LYS 66 far 0 62 0 - 8.2-12.2 HB2 GLU 17 - HE2 LYS 94 far 0 93 0 - 8.2-11.7 HB2 ARG 19 - HE3 LYS 90 far 0 64 0 - 8.3-11.7 HB ILE 8 - HE2 LYS 66 far 0 51 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 63 0 - 8.8-11.5 HB3 LYS 73 - HE3 LYS 66 far 0 52 0 - 8.8-12.6 HB3 LYS 13 - HE3 LYS 20 far 0 98 0 - 8.9-11.9 HB3 LYS 73 - HE2 LYS 66 far 0 42 0 - 9.0-14.0 HB2 LYS 13 - HE2 LYS 20 far 0 98 0 - 9.2-10.9 HB3 ARG 19 - HE3 LYS 90 far 0 89 0 - 9.2-12.9 HB3 LEU 14 - HE3 LYS 20 far 0 89 0 - 9.2-12.8 HB3 LYS 33 - HE3 LYS 66 far 0 83 0 - 9.2-13.7 HB3 LYS 33 - HE2 LYS 66 far 0 69 0 - 9.3-13.7 HG LEU 42 - HE3 LYS 66 far 0 65 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 53 0 - 9.4-14.1 HB2 LYS 20 - HE3 LYS 94 far 0 67 0 - 9.7-13.6 HB2 LYS 33 - HE2 LYS 66 far 0 70 0 - 9.7-14.5 HB VAL 54 - HE3 LYS 68 far 0 57 0 - 9.7-13.5 HB2 LYS 20 - HE2 LYS 94 far 0 71 0 - 9.8-13.4 HB2 LYS 33 - HE3 LYS 66 far 0 84 0 - 10.0-14.3 HG LEU 42 - HE3 LYS 73 far 0 50 0 - 10.0-13.7 Violated in 0 structures by 0.00 A. Peak 4255 from cnoeabs.peaks (2.02, 2.92, 41.80 ppm; 4.29 A): 5 out of 31 assignments used, quality = 1.00: * HB3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 3.8-5.0 4.8=72, 4206/1.8=35...(56) HB3 LYS 94 + HE3 LYS 94 OK 98 98 100 100 3.7-5.1 4.8=72, 4206/1.8=34...(57) HB3 GLU 17 + HE3 LYS 90 OK 77 83 100 93 1.9-5.7 12029/3.8=31...(28) HB2 GLU 35 + HE2 LYS 66 OK 51 64 90 88 2.1-6.7 12029/2.9=17, ~12289=15...(26) HB2 GLU 35 + HE3 LYS 66 OK 48 78 70 88 2.0-6.5 12029/2.9=17...(26) HB2 MET 21 - HE2 LYS 94 poor 16 81 20 - 5.2-7.6 HB3 GLU 17 - HE2 LYS 20 far 14 93 15 - 4.2-7.8 HB2 MET 21 - HE3 LYS 94 far 8 76 10 - 5.5-7.6 QE MET 74 - HE3 LYS 73 far 6 56 10 - 4.4-8.3 HB3 GLU 17 - HE3 LYS 20 far 5 93 5 - 4.8-7.7 HB2 MET 21 - HE2 LYS 20 far 0 77 0 - 5.8-8.9 HB2 MET 21 - HE3 LYS 90 far 0 67 0 - 5.8-8.4 HB2 GLU 62 - HE2 LYS 66 far 0 69 0 - 5.9-9.7 HB2 GLU 62 - HE3 LYS 66 far 0 83 0 - 6.4-9.4 QE MET 74 - HE3 LYS 66 far 0 72 0 - 6.5-10.6 HB2 MET 21 - HE3 LYS 20 far 0 78 0 - 6.8-8.9 QE MET 74 - HE2 LYS 66 far 0 58 0 - 7.0-11.6 HB3 GLU 17 - HE2 LYS 94 far 0 96 0 - 7.6-11.1 HB2 GLU 98 - HE3 LYS 94 far 0 85 0 - 7.7-11.0 HB2 GLU 98 - HE2 LYS 94 far 0 90 0 - 7.8-10.7 HB3 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.9-12.4 HG12 ILE 93 - HE3 LYS 94 far 0 93 0 - 8.1-10.3 HG12 ILE 93 - HE2 LYS 94 far 0 96 0 - 8.1-10.2 HB3 GLU 98 - HE3 LYS 94 far 0 87 0 - 8.1-11.7 HB3 GLU 17 - HE3 LYS 94 far 0 92 0 - 8.2-12.2 HB2 GLU 35 - HE3 LYS 73 far 0 62 0 - 8.4-11.4 HB3 GLU 98 - HE2 LYS 94 far 0 91 0 - 8.5-12.0 HG12 ILE 93 - HE3 LYS 90 far 0 84 0 - 8.7-11.1 HG12 ILE 93 - HE3 LYS 20 far 0 94 0 - 9.3-12.4 QE MET 74 - HE2 LYS 68 far 0 86 0 - 9.8-13.3 HG12 ILE 93 - HE2 LYS 20 far 0 94 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 4256 from cnoeabs.peaks (1.34, 2.92, 41.80 ppm; 3.59 A): 4 out of 40 assignments used, quality = 1.00: * HG2 LYS 94 + HE2 LYS 94 OK 99 100 100 99 2.1-4.0 3.9=79, 2.9/4206=20...(47) HG2 LYS 94 + HE3 LYS 94 OK 97 98 100 99 2.0-3.8 3.9=79, 2.9/4206=20...(48) HG3 LYS 68 + HE2 LYS 68 OK 94 95 100 99 2.0-4.2 3.6=99 HG3 LYS 68 + HE3 LYS 68 OK 92 93 100 99 2.0-4.0 3.6=99 QB ALA 89 - HE3 LYS 90 poor 14 90 40 40 4.4-7.0 3910/7424=15...(8) QB ALA 25 - HE2 LYS 94 poor 11 100 25 45 2.8-7.7 10334/6.0=12...(9) QB ALA 25 - HE3 LYS 94 far 10 98 10 - 4.1-8.3 HG2 LYS 39 - HE3 LYS 73 far 3 67 5 - 4.1-11.4 HB2 LEU 70 - HE3 LYS 66 far 3 59 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 0 47 0 - 5.1-9.9 HG LEU 14 - HE3 LYS 90 far 0 87 0 - 5.2-9.4 QB ALA 67 - HE3 LYS 66 far 0 85 0 - 5.4-6.6 QB ALA 67 - HE2 LYS 66 far 0 71 0 - 5.5-7.4 HB2 LEU 70 - HE3 LYS 73 far 0 45 0 - 6.1-8.4 QB ALA 67 - HE3 LYS 68 far 0 96 0 - 6.6-7.7 QB ALA 67 - HE2 LYS 68 far 0 97 0 - 6.7-8.0 HB2 LYS 82 - HE2 LYS 68 far 0 97 0 - 7.1-10.4 HG2 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.2-12.6 HB2 LYS 82 - HE3 LYS 68 far 0 95 0 - 7.4-10.5 HG2 LYS 39 - HE2 LYS 66 far 0 70 0 - 7.5-11.7 QB ALA 89 - HE2 LYS 94 far 0 100 0 - 7.7-10.4 HG3 LYS 68 - HE3 LYS 66 far 0 82 0 - 7.7-11.3 HG2 LYS 39 - HE3 LYS 66 far 0 84 0 - 7.8-11.9 QB ALA 89 - HE3 LYS 20 far 0 99 0 - 7.9-10.3 QB ALA 89 - HE3 LYS 94 far 0 98 0 - 8.2-10.8 HG LEU 14 - HE3 LYS 20 far 0 97 0 - 8.2-11.6 QB ALA 89 - HE2 LYS 20 far 0 99 0 - 8.4-9.9 QB ALA 25 - HE2 LYS 20 far 0 99 0 - 8.8-10.1 HG3 LYS 68 - HE3 LYS 73 far 0 65 0 - 8.8-12.3 QB ALA 67 - HE3 LYS 73 far 0 68 0 - 8.9-10.7 QB ALA 25 - HE3 LYS 20 far 0 99 0 - 8.9-10.4 HG3 LYS 68 - HE2 LYS 66 far 0 68 0 - 8.9-11.6 HB2 LEU 70 - HE3 LYS 68 far 0 70 0 - 9.0-10.9 QB ALA 25 - HE3 LYS 90 far 0 90 0 - 9.1-11.4 HG LEU 14 - HE2 LYS 20 far 0 96 0 - 9.1-11.2 HG12 ILE 8 - HE2 LYS 66 far 0 55 0 - 9.1-13.2 HB3 LEU 42 - HE3 LYS 73 far 0 37 0 - 9.3-13.4 HG12 ILE 8 - HE3 LYS 66 far 0 68 0 - 9.4-12.2 HB2 LEU 70 - HE2 LYS 68 far 0 72 0 - 9.5-11.3 HB3 LEU 27 - HE2 LYS 94 far 0 100 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 4257 from cnoeabs.peaks (1.38, 2.92, 41.80 ppm; 3.68 A): 4 out of 29 assignments used, quality = 1.00: * HG3 LYS 94 + HE2 LYS 94 OK 99 100 100 99 2.3-3.9 3.9=85, 4235/3.0=22...(47) HG3 LYS 94 + HE3 LYS 94 OK 98 98 100 99 2.0-3.9 3.9=85, 4235/3.0=22...(49) HG3 LYS 68 + HE2 LYS 68 OK 68 68 100 100 2.0-4.2 3.6=100 HG3 LYS 68 + HE3 LYS 68 OK 66 66 100 100 2.0-4.0 3.6=100 HB2 LEU 70 - HE3 LYS 66 far 4 81 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 3 67 5 - 5.1-9.9 HG2 LYS 39 - HE3 LYS 73 far 2 37 5 - 4.1-11.4 HG LEU 14 - HE3 LYS 90 far 0 62 0 - 5.2-9.4 QB ALA 71 - HE3 LYS 68 far 0 70 0 - 5.4-7.5 QB ALA 71 - HE2 LYS 68 far 0 72 0 - 5.9-8.0 HB2 LEU 70 - HE3 LYS 73 far 0 64 0 - 6.1-8.4 HB2 LYS 82 - HE2 LYS 68 far 0 57 0 - 7.1-10.4 HG3 LYS 94 - HE3 LYS 90 far 0 90 0 - 7.1-11.2 HB2 LYS 82 - HE3 LYS 68 far 0 55 0 - 7.4-10.5 QB ALA 71 - HE3 LYS 73 far 0 45 0 - 7.4-8.6 QB ALA 71 - HE3 LYS 66 far 0 59 0 - 7.5-9.7 HG2 LYS 39 - HE2 LYS 66 far 0 39 0 - 7.5-11.7 HG3 LYS 68 - HE3 LYS 66 far 0 56 0 - 7.7-11.3 HG2 LYS 39 - HE3 LYS 66 far 0 49 0 - 7.8-11.9 QB ALA 71 - HE2 LYS 66 far 0 47 0 - 7.8-10.7 HG LEU 14 - HE3 LYS 20 far 0 73 0 - 8.2-11.6 HG3 LYS 68 - HE3 LYS 73 far 0 43 0 - 8.8-12.3 HG3 LYS 68 - HE2 LYS 66 far 0 45 0 - 8.9-11.6 HB2 LEU 70 - HE3 LYS 68 far 0 92 0 - 9.0-10.9 HG LEU 14 - HE2 LYS 20 far 0 72 0 - 9.1-11.2 HG12 ILE 8 - HE2 LYS 66 far 0 62 0 - 9.1-13.2 HG12 ILE 8 - HE3 LYS 66 far 0 75 0 - 9.4-12.2 HB2 LEU 70 - HE2 LYS 68 far 0 94 0 - 9.5-11.3 HB3 LEU 27 - HE2 LYS 94 far 0 63 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 4258 from cnoeabs.peaks (1.62, 2.92, 41.80 ppm; 2.75 A): 13 out of 59 assignments used, quality = 1.00: * HD2 LYS 94 + HE2 LYS 94 OK 94 100 100 94 2.2-3.0 3.0=81, 3.5/4206=10...(33) HD2 LYS 94 + HE3 LYS 94 OK 93 98 100 94 2.2-3.0 3.0=81, 3.5/4206=10...(33) HG2 LYS 68 + HE2 LYS 68 OK 82 89 100 92 2.0-4.2 3.6=44, 1.8/4256=10...(61) HG2 LYS 68 + HE3 LYS 68 OK 80 87 100 92 2.0-4.0 3.6=44, 1.8/4267=9...(62) HD3 LYS 94 + HE2 LYS 94 OK 79 84 100 95 2.2-3.0 3.0=81, 3.5/4206=10...(37) HD3 LYS 94 + HE3 LYS 94 OK 75 80 100 95 2.4-3.0 3.0=81, 3.5/4206=10...(37) HD3 LYS 68 + HE2 LYS 68 OK 73 77 100 95 2.2-3.0 3.0=78, 3.0/4256=7...(60) HD2 LYS 68 + HE2 LYS 68 OK 72 75 100 95 2.3-3.0 3.0=78, 3.0/4256=7...(59) HD3 LYS 68 + HE3 LYS 68 OK 71 75 100 95 2.2-3.0 3.0=78, 3.0/4267=7...(60) HD2 LYS 68 + HE3 LYS 68 OK 69 73 100 95 2.6-3.0 3.0=78, 3.0/4267=7...(59) HD2 LYS 66 + HE3 LYS 66 OK 65 69 100 94 2.5-3.0 2.9=82, 2925/3.6=14...(20) HD2 LYS 66 + HE2 LYS 66 OK 53 56 100 94 2.4-3.0 2.9=82, 2925/3.6=14...(20) HG3 LYS 73 + HE3 LYS 73 OK 45 50 100 89 2.0-3.2 4.0=32, 3298/3.0=12...(59) HG2 LYS 24 - HE2 LYS 94 far 9 61 15 - 3.1-11.5 HD3 LYS 39 - HE3 LYS 73 far 3 60 5 - 4.1-10.1 HG2 ARG 19 - HE3 LYS 20 far 3 57 5 - 3.9-9.2 HD2 LYS 39 - HE3 LYS 73 far 2 45 5 - 4.0-10.8 HG2 LYS 24 - HE3 LYS 94 far 0 58 0 - 4.4-11.1 HB2 ARG 79 - HE3 LYS 68 far 0 79 0 - 4.8-11.3 HD3 LYS 94 - HE3 LYS 90 far 0 70 0 - 5.0-10.8 HG2 ARG 19 - HE2 LYS 20 far 0 56 0 - 5.5-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 90 0 - 5.5-11.9 HB3 ARG 79 - HE3 LYS 68 far 0 70 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 72 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 75 0 - 6.0-11.4 HB2 ARG 79 - HE2 LYS 68 far 0 82 0 - 6.0-11.8 HD3 LYS 39 - HE3 LYS 66 far 0 76 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 47 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 59 0 - 6.5-11.3 HB2 LEU 103 - HE3 LYS 68 far 0 53 0 - 6.5-19.0 HB3 LEU 29 - HE3 LYS 20 far 0 78 0 - 6.6-10.9 HG2 LYS 24 - HE3 LYS 20 far 0 59 0 - 6.6-11.6 HG2 LYS 24 - HE2 LYS 20 far 0 58 0 - 6.6-10.5 HB2 LEU 103 - HE2 LYS 68 far 0 55 0 - 6.7-17.6 HG3 LYS 73 - HE3 LYS 66 far 0 65 0 - 7.0-12.3 HG LEU 27 - HE2 LYS 94 far 0 84 0 - 7.1-12.1 HG2 LYS 68 - HE2 LYS 66 far 0 62 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 62 0 - 7.3-12.3 HG3 LYS 73 - HE2 LYS 66 far 0 53 0 - 7.3-13.9 HD3 LYS 68 - HE3 LYS 66 far 0 63 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 63 0 - 7.6-11.5 HB3 LEU 29 - HE2 LYS 20 far 0 77 0 - 7.9-11.5 HD2 LYS 66 - HE3 LYS 73 far 0 54 0 - 8.3-12.7 HG2 LYS 68 - HE3 LYS 73 far 0 59 0 - 8.4-12.7 HD2 LYS 68 - HE2 LYS 66 far 0 50 0 - 8.4-12.3 HG2 ARG 19 - HE3 LYS 90 far 0 48 0 - 8.4-14.0 HG LEU 27 - HE3 LYS 94 far 0 80 0 - 8.4-12.5 HD3 LYS 68 - HE2 LYS 66 far 0 51 0 - 8.7-13.2 HG3 LYS 12 - HE3 LYS 20 far 0 74 0 - 9.2-14.9 HG2 LYS 24 - HE3 LYS 90 far 0 50 0 - 9.2-14.0 HG3 LYS 73 - HE2 LYS 68 far 0 78 0 - 9.2-13.2 HD3 LYS 94 - HE2 LYS 20 far 0 80 0 - 9.4-13.1 HD2 LYS 66 - HE3 LYS 68 far 0 81 0 - 9.5-12.9 HG3 LYS 73 - HE3 LYS 68 far 0 76 0 - 9.5-13.1 HD2 LYS 66 - HE2 LYS 68 far 0 83 0 - 9.5-13.5 HD2 LYS 94 - HE2 LYS 20 far 0 99 0 - 9.6-13.2 HD2 LYS 68 - HE3 LYS 73 far 0 48 0 - 9.7-12.7 HG3 LYS 12 - HE2 LYS 20 far 0 74 0 - 9.9-15.3 HB2 LEU 103 - HE2 LYS 94 far 0 59 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 4259 from cnoeabs.peaks (1.60, 2.92, 41.80 ppm; 2.93 A): 8 out of 46 assignments used, quality = 1.00: * HD3 LYS 94 + HE2 LYS 94 OK 100 100 100 100 2.2-3.0 3.0=98, 3.5/4206=11...(38) HD3 LYS 94 + HE3 LYS 94 OK 98 98 100 100 2.4-3.0 3.0=98, 3.5/4206=11...(37) HD2 LYS 66 + HE3 LYS 66 OK 85 85 100 100 2.5-3.0 2.9=100 HD2 LYS 94 + HE2 LYS 94 OK 83 84 100 99 2.2-3.0 3.0=98, 3.5/4206=11...(32) HD2 LYS 94 + HE3 LYS 94 OK 79 80 100 99 2.2-3.0 3.0=98, 3.5/4206=11...(32) HG3 LYS 90 + HE3 LYS 90 OK 74 85 100 88 2.0-3.1 3.8=47, 1.8/4005=37...(16) HD2 LYS 66 + HE2 LYS 66 OK 70 71 100 100 2.4-3.0 2.9=100 HG3 LYS 73 + HE3 LYS 73 OK 64 68 100 94 2.0-3.2 4.0=39, 3298/3.0=19...(69) HG2 LYS 24 - HE2 LYS 94 far 15 98 15 - 3.1-11.5 HG2 ARG 19 - HE3 LYS 20 far 5 96 5 - 3.9-9.2 HG3 LYS 90 - HE3 LYS 94 far 5 94 5 - 4.2-9.3 HG2 LYS 24 - HE3 LYS 94 far 0 95 0 - 4.4-11.1 HG LEU 103 - HE2 LYS 68 far 0 91 0 - 4.7-19.2 HB2 ARG 79 - HE3 LYS 68 far 0 96 0 - 4.8-11.3 HG LEU 103 - HE3 LYS 68 far 0 89 0 - 4.9-21.0 HD3 LYS 94 - HE3 LYS 90 far 0 90 0 - 5.0-10.8 HG3 LYS 90 - HE2 LYS 20 far 0 94 0 - 5.1-10.0 HG3 LYS 90 - HE2 LYS 94 far 0 97 0 - 5.3-8.9 HG2 ARG 19 - HE2 LYS 20 far 0 95 0 - 5.5-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 70 0 - 5.5-11.9 HB2 ARG 79 - HE2 LYS 68 far 0 97 0 - 6.0-11.8 HB2 LEU 103 - HE3 LYS 68 far 0 91 0 - 6.5-19.0 HB3 LEU 29 - HE3 LYS 20 far 0 99 0 - 6.6-10.9 HG2 LYS 24 - HE3 LYS 20 far 0 96 0 - 6.6-11.6 HG2 LYS 24 - HE2 LYS 20 far 0 96 0 - 6.6-10.5 HG3 LYS 90 - HE3 LYS 20 far 0 95 0 - 6.7-10.5 HB2 LEU 103 - HE2 LYS 68 far 0 93 0 - 6.7-17.6 HG3 LYS 73 - HE3 LYS 66 far 0 85 0 - 7.0-12.3 HG LEU 27 - HE2 LYS 94 far 0 100 0 - 7.1-12.1 HG3 LYS 73 - HE2 LYS 66 far 0 71 0 - 7.3-13.9 HB3 LEU 29 - HE2 LYS 20 far 0 99 0 - 7.9-11.5 HD2 LYS 66 - HE3 LYS 73 far 0 68 0 - 8.3-12.7 HG2 ARG 19 - HE3 LYS 90 far 0 85 0 - 8.4-14.0 HG LEU 27 - HE3 LYS 94 far 0 98 0 - 8.4-12.5 HD3 LYS 82 - HE2 LYS 68 far 0 68 0 - 9.2-13.1 HG3 LYS 12 - HE3 LYS 20 far 0 99 0 - 9.2-14.9 HG2 LYS 24 - HE3 LYS 90 far 0 86 0 - 9.2-14.0 HG3 LYS 73 - HE2 LYS 68 far 0 97 0 - 9.2-13.2 HD3 LYS 82 - HE3 LYS 68 far 0 66 0 - 9.3-13.0 HD3 LYS 94 - HE2 LYS 20 far 0 99 0 - 9.4-13.1 HD2 LYS 66 - HE3 LYS 68 far 0 95 0 - 9.5-12.9 HG3 LYS 73 - HE3 LYS 68 far 0 96 0 - 9.5-13.1 HD2 LYS 66 - HE2 LYS 68 far 0 97 0 - 9.5-13.5 HD2 LYS 94 - HE2 LYS 20 far 0 80 0 - 9.6-13.2 HG3 LYS 12 - HE2 LYS 20 far 0 98 0 - 9.9-15.3 HB2 LEU 103 - HE2 LYS 94 far 0 98 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 4260 from cnoeabs.peaks (2.92, 2.92, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 98 98 - 100 HE2 LYS 20 + HE2 LYS 20 OK 97 97 - 100 HE3 LYS 94 + HE3 LYS 94 OK 96 96 - 100 HE2 LYS 68 + HE2 LYS 68 OK 95 95 - 100 HE3 LYS 68 + HE3 LYS 68 OK 92 92 - 100 HE3 LYS 90 + HE3 LYS 90 OK 83 83 - 100 HE3 LYS 66 + HE3 LYS 66 OK 74 74 - 100 HE2 LYS 66 + HE2 LYS 66 OK 54 54 - 100 HE3 LYS 73 + HE3 LYS 73 OK 50 50 - 100 Peak 4261 from cnoeabs.peaks (2.91, 2.92, 41.80 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE2 LYS 94 + HE2 LYS 94 OK 99 99 - 100 HE3 LYS 20 + HE3 LYS 20 OK 99 99 - 100 HE2 LYS 20 + HE2 LYS 20 OK 99 99 - 100 HE3 LYS 94 + HE3 LYS 94 OK 98 98 - 100 HE2 LYS 68 + HE2 LYS 68 OK 97 97 - 100 HE3 LYS 68 + HE3 LYS 68 OK 95 95 - 100 HE3 LYS 66 + HE3 LYS 66 OK 82 82 - 100 HE3 LYS 90 + HE3 LYS 90 OK 72 72 - 100 HE2 LYS 66 + HE2 LYS 66 OK 63 63 - 100 HE3 LYS 73 + HE3 LYS 73 OK 39 39 - 100 Reference assignment not found: HE3 LYS 94 - HE2 LYS 94 Peak 4264 from cnoeabs.peaks (3.87, 2.91, 41.80 ppm; 6.14 A): 9 out of 30 assignments used, quality = 1.00: * HA LYS 94 + HE3 LYS 94 OK 100 100 100 100 4.3-6.4 6.0=100 HA LYS 94 + HE2 LYS 94 OK 98 98 100 100 4.1-6.5 6.0=100 HA ALA 67 + HE3 LYS 66 OK 92 94 100 98 4.8-6.6 ~2951=53, ~7090=51...(14) HA ARG 91 + HE3 LYS 94 OK 85 90 100 95 2.0-6.5 4186/4.8=32, 4242/3.0=25...(29) HA GLU 35 + HE3 LYS 66 OK 82 86 100 96 2.8-7.5 3.0/10530=26, ~12288=20...(26) HA ARG 91 + HE2 LYS 94 OK 81 85 100 95 1.9-7.0 4186/4.8=32, 4242/3.0=25...(30) HA ALA 67 + HE2 LYS 66 OK 72 86 85 98 4.8-7.8 ~2951=53, ~7090=51...(14) HA GLU 35 + HE2 LYS 66 OK 70 77 95 95 3.3-8.2 3.0/10530=22, ~10530=20...(26) HA ARG 91 + HE3 LYS 90 OK 31 57 55 99 4.5-8.4 ~7437=69, ~3978=59...(20) HA ALA 22 - HE2 LYS 94 far 8 56 15 - 6.2-10.1 HA ALA 89 - HE3 LYS 90 far 4 40 10 - 7.4-9.0 HB2 SER 85 - HE3 LYS 90 lone 2 38 65 9 5.9-9.4 9871/3.0=5, 9871/12323=1 HA ALA 22 - HE3 LYS 94 far 0 59 0 - 7.7-10.4 HA ALA 67 - HE3 LYS 68 far 0 98 0 - 8.1-9.8 HA LEU 38 - HE3 LYS 66 far 0 96 0 - 8.2-12.3 HA LEU 38 - HE2 LYS 66 far 0 89 0 - 8.3-13.2 HA ALA 67 - HE2 LYS 68 far 0 98 0 - 8.3-10.1 HA LYS 12 - HE3 LYS 20 far 0 98 0 - 8.4-12.5 HA ALA 89 - HE2 LYS 94 far 0 63 0 - 8.5-11.9 HA ALA 89 - HE3 LYS 94 far 0 68 0 - 8.6-12.2 HA ALA 71 - HE3 LYS 66 far 0 87 0 - 8.7-11.8 HA ALA 22 - HE3 LYS 20 far 0 59 0 - 8.7-10.7 HA ALA 71 - HE3 LYS 68 far 0 91 0 - 8.7-11.1 HA ALA 22 - HE2 LYS 20 far 0 59 0 - 8.9-10.6 HA ALA 71 - HE2 LYS 66 far 0 78 0 - 9.2-13.3 HA ALA 71 - HE2 LYS 68 far 0 92 0 - 9.3-11.7 HA LYS 94 - HE3 LYS 90 far 0 71 0 - 9.4-12.2 HA LYS 12 - HE3 LYS 90 far 0 67 0 - 9.6-14.4 HA LYS 12 - HE2 LYS 20 far 0 98 0 - 9.8-12.9 HB2 SER 102 - HE3 LYS 68 far 0 80 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 4265 from cnoeabs.peaks (1.92, 2.91, 41.80 ppm; 3.78 A): 9 out of 47 assignments used, quality = 1.00: * HB2 LYS 94 + HE3 LYS 94 OK 99 100 100 99 3.7-5.3 4.8=49, 1.8/4206=29...(35) HB3 LYS 20 + HE2 LYS 20 OK 97 98 100 99 2.4-3.7 4.7=51, 871/6313=19...(82) HB3 LYS 20 + HE3 LYS 20 OK 97 98 100 99 2.2-4.9 4.7=51, 871/6313=19...(82) HB2 LYS 94 + HE2 LYS 94 OK 87 98 90 99 3.7-5.4 4.8=49, 1.8/4206=29...(36) HB2 LYS 20 + HE2 LYS 20 OK 71 71 100 99 1.9-3.5 4.7=51, 4.0/6313=17...(88) HB2 LYS 20 + HE3 LYS 20 OK 71 71 100 99 1.9-3.6 4.7=51, 4.0/6313=17...(88) HB2 GLU 17 + HE3 LYS 90 OK 47 61 95 82 2.1-6.1 12027/3.8=31, ~10433=13...(22) HB3 ARG 19 + HE3 LYS 20 OK 26 100 55 48 2.3-8.5 4.1/6313=17, 798/6.3=10...(10) HB3 ARG 19 + HE2 LYS 20 OK 26 100 55 47 2.7-8.5 4.1/6313=17, 798/6.3=10...(10) HB2 ARG 19 - HE2 LYS 20 poor 17 77 55 39 3.6-7.8 4.1/6313=17, 788/6.3=5...(9) HB2 ARG 19 - HE3 LYS 20 poor 15 77 50 40 2.6-8.0 4.1/6313=17, 788/6.3=5...(9) HB2 GLU 17 - HE3 LYS 20 far 5 93 5 - 4.1-7.9 HB2 GLU 17 - HE2 LYS 20 far 5 93 5 - 4.9-7.8 HB2 LYS 13 - HE3 LYS 90 far 0 70 0 - 5.7-10.6 HB3 LEU 14 - HE3 LYS 90 far 0 60 0 - 6.2-11.2 HB3 LYS 20 - HE3 LYS 90 far 0 67 0 - 7.0-10.5 HB3 LYS 13 - HE3 LYS 90 far 0 69 0 - 7.4-12.2 HB2 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.4-11.8 HB VAL 32 - HE3 LYS 66 far 0 89 0 - 7.7-11.8 HB2 LYS 13 - HE3 LYS 20 far 0 100 0 - 7.7-11.2 HB2 LYS 73 - HE3 LYS 66 far 0 63 0 - 7.8-11.3 HB2 LYS 20 - HE3 LYS 90 far 0 43 0 - 7.9-10.8 HG3 GLU 88 - HE3 LYS 90 far 0 58 0 - 7.9-10.7 HB3 LYS 20 - HE3 LYS 94 far 0 98 0 - 8.0-12.5 HB3 LYS 20 - HE2 LYS 94 far 0 95 0 - 8.1-12.6 HB2 GLU 17 - HE3 LYS 94 far 0 93 0 - 8.2-12.4 HB2 LYS 73 - HE2 LYS 66 far 0 55 0 - 8.2-12.7 HB VAL 32 - HE2 LYS 66 far 0 81 0 - 8.2-12.2 HB2 GLU 17 - HE2 LYS 94 far 0 89 0 - 8.2-11.7 HB2 ARG 19 - HE3 LYS 90 far 0 47 0 - 8.3-11.7 HB ILE 8 - HE2 LYS 66 far 0 69 0 - 8.7-12.4 HB ILE 8 - HE3 LYS 66 far 0 77 0 - 8.8-11.5 HB3 LYS 73 - HE3 LYS 66 far 0 64 0 - 8.8-12.6 HB3 LYS 13 - HE3 LYS 20 far 0 99 0 - 8.9-11.9 HB3 LYS 73 - HE2 LYS 66 far 0 57 0 - 9.0-14.0 HB2 LYS 13 - HE2 LYS 20 far 0 100 0 - 9.2-10.9 HB3 ARG 19 - HE3 LYS 90 far 0 69 0 - 9.2-12.9 HB3 LEU 14 - HE3 LYS 20 far 0 92 0 - 9.2-12.8 HB3 LYS 33 - HE3 LYS 66 far 0 96 0 - 9.2-13.7 HB3 LYS 33 - HE2 LYS 66 far 0 89 0 - 9.3-13.7 HG LEU 42 - HE3 LYS 66 far 0 78 0 - 9.3-12.9 HG LEU 42 - HE2 LYS 66 far 0 70 0 - 9.4-14.1 HB2 LYS 20 - HE3 LYS 94 far 0 71 0 - 9.7-13.6 HB2 LYS 33 - HE2 LYS 66 far 0 90 0 - 9.7-14.5 HB VAL 54 - HE3 LYS 68 far 0 63 0 - 9.7-13.5 HB2 LYS 20 - HE2 LYS 94 far 0 67 0 - 9.8-13.4 HB2 LYS 33 - HE3 LYS 66 far 0 97 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 4266 from cnoeabs.peaks (2.02, 2.91, 41.80 ppm; 4.29 A): 5 out of 29 assignments used, quality = 1.00: * HB3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 3.7-5.1 4.8=72, 4206/1.8=34...(57) HB3 LYS 94 + HE2 LYS 94 OK 98 98 100 100 3.8-5.0 4.8=72, 4206/1.8=35...(56) HB2 GLU 35 + HE2 LYS 66 OK 67 84 90 88 2.1-6.7 12029/2.9=17, ~12289=15...(26) HB3 GLU 17 + HE3 LYS 90 OK 58 63 100 92 1.9-5.7 12029/3.8=31...(28) HB2 GLU 35 + HE3 LYS 66 OK 57 92 70 88 2.0-6.5 1.8/10530=17...(26) HB2 MET 21 - HE2 LYS 94 poor 15 76 20 - 5.2-7.6 HB3 GLU 17 - HE2 LYS 20 far 14 96 15 - 4.2-7.8 HB2 MET 21 - HE3 LYS 94 far 8 81 10 - 5.5-7.6 HB3 GLU 17 - HE3 LYS 20 far 5 95 5 - 4.8-7.7 HB2 MET 21 - HE2 LYS 20 far 0 81 0 - 5.8-8.9 HB2 MET 21 - HE3 LYS 90 far 0 50 0 - 5.8-8.4 HB2 GLU 62 - HE2 LYS 66 far 0 89 0 - 5.9-9.7 HB2 GLU 62 - HE3 LYS 66 far 0 96 0 - 6.4-9.4 QE MET 74 - HE3 LYS 66 far 0 86 0 - 6.5-10.6 HB2 MET 21 - HE3 LYS 20 far 0 80 0 - 6.8-8.9 QE MET 74 - HE2 LYS 66 far 0 77 0 - 7.0-11.6 HB3 GLU 17 - HE2 LYS 94 far 0 92 0 - 7.6-11.1 HB2 GLU 98 - HE3 LYS 94 far 0 90 0 - 7.7-11.0 HB2 GLU 98 - HE2 LYS 94 far 0 85 0 - 7.8-10.7 HB3 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.9-12.4 HG12 ILE 93 - HE3 LYS 94 far 0 96 0 - 8.1-10.3 HG12 ILE 93 - HE2 LYS 94 far 0 93 0 - 8.1-10.2 HB3 GLU 98 - HE3 LYS 94 far 0 91 0 - 8.1-11.7 HB3 GLU 17 - HE3 LYS 94 far 0 96 0 - 8.2-12.2 HB3 GLU 98 - HE2 LYS 94 far 0 87 0 - 8.5-12.0 HG12 ILE 93 - HE3 LYS 90 far 0 64 0 - 8.7-11.1 HG12 ILE 93 - HE3 LYS 20 far 0 96 0 - 9.3-12.4 QE MET 74 - HE2 LYS 68 far 0 91 0 - 9.8-13.3 HG12 ILE 93 - HE2 LYS 20 far 0 96 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 4267 from cnoeabs.peaks (1.34, 2.91, 41.80 ppm; 3.59 A): 4 out of 35 assignments used, quality = 1.00: * HG2 LYS 94 + HE3 LYS 94 OK 99 100 100 99 2.0-3.8 3.9=79, 2.9/4206=21...(48) HG3 LYS 68 + HE2 LYS 68 OK 98 99 100 99 2.0-4.2 3.6=99 HG3 LYS 68 + HE3 LYS 68 OK 98 99 100 99 2.0-4.0 3.6=99 HG2 LYS 94 + HE2 LYS 94 OK 97 98 100 99 2.1-4.0 3.9=79, 2.9/4206=20...(47) QB ALA 25 - HE2 LYS 94 poor 11 98 25 44 2.8-7.7 10334/6.0=12...(9) QB ALA 89 - HE3 LYS 90 poor 11 71 40 38 4.4-7.0 3910/7.0=14, 1684/4.8=10...(8) QB ALA 25 - HE3 LYS 94 far 10 100 10 - 4.1-8.3 HB2 LEU 70 - HE3 LYS 66 far 4 72 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 0 64 0 - 5.1-9.9 HG LEU 14 - HE3 LYS 90 far 0 67 0 - 5.2-9.4 QB ALA 67 - HE3 LYS 66 far 0 97 0 - 5.4-6.6 QB ALA 67 - HE2 LYS 66 far 0 90 0 - 5.5-7.4 QB ALA 67 - HE3 LYS 68 far 0 100 0 - 6.6-7.7 QB ALA 67 - HE2 LYS 68 far 0 100 0 - 6.7-8.0 HB2 LYS 82 - HE2 LYS 68 far 0 100 0 - 7.1-10.4 HG2 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.2-12.6 HB2 LYS 82 - HE3 LYS 68 far 0 100 0 - 7.4-10.5 HG2 LYS 39 - HE2 LYS 66 far 0 89 0 - 7.5-11.7 QB ALA 89 - HE2 LYS 94 far 0 98 0 - 7.7-10.4 HG3 LYS 68 - HE3 LYS 66 far 0 95 0 - 7.7-11.3 HG2 LYS 39 - HE3 LYS 66 far 0 97 0 - 7.8-11.9 QB ALA 89 - HE3 LYS 20 far 0 100 0 - 7.9-10.3 QB ALA 89 - HE3 LYS 94 far 0 100 0 - 8.2-10.8 HG LEU 14 - HE3 LYS 20 far 0 98 0 - 8.2-11.6 QB ALA 89 - HE2 LYS 20 far 0 100 0 - 8.4-9.9 QB ALA 25 - HE2 LYS 20 far 0 100 0 - 8.8-10.1 QB ALA 25 - HE3 LYS 20 far 0 100 0 - 8.9-10.4 HG3 LYS 68 - HE2 LYS 66 far 0 87 0 - 8.9-11.6 HB2 LEU 70 - HE3 LYS 68 far 0 77 0 - 9.0-10.9 QB ALA 25 - HE3 LYS 90 far 0 71 0 - 9.1-11.4 HG LEU 14 - HE2 LYS 20 far 0 98 0 - 9.1-11.2 HG12 ILE 8 - HE2 LYS 66 far 0 73 0 - 9.1-13.2 HG12 ILE 8 - HE3 LYS 66 far 0 82 0 - 9.4-12.2 HB2 LEU 70 - HE2 LYS 68 far 0 77 0 - 9.5-11.3 HB3 LEU 27 - HE2 LYS 94 far 0 98 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 4268 from cnoeabs.peaks (1.38, 2.91, 41.80 ppm; 3.68 A): 4 out of 25 assignments used, quality = 1.00: * HG3 LYS 94 + HE3 LYS 94 OK 99 100 100 99 2.0-3.9 3.9=85, 4235/3.0=22...(49) HG3 LYS 94 + HE2 LYS 94 OK 98 98 100 99 2.3-3.9 3.9=85, 4235/3.0=22...(47) HG3 LYS 68 + HE2 LYS 68 OK 73 73 100 100 2.0-4.2 3.6=100 HG3 LYS 68 + HE3 LYS 68 OK 73 73 100 100 2.0-4.0 3.6=100 HB2 LEU 70 - HE3 LYS 66 far 5 94 5 - 4.6-8.5 HB2 LEU 70 - HE2 LYS 66 far 4 86 5 - 5.1-9.9 HG LEU 14 - HE3 LYS 90 far 0 46 0 - 5.2-9.4 QB ALA 71 - HE3 LYS 68 far 0 77 0 - 5.4-7.5 QB ALA 71 - HE2 LYS 68 far 0 77 0 - 5.9-8.0 HB2 LYS 82 - HE2 LYS 68 far 0 61 0 - 7.1-10.4 HG3 LYS 94 - HE3 LYS 90 far 0 71 0 - 7.1-11.2 HB2 LYS 82 - HE3 LYS 68 far 0 61 0 - 7.4-10.5 QB ALA 71 - HE3 LYS 66 far 0 72 0 - 7.5-9.7 HG2 LYS 39 - HE2 LYS 66 far 0 53 0 - 7.5-11.7 HG3 LYS 68 - HE3 LYS 66 far 0 68 0 - 7.7-11.3 HG2 LYS 39 - HE3 LYS 66 far 0 61 0 - 7.8-11.9 QB ALA 71 - HE2 LYS 66 far 0 64 0 - 7.8-10.7 HG LEU 14 - HE3 LYS 20 far 0 75 0 - 8.2-11.6 HG3 LYS 68 - HE2 LYS 66 far 0 60 0 - 8.9-11.6 HB2 LEU 70 - HE3 LYS 68 far 0 98 0 - 9.0-10.9 HG LEU 14 - HE2 LYS 20 far 0 75 0 - 9.1-11.2 HG12 ILE 8 - HE2 LYS 66 far 0 81 0 - 9.1-13.2 HG12 ILE 8 - HE3 LYS 66 far 0 89 0 - 9.4-12.2 HB2 LEU 70 - HE2 LYS 68 far 0 98 0 - 9.5-11.3 HB3 LEU 27 - HE2 LYS 94 far 0 60 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 4269 from cnoeabs.peaks (1.62, 2.91, 41.80 ppm; 2.75 A): 12 out of 53 assignments used, quality = 1.00: * HD2 LYS 94 + HE3 LYS 94 OK 94 100 100 94 2.2-3.0 3.0=81, 3.5/4206=10...(33) HD2 LYS 94 + HE2 LYS 94 OK 92 98 100 94 2.2-3.0 3.0=81, 3.5/4206=10...(32) HG2 LYS 68 + HE2 LYS 68 OK 86 94 100 92 2.0-4.2 3.6=44, 1.8/4267=10...(62) HG2 LYS 68 + HE3 LYS 68 OK 86 94 100 92 2.0-4.0 3.6=44, 1.8/4267=10...(62) HD3 LYS 94 + HE3 LYS 94 OK 79 84 100 95 2.4-3.0 3.0=81, 3.5/4206=10...(37) HD3 LYS 68 + HE2 LYS 68 OK 78 82 100 95 2.2-3.0 3.0=78, 3.0/4267=8...(60) HD3 LYS 68 + HE3 LYS 68 OK 78 82 100 96 2.2-3.0 3.0=78, 3.0/4267=7...(61) HD2 LYS 66 + HE3 LYS 66 OK 78 83 100 94 2.5-3.0 2.9=82, 2925/3.6=14...(21) HD2 LYS 68 + HE2 LYS 68 OK 77 81 100 95 2.3-3.0 3.0=78, 3.0/4267=8...(59) HD2 LYS 68 + HE3 LYS 68 OK 76 80 100 95 2.6-3.0 3.0=78, 3.0/4267=7...(59) HD3 LYS 94 + HE2 LYS 94 OK 75 80 100 94 2.2-3.0 3.0=81, 3.5/4206=10...(37) HD2 LYS 66 + HE2 LYS 66 OK 70 75 100 94 2.4-3.0 2.9=82, 2925/3.6=14...(20) HG2 LYS 24 - HE2 LYS 94 far 9 58 15 - 3.1-11.5 HG2 ARG 19 - HE3 LYS 20 far 3 59 5 - 3.9-9.2 HG2 LYS 24 - HE3 LYS 94 far 0 61 0 - 4.4-11.1 HB2 ARG 79 - HE3 LYS 68 far 0 86 0 - 4.8-11.3 HD3 LYS 94 - HE3 LYS 90 far 0 53 0 - 5.0-10.8 HG2 ARG 19 - HE2 LYS 20 far 0 59 0 - 5.5-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 71 0 - 5.5-11.9 HB3 ARG 79 - HE3 LYS 68 far 0 77 0 - 5.9-11.4 HB3 ARG 79 - HE2 LYS 68 far 0 77 0 - 6.0-12.0 HG2 LYS 68 - HE3 LYS 66 far 0 89 0 - 6.0-11.4 HB2 ARG 79 - HE2 LYS 68 far 0 87 0 - 6.0-11.8 HD3 LYS 39 - HE3 LYS 66 far 0 90 0 - 6.3-10.8 HD2 LYS 39 - HE2 LYS 66 far 0 64 0 - 6.3-10.6 HD2 LYS 39 - HE3 LYS 66 far 0 72 0 - 6.5-11.3 HB2 LEU 103 - HE3 LYS 68 far 0 59 0 - 6.5-19.0 HB3 LEU 29 - HE3 LYS 20 far 0 80 0 - 6.6-10.9 HG2 LYS 24 - HE3 LYS 20 far 0 61 0 - 6.6-11.6 HG2 LYS 24 - HE2 LYS 20 far 0 61 0 - 6.6-10.5 HB2 LEU 103 - HE2 LYS 68 far 0 59 0 - 6.7-17.6 HG3 LYS 73 - HE3 LYS 66 far 0 78 0 - 7.0-12.3 HG LEU 27 - HE2 LYS 94 far 0 80 0 - 7.1-12.1 HG2 LYS 68 - HE2 LYS 66 far 0 81 0 - 7.3-11.9 HD2 LYS 68 - HE3 LYS 66 far 0 75 0 - 7.3-12.3 HG3 LYS 73 - HE2 LYS 66 far 0 70 0 - 7.3-13.9 HD3 LYS 68 - HE3 LYS 66 far 0 77 0 - 7.5-12.6 HD3 LYS 39 - HE2 LYS 66 far 0 82 0 - 7.6-11.5 HB3 LEU 29 - HE2 LYS 20 far 0 81 0 - 7.9-11.5 HD2 LYS 68 - HE2 LYS 66 far 0 67 0 - 8.4-12.3 HG2 ARG 19 - HE3 LYS 90 far 0 35 0 - 8.4-14.0 HG LEU 27 - HE3 LYS 94 far 0 84 0 - 8.4-12.5 HD3 LYS 68 - HE2 LYS 66 far 0 69 0 - 8.7-13.2 HG3 LYS 12 - HE3 LYS 20 far 0 77 0 - 9.2-14.9 HG2 LYS 24 - HE3 LYS 90 far 0 36 0 - 9.2-14.0 HG3 LYS 73 - HE2 LYS 68 far 0 84 0 - 9.2-13.2 HD3 LYS 94 - HE2 LYS 20 far 0 84 0 - 9.4-13.1 HD2 LYS 66 - HE3 LYS 68 far 0 88 0 - 9.5-12.9 HG3 LYS 73 - HE3 LYS 68 far 0 83 0 - 9.5-13.1 HD2 LYS 66 - HE2 LYS 68 far 0 88 0 - 9.5-13.5 HD2 LYS 94 - HE2 LYS 20 far 0 100 0 - 9.6-13.2 HG3 LYS 12 - HE2 LYS 20 far 0 77 0 - 9.9-15.3 HB2 LEU 103 - HE2 LYS 94 far 0 56 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 4270 from cnoeabs.peaks (1.60, 2.91, 41.80 ppm; 2.93 A): 7 out of 44 assignments used, quality = 1.00: * HD3 LYS 94 + HE3 LYS 94 OK 100 100 100 100 2.4-3.0 3.0=98, 3.5/4206=12...(37) HD3 LYS 94 + HE2 LYS 94 OK 98 98 100 100 2.2-3.0 3.0=98, 3.5/4206=11...(38) HD2 LYS 66 + HE3 LYS 66 OK 97 97 100 100 2.5-3.0 2.9=100 HD2 LYS 66 + HE2 LYS 66 OK 90 90 100 100 2.4-3.0 2.9=100 HD2 LYS 94 + HE3 LYS 94 OK 83 84 100 99 2.2-3.0 3.0=98, 3.5/4206=12...(32) HD2 LYS 94 + HE2 LYS 94 OK 79 80 100 99 2.2-3.0 3.0=98, 3.5/4206=11...(32) HG3 LYS 90 + HE3 LYS 90 OK 55 65 100 84 2.0-3.1 3.8=47, 1.8/4005=22...(16) HG2 LYS 24 - HE2 LYS 94 far 14 95 15 - 3.1-11.5 HG2 ARG 19 - HE3 LYS 20 far 5 97 5 - 3.9-9.2 HG3 LYS 90 - HE3 LYS 94 far 5 97 5 - 4.2-9.3 HG2 LYS 24 - HE3 LYS 94 far 0 98 0 - 4.4-11.1 HG LEU 103 - HE2 LYS 68 far 0 96 0 - 4.7-19.2 HB2 ARG 79 - HE3 LYS 68 far 0 100 0 - 4.8-11.3 HG LEU 103 - HE3 LYS 68 far 0 95 0 - 4.9-21.0 HD3 LYS 94 - HE3 LYS 90 far 0 71 0 - 5.0-10.8 HG3 LYS 90 - HE2 LYS 20 far 0 97 0 - 5.1-10.0 HG3 LYS 90 - HE2 LYS 94 far 0 94 0 - 5.3-8.9 HG2 ARG 19 - HE2 LYS 20 far 0 98 0 - 5.5-9.9 HD2 LYS 94 - HE3 LYS 90 far 0 53 0 - 5.5-11.9 HB2 ARG 79 - HE2 LYS 68 far 0 100 0 - 6.0-11.8 HB2 LEU 103 - HE3 LYS 68 far 0 97 0 - 6.5-19.0 HB3 LEU 29 - HE3 LYS 20 far 0 100 0 - 6.6-10.9 HG2 LYS 24 - HE3 LYS 20 far 0 98 0 - 6.6-11.6 HG2 LYS 24 - HE2 LYS 20 far 0 98 0 - 6.6-10.5 HG3 LYS 90 - HE3 LYS 20 far 0 97 0 - 6.7-10.5 HB2 LEU 103 - HE2 LYS 68 far 0 98 0 - 6.7-17.6 HG3 LYS 73 - HE3 LYS 66 far 0 97 0 - 7.0-12.3 HG LEU 27 - HE2 LYS 94 far 0 98 0 - 7.1-12.1 HG3 LYS 73 - HE2 LYS 66 far 0 90 0 - 7.3-13.9 HB3 LEU 29 - HE2 LYS 20 far 0 100 0 - 7.9-11.5 HG2 ARG 19 - HE3 LYS 90 far 0 66 0 - 8.4-14.0 HG LEU 27 - HE3 LYS 94 far 0 100 0 - 8.4-12.5 HD3 LYS 82 - HE2 LYS 68 far 0 73 0 - 9.2-13.1 HG3 LYS 12 - HE3 LYS 20 far 0 100 0 - 9.2-14.9 HG2 LYS 24 - HE3 LYS 90 far 0 67 0 - 9.2-14.0 HG3 LYS 73 - HE2 LYS 68 far 0 100 0 - 9.2-13.2 HD3 LYS 82 - HE3 LYS 68 far 0 73 0 - 9.3-13.0 HD3 LYS 94 - HE2 LYS 20 far 0 100 0 - 9.4-13.1 HD2 LYS 66 - HE3 LYS 68 far 0 100 0 - 9.5-12.9 HG3 LYS 73 - HE3 LYS 68 far 0 100 0 - 9.5-13.1 HD2 LYS 66 - HE2 LYS 68 far 0 100 0 - 9.5-13.5 HD2 LYS 94 - HE2 LYS 20 far 0 84 0 - 9.6-13.2 HG3 LYS 12 - HE2 LYS 20 far 0 100 0 - 9.9-15.3 HB2 LEU 103 - HE2 LYS 94 far 0 94 0 - 9.9-20.3 Violated in 0 structures by 0.00 A. Peak 4271 from cnoeabs.peaks (2.92, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 99 99 - 100 HE3 LYS 94 + HE3 LYS 94 OK 99 99 - 100 HE2 LYS 68 + HE2 LYS 68 OK 99 99 - 100 HE2 LYS 94 + HE2 LYS 94 OK 98 98 - 100 HE3 LYS 68 + HE3 LYS 68 OK 98 98 - 100 HE3 LYS 66 + HE3 LYS 66 OK 88 88 - 100 HE2 LYS 66 + HE2 LYS 66 OK 72 72 - 100 HE3 LYS 90 + HE3 LYS 90 OK 63 63 - 100 Reference assignment not found: HE2 LYS 94 - HE3 LYS 94 Peak 4272 from cnoeabs.peaks (2.91, 2.91, 41.80 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 68 + HE2 LYS 68 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 68 + HE3 LYS 68 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 96 96 - 100 HE3 LYS 66 + HE3 LYS 66 OK 95 95 - 100 HE2 LYS 66 + HE2 LYS 66 OK 83 83 - 100 HE3 LYS 90 + HE3 LYS 90 OK 54 54 - 100 Peak 4274 from cnoeabs.peaks (8.36, 4.02, 59.37 ppm; 3.92 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 95 + HA GLU 95 OK 100 100 100 100 2.8-2.8 3.0=100 H ILE 93 - HA GLU 95 far 0 100 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 4275 from cnoeabs.peaks (4.02, 4.02, 59.37 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 95 + HA GLU 95 OK 100 100 - 100 HA LYS 20 + HA LYS 20 OK 39 39 - 100 HA GLU 16 + HA GLU 16 OK 38 38 - 100 HA GLU 69 + HA GLU 69 OK 24 24 - 100 Peak 4276 from cnoeabs.peaks (2.20, 4.02, 59.37 ppm; 3.22 A): 3 out of 11 assignments used, quality = 1.00: * HB2 GLU 95 + HA GLU 95 OK 100 100 100 100 2.4-3.0 3.0=100 HG2 GLU 99 + HA GLU 95 OK 25 95 75 34 2.7-6.9 4.7/7598=10, 7552/3.6=6...(9) HB3 GLU 16 + HA GLU 16 OK 22 22 100 100 2.2-3.0 3.0=100 HB3 GLN 72 - HA GLU 69 poor 18 22 100 81 3.0-4.6 9559=19, 4.4/9571=18...(16) HG2 GLU 98 - HA GLU 95 far 10 99 10 - 4.3-5.8 HB3 GLU 16 - HA LYS 20 far 0 28 0 - 6.8-8.7 HG3 GLU 35 - HA GLU 69 far 0 35 0 - 7.5-11.2 HG2 GLU 35 - HA GLU 69 far 0 35 0 - 7.8-12.3 HG3 GLU 75 - HA GLU 69 far 0 23 0 - 9.1-11.8 HG2 GLU 75 - HA GLU 69 far 0 21 0 - 9.9-10.9 HG3 PRO 86 - HA GLU 16 far 0 46 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 4277 from cnoeabs.peaks (2.16, 4.02, 59.37 ppm; 3.02 A): 6 out of 15 assignments used, quality = 1.00: * HB3 GLU 95 + HA GLU 95 OK 100 100 100 100 2.4-2.7 3.0=100 HB3 GLU 16 + HA GLU 16 OK 47 47 100 100 2.2-3.0 3.0=100 HB3 GLU 23 + HA LYS 20 OK 40 58 100 69 2.1-4.1 6366/6358=21, 705=19...(8) HB3 GLU 69 + HA GLU 69 OK 21 21 100 100 2.4-3.0 3.0=100 HB2 GLU 69 + HA GLU 69 OK 21 21 100 100 2.4-3.0 3.0=100 HG2 GLU 69 + HA GLU 69 OK 20 21 100 96 2.2-3.8 1.8/3118=45, 4.1=40...(24) HB2 GLN 72 - HA GLU 69 poor 9 35 25 - 4.3-5.0 HG2 GLU 104 - HA GLU 95 far 0 99 0 - 4.9-15.5 HB3 GLU 16 - HA LYS 20 far 0 57 0 - 6.8-8.7 HB2 PRO 86 - HA GLU 16 far 0 22 0 - 7.3-8.7 HB3 GLU 23 - HA GLU 16 far 0 48 0 - 8.1-9.6 HG3 GLU 75 - HA GLU 69 far 0 32 0 - 9.1-11.8 HG2 GLU 75 - HA GLU 69 far 0 33 0 - 9.9-10.9 HG3 PRO 86 - HA GLU 16 far 0 24 0 - 9.9-11.5 HG2 GLU 104 - HA GLU 69 far 0 34 0 - 10.0-23.9 Violated in 0 structures by 0.00 A. Peak 4278 from cnoeabs.peaks (2.27, 4.02, 59.37 ppm; 3.56 A): 3 out of 7 assignments used, quality = 1.00: * HG2 GLU 95 + HA GLU 95 OK 100 100 100 100 2.3-3.8 4302/3.0=75, 1.8/4308=68...(12) HG2 GLU 23 + HA LYS 20 OK 48 59 100 82 3.4-4.9 4301=33, 1.8/10471=31...(10) HG3 GLU 16 + HA GLU 16 OK 34 34 100 100 2.6-3.8 4.1=66, 1.8/712=53...(23) HG2 GLU 17 - HA GLU 16 far 0 34 0 - 5.2-7.2 HG2 GLU 23 - HA GLU 16 far 0 48 0 - 7.8-9.8 HG3 GLU 16 - HA LYS 20 far 0 42 0 - 8.2-10.2 HG2 GLU 17 - HA LYS 20 far 0 42 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 4279 from cnoeabs.peaks (2.52, 4.02, 59.37 ppm; 3.93 A): 3 out of 6 assignments used, quality = 1.00: * HG3 GLU 95 + HA GLU 95 OK 100 100 100 100 2.2-3.8 4308=100, 7542/3.0=69...(18) HG3 GLN 72 + HA GLU 69 OK 32 33 100 97 2.0-3.8 3.5/9571=34, 3.0/9559=30...(19) HG3 GLU 23 + HA LYS 20 OK 26 33 100 81 1.7-4.0 1.8/4301=29, 10471=27...(11) HG3 GLU 23 - HA GLU 16 far 0 26 0 - 7.0-8.2 HG2 MET 74 - HA GLU 69 far 0 36 0 - 7.2-10.8 HD2 ARG 91 - HA GLU 95 far 0 59 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 4280 from cnoeabs.peaks (8.21, 4.02, 59.37 ppm; 4.36 A): 3 out of 5 assignments used, quality = 1.00: * H PHE 96 + HA GLU 95 OK 100 100 100 100 3.4-3.5 3.6=100 H SER 97 + HA GLU 95 OK 98 100 100 99 4.1-4.5 7568=62, 7566/11014=51...(14) H LYS 68 + HA GLU 69 OK 25 25 100 98 5.1-5.4 7122/3.0=71, 10789=60...(12) H GLU 104 - HA GLU 95 far 0 100 0 - 6.3-14.1 H LEU 27 - HA LYS 20 far 0 39 0 - 7.6-8.0 Violated in 0 structures by 0.00 A. Peak 4281 from cnoeabs.peaks (7.66, 4.02, 59.37 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.99: * H GLU 98 + HA GLU 95 OK 98 100 100 98 3.3-4.3 7583=62, 7563/3.6=43...(11) H MET 21 + HA LYS 20 OK 39 39 100 100 3.5-3.5 3.6=100 H MET 21 - HA GLU 16 far 0 32 0 - 6.2-6.6 Violated in 0 structures by 0.00 A. Peak 4282 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.64 A): 5 out of 19 assignments used, quality = 0.98: * HB2 GLU 98 + HA GLU 95 OK 73 100 100 73 2.9-3.7 4368=32, 4.0/7583=24...(7) HB3 LYS 94 + HA GLU 95 OK 69 90 80 97 3.8-5.4 7531/3.0=54...(12) HB3 GLU 98 + HA GLU 95 OK 57 100 80 72 4.6-5.4 4376=28, 1.8/4368=24...(7) HB2 GLU 16 + HA GLU 16 OK 30 30 100 100 2.5-3.0 3.0=100 HB3 GLU 99 + HA GLU 95 OK 26 100 60 43 4.2-6.0 3.9/7598=16, 4376=11...(7) HB2 GLU 99 - HA GLU 95 poor 18 100 45 41 4.2-6.3 3.9/7598=16, 3.0/4276=9...(6) HB2 MET 21 - HA LYS 20 far 0 58 0 - 5.5-6.5 HB3 GLU 17 - HA GLU 16 far 0 23 0 - 5.8-6.6 HB2 GLU 16 - HA LYS 20 far 0 37 0 - 6.8-8.5 HG2 GLU 28 - HA LYS 20 far 0 50 0 - 7.7-11.3 HB3 GLU 17 - HA LYS 20 far 0 29 0 - 7.7-8.5 HB2 MET 21 - HA GLU 16 far 0 47 0 - 7.9-9.5 HG3 GLU 28 - HA LYS 20 far 0 50 0 - 8.5-11.1 HG12 ILE 93 - HA LYS 20 far 0 57 0 - 8.5-10.3 HB3 LEU 38 - HA GLU 69 far 0 24 0 - 8.5-10.8 HG12 ILE 93 - HA GLU 95 far 0 100 0 - 8.8-9.5 HB2 MET 21 - HA GLU 95 far 0 100 0 - 9.1-11.6 HB2 MET 74 - HA GLU 69 far 0 30 0 - 9.1-10.4 HG12 ILE 93 - HA GLU 16 far 0 47 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 4283 from cnoeabs.peaks (2.04, 4.02, 59.37 ppm; 3.64 A): 5 out of 19 assignments used, quality = 0.98: HB2 GLU 98 + HA GLU 95 OK 73 100 100 73 2.9-3.7 4368=32, 4.0/7583=24...(7) HB3 LYS 94 + HA GLU 95 OK 70 91 80 97 3.8-5.4 7531/3.0=55...(12) * HB3 GLU 98 + HA GLU 95 OK 57 100 80 72 4.6-5.4 4376=28, 1.8/4368=24...(7) HB2 GLU 16 + HA GLU 16 OK 29 29 100 100 2.5-3.0 3.0=100 HB3 GLU 99 + HA GLU 95 OK 26 100 60 43 4.2-6.0 3.9/7598=16, 4376=11...(7) HB2 GLU 99 - HA GLU 95 poor 18 100 45 41 4.2-6.3 3.9/7598=16, 3.0/4276=9...(6) HB2 MET 21 - HA LYS 20 far 0 57 0 - 5.5-6.5 HB3 GLU 17 - HA GLU 16 far 0 24 0 - 5.8-6.6 HB2 GLU 16 - HA LYS 20 far 0 36 0 - 6.8-8.5 HG2 GLU 28 - HA LYS 20 far 0 49 0 - 7.7-11.3 HB3 GLU 17 - HA LYS 20 far 0 30 0 - 7.7-8.5 HB2 MET 21 - HA GLU 16 far 0 47 0 - 7.9-9.5 HG3 GLU 28 - HA LYS 20 far 0 49 0 - 8.5-11.1 HG12 ILE 93 - HA LYS 20 far 0 58 0 - 8.5-10.3 HB3 LEU 38 - HA GLU 69 far 0 23 0 - 8.5-10.8 HG12 ILE 93 - HA GLU 95 far 0 100 0 - 8.8-9.5 HB2 MET 21 - HA GLU 95 far 0 100 0 - 9.1-11.6 HB2 MET 74 - HA GLU 69 far 0 30 0 - 9.1-10.4 HG12 ILE 93 - HA GLU 16 far 0 47 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 4284 from cnoeabs.peaks (4.82, 2.20, 29.51 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 92 + HB2 GLU 95 OK 100 100 100 100 2.4-4.9 4092=100, 4093/1.8=92...(9) Violated in 2 structures by 0.03 A. Peak 4285 from cnoeabs.peaks (8.36, 2.20, 29.51 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 95 + HB2 GLU 95 OK 100 100 100 100 2.1-2.7 4.0=100 H ILE 93 + HB2 GLU 95 OK 47 100 65 72 4.7-7.0 3.6/4092=51...(4) Violated in 0 structures by 0.00 A. Peak 4286 from cnoeabs.peaks (4.02, 2.20, 29.51 ppm; 3.66 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 95 + HB2 GLU 95 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 SER 97 - HB2 GLU 95 far 0 59 0 - 6.9-8.0 Violated in 0 structures by 0.00 A. Peak 4287 from cnoeabs.peaks (2.20, 2.20, 29.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 95 + HB2 GLU 95 OK 100 100 - 100 Peak 4288 from cnoeabs.peaks (2.16, 2.20, 29.51 ppm; 2.59 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 95 + HB2 GLU 95 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 104 - HB2 GLU 95 far 5 99 5 - 2.4-13.5 HG2 GLU 88 - HB2 GLU 95 far 0 95 0 - 8.4-12.0 Violated in 0 structures by 0.00 A. Peak 4289 from cnoeabs.peaks (2.27, 2.20, 29.51 ppm; 3.37 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 95 + HB2 GLU 95 OK 100 100 100 100 2.2-2.8 2.9=100 HD3 ARG 81 - HB2 GLU 95 far 0 63 0 - 8.1-11.8 Violated in 0 structures by 0.00 A. Peak 4290 from cnoeabs.peaks (2.52, 2.20, 29.51 ppm; 4.02 A): 1 out of 4 assignments used, quality = 1.00: * HG3 GLU 95 + HB2 GLU 95 OK 100 100 100 100 2.2-3.0 2.9=100 HD2 ARG 91 - HB2 GLU 95 far 0 59 0 - 7.7-9.7 HB2 ASP 87 - HB2 GLU 95 far 0 81 0 - 9.3-12.6 HB3 ASP 87 - HB2 GLU 95 far 0 81 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 4291 from cnoeabs.peaks (8.21, 2.20, 29.51 ppm; 4.50 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 96 + HB2 GLU 95 OK 100 100 100 100 2.9-4.1 4.6=94, 7554/4302=62...(9) H SER 97 + HB2 GLU 95 OK 95 100 100 95 5.2-5.9 4.6/7552=46...(8) H GLU 104 - HB2 GLU 95 poor 20 100 20 - 3.6-12.6 Violated in 0 structures by 0.00 A. Peak 4292 from cnoeabs.peaks (4.82, 2.16, 29.51 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HA TRP 92 + HB3 GLU 95 OK 100 100 100 100 3.7-5.9 4093=100, 4092/1.8=93...(7) Violated in 4 structures by 0.12 A. Peak 4293 from cnoeabs.peaks (8.36, 2.16, 29.51 ppm; 4.06 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 95 + HB3 GLU 95 OK 100 100 100 100 3.4-3.6 4.0=100 H ILE 93 - HB3 GLU 95 far 0 100 0 - 6.2-7.9 Violated in 0 structures by 0.00 A. Peak 4294 from cnoeabs.peaks (4.02, 2.16, 29.51 ppm; 3.12 A): 4 out of 9 assignments used, quality = 1.00: * HA GLU 95 + HB3 GLU 95 OK 100 100 100 100 2.4-2.7 3.0=100 HA GLU 16 + HB3 GLU 16 OK 59 59 100 100 2.2-3.0 3.0=100 HA GLU 17 + HB3 GLU 16 OK 39 49 95 83 4.2-5.1 2.9/6251=30, ~6250=25...(13) HA LYS 20 + HB3 GLU 23 OK 35 45 100 76 2.1-4.1 857=27, 856/1.8=25...(8) HA LYS 20 - HB3 GLU 16 far 0 50 0 - 6.8-8.7 HB3 SER 97 - HB3 GLU 95 far 0 59 0 - 7.1-8.5 HA GLU 17 - HB3 GLU 23 far 0 44 0 - 7.7-10.2 HA GLU 16 - HB3 GLU 23 far 0 54 0 - 8.1-9.6 HB3 SER 97 - HB3 GLU 23 far 0 32 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 4295 from cnoeabs.peaks (2.20, 2.16, 29.51 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 GLU 95 + HB3 GLU 95 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 99 - HB3 GLU 95 lone 4 95 60 6 2.4-6.4 4276/3.0=4, ~759=1 HG2 GLU 98 - HB3 GLU 95 far 0 99 0 - 6.5-8.3 HG3 PRO 86 - HB3 GLU 16 far 0 71 0 - 8.0-11.3 HB3 GLU 16 - HB3 GLU 23 far 0 32 0 - 9.0-11.1 Violated in 0 structures by 0.00 A. Peak 4296 from cnoeabs.peaks (2.16, 2.16, 29.51 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 95 + HB3 GLU 95 OK 100 100 - 100 HB3 GLU 16 + HB3 GLU 16 OK 72 72 - 100 HB3 GLU 23 + HB3 GLU 23 OK 66 66 - 100 Peak 4297 from cnoeabs.peaks (2.27, 2.16, 29.51 ppm; 2.84 A): 3 out of 6 assignments used, quality = 1.00: * HG2 GLU 95 + HB3 GLU 95 OK 100 100 100 100 2.6-3.0 2.9=93, 4302/1.8=79...(11) HG2 GLU 23 + HB3 GLU 23 OK 66 67 100 99 2.5-3.0 2.9=95, 1024/1.8=39...(17) HG3 GLU 16 + HB3 GLU 16 OK 52 53 100 99 2.2-3.0 3.0=84, 1024/1.8=29...(26) HG2 GLU 17 - HB3 GLU 16 far 8 53 15 - 3.2-6.3 HD3 ARG 81 - HB3 GLU 95 far 0 63 0 - 8.4-12.1 HG2 GLU 23 - HB3 GLU 16 far 0 73 0 - 9.0-12.0 Violated in 0 structures by 0.00 A. Peak 4298 from cnoeabs.peaks (2.52, 2.16, 29.51 ppm; 3.84 A): 2 out of 4 assignments used, quality = 1.00: * HG3 GLU 95 + HB3 GLU 95 OK 100 100 100 100 2.4-3.0 2.9=100 HG3 GLU 23 + HB3 GLU 23 OK 38 38 100 100 2.2-2.9 2.9=100 HG3 GLU 23 - HB3 GLU 16 far 0 42 0 - 8.3-10.3 HD2 ARG 91 - HB3 GLU 95 far 0 59 0 - 8.9-11.1 Violated in 0 structures by 0.00 A. Peak 4299 from cnoeabs.peaks (8.21, 2.16, 29.51 ppm; 4.36 A): 3 out of 4 assignments used, quality = 1.00: * H PHE 96 + HB3 GLU 95 OK 100 100 100 100 3.6-4.2 4.6=85, 7552/1.8=79...(8) H SER 97 + HB3 GLU 95 OK 89 100 100 89 5.4-5.8 7567/7540=42...(6) H LEU 27 + HB3 GLU 23 OK 22 45 75 63 5.2-6.1 8637/3.0=51...(3) H GLU 104 - HB3 GLU 95 lone 0 100 30 1 3.7-12.0 Violated in 0 structures by 0.00 A. Peak 4300 from cnoeabs.peaks (8.36, 2.27, 36.47 ppm; 3.81 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 95 + HG2 GLU 95 OK 100 100 100 100 1.9-3.8 7541=99, 7542/1.8=84...(16) H GLU 63 + HG2 GLU 62 OK 71 76 100 94 1.9-2.8 7015/2.9=49, 7016/2.9=29...(15) H GLU 63 + HG3 GLU 62 OK 69 76 100 91 2.3-3.8 7015/2.9=49, 7016/2.9=29...(10) H ILE 93 - HG2 GLU 95 poor 20 100 20 - 4.0-7.7 H TYR 4 - HG2 GLU 23 far 0 87 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 4301 from cnoeabs.peaks (4.02, 2.27, 36.47 ppm; 3.46 A): 2 out of 8 assignments used, quality = 1.00: * HA GLU 95 + HG2 GLU 95 OK 100 100 100 100 2.3-3.8 3.0/4302=72, 4308/1.8=64...(12) HA LYS 20 + HG2 GLU 23 OK 50 62 100 80 3.4-4.9 6358/6367=26, 4278=24...(10) HB3 SER 97 - HG2 GLU 95 far 0 59 0 - 6.7-9.2 HA GLU 16 - HG2 GLU 23 far 0 72 0 - 7.8-9.8 HB3 SER 59 - HG2 GLU 62 far 0 87 0 - 8.4-10.3 HA GLU 17 - HG2 GLU 23 far 0 61 0 - 8.7-10.3 HB3 SER 59 - HG3 GLU 62 far 0 87 0 - 9.2-11.8 HB3 SER 97 - HG2 GLU 23 far 0 45 0 - 9.8-13.0 Violated in 6 structures by 0.03 A. Peak 4302 from cnoeabs.peaks (2.20, 2.27, 36.47 ppm; 2.40 A): 1 out of 10 assignments used, quality = 0.84: * HB2 GLU 95 + HG2 GLU 95 OK 84 100 100 84 2.2-2.8 2.9=56, 1.8/4297=22...(9) HB2 GLU 63 - HG2 GLU 62 far 0 91 0 - 3.9-5.2 HB2 GLU 63 - HG3 GLU 62 far 0 91 0 - 4.6-5.9 HG2 GLU 99 - HG2 GLU 95 far 0 95 0 - 4.9-9.0 HG2 GLU 98 - HG2 GLU 95 far 0 99 0 - 6.8-8.9 HG3 GLU 35 - HG3 GLU 62 far 0 91 0 - 7.0-10.9 HG3 GLU 35 - HG2 GLU 62 far 0 91 0 - 7.9-11.5 HG2 GLU 35 - HG3 GLU 62 far 0 91 0 - 8.5-11.1 HB3 GLU 16 - HG2 GLU 23 far 0 45 0 - 9.0-12.0 HG2 GLU 35 - HG2 GLU 62 far 0 91 0 - 9.2-12.6 Violated in 6 structures by 0.05 A. Peak 4303 from cnoeabs.peaks (2.16, 2.27, 36.47 ppm; 2.61 A): 2 out of 18 assignments used, quality = 0.98: * HB3 GLU 95 + HG2 GLU 95 OK 90 100 100 90 2.6-3.0 2.9=72, 7540/7541=24...(9) HB3 GLU 23 + HG2 GLU 23 OK 82 86 100 95 2.5-3.0 2.9=74, 1.8/1024=34...(13) HG2 GLU 104 - HG2 GLU 95 far 10 99 10 - 2.0-14.9 HB2 GLU 63 - HG2 GLU 62 far 5 50 10 - 3.9-5.2 HB2 GLU 63 - HG3 GLU 62 far 0 50 0 - 4.6-5.9 HG2 GLU 69 - HG3 GLU 62 far 0 63 0 - 6.8-9.6 HG3 GLU 35 - HG3 GLU 62 far 0 52 0 - 7.0-10.9 HB3 GLU 69 - HG3 GLU 62 far 0 63 0 - 7.8-12.3 HG3 GLU 35 - HG2 GLU 62 far 0 52 0 - 7.9-11.5 HB2 GLU 69 - HG3 GLU 62 far 0 63 0 - 8.0-10.9 HG2 GLU 69 - HG2 GLU 62 far 0 63 0 - 8.3-11.0 HG2 GLU 35 - HG3 GLU 62 far 0 52 0 - 8.5-11.1 HG2 GLU 88 - HG2 GLU 95 far 0 95 0 - 8.6-11.5 HB3 GLU 16 - HG2 GLU 23 far 0 85 0 - 9.0-12.0 HB3 GLU 69 - HG2 GLU 62 far 0 63 0 - 9.1-13.2 HG2 GLU 35 - HG2 GLU 62 far 0 52 0 - 9.2-12.6 HB2 GLU 69 - HG2 GLU 62 far 0 63 0 - 9.4-12.0 HB3 GLU 37 - HG2 GLU 62 far 0 61 0 - 9.8-15.8 Violated in 1 structures by 0.00 A. Peak 4304 from cnoeabs.peaks (2.27, 2.27, 36.47 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 95 + HG2 GLU 95 OK 100 100 - 100 HG3 GLU 62 + HG3 GLU 62 OK 91 91 - 100 HG2 GLU 62 + HG2 GLU 62 OK 91 91 - 100 HG2 GLU 23 + HG2 GLU 23 OK 87 87 - 100 Peak 4305 from cnoeabs.peaks (2.52, 2.27, 36.47 ppm; 2.40 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 95 + HG2 GLU 95 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 23 + HG2 GLU 23 OK 52 52 100 100 1.8-1.8 1.8=100 HG3 GLU 63 - HG2 GLU 62 far 9 90 10 - 2.9-5.0 HG3 GLU 63 - HG3 GLU 62 far 0 90 0 - 4.2-6.4 HB2 ASP 61 - HG2 GLU 62 far 0 85 0 - 5.5-7.9 HD2 ARG 91 - HG2 GLU 95 far 0 59 0 - 6.4-9.4 HB2 ASP 61 - HG3 GLU 62 far 0 85 0 - 6.7-8.1 HB2 ASP 87 - HG2 GLU 95 far 0 81 0 - 8.3-11.8 HB3 ASP 87 - HG2 GLU 95 far 0 81 0 - 8.7-11.7 Violated in 0 structures by 0.00 A. Peak 4306 from cnoeabs.peaks (8.21, 2.27, 36.47 ppm; 4.83 A): 3 out of 8 assignments used, quality = 1.00: * H PHE 96 + HG2 GLU 95 OK 100 100 100 100 2.6-5.5 7554=96, 7552/4302=79...(8) H LEU 27 + HG2 GLU 23 OK 38 62 95 64 4.6-6.8 8637/1016=55, 4299/2.9=8...(4) H SER 97 + HG2 GLU 95 OK 29 100 30 95 5.0-7.4 4.6/7554=48...(6) H GLU 104 - HG2 GLU 95 poor 20 100 20 - 4.1-14.4 H LYS 68 - HG3 GLU 62 far 0 73 0 - 7.8-9.5 H LYS 68 - HG2 GLU 62 far 0 73 0 - 8.3-10.1 H ASP 36 - HG3 GLU 62 far 0 71 0 - 9.0-11.8 H ASP 36 - HG2 GLU 62 far 0 71 0 - 9.3-13.4 Violated in 0 structures by 0.00 A. Peak 4307 from cnoeabs.peaks (8.36, 2.52, 36.47 ppm; 3.56 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 95 + HG3 GLU 95 OK 100 100 100 100 2.8-3.6 7542=100, 7541/1.8=65...(15) H ILE 93 - HG3 GLU 95 far 0 100 0 - 5.2-7.6 Violated in 1 structures by 0.00 A. Peak 4308 from cnoeabs.peaks (4.02, 2.52, 36.47 ppm; 3.73 A): 1 out of 2 assignments used, quality = 1.00: * HA GLU 95 + HG3 GLU 95 OK 100 100 100 100 2.2-3.8 4.1=74, 3.0/7542=63...(19) HB3 SER 97 - HG3 GLU 95 far 0 59 0 - 6.9-8.9 Violated in 3 structures by 0.01 A. Peak 4309 from cnoeabs.peaks (2.20, 2.52, 36.47 ppm; 2.95 A): 1 out of 3 assignments used, quality = 1.00: * HB2 GLU 95 + HG3 GLU 95 OK 100 100 100 100 2.2-3.0 2.9=100 HG2 GLU 99 - HG3 GLU 95 far 5 95 5 - 3.6-8.6 HG2 GLU 98 - HG3 GLU 95 far 0 99 0 - 6.4-8.7 Violated in 4 structures by 0.01 A. Peak 4310 from cnoeabs.peaks (2.16, 2.52, 36.47 ppm; 3.18 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 95 + HG3 GLU 95 OK 100 100 100 100 2.4-3.0 2.9=100 HG2 GLU 104 - HG3 GLU 95 far 5 99 5 - 3.5-15.7 HG2 GLU 88 - HG3 GLU 95 far 0 95 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 4311 from cnoeabs.peaks (2.27, 2.52, 36.47 ppm; 2.43 A): 1 out of 2 assignments used, quality = 1.00: * HG2 GLU 95 + HG3 GLU 95 OK 100 100 100 100 1.8-1.8 1.8=100 HD3 ARG 81 - HG3 GLU 95 far 0 63 0 - 8.4-14.5 Violated in 0 structures by 0.00 A. Peak 4312 from cnoeabs.peaks (2.52, 2.52, 36.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 95 + HG3 GLU 95 OK 100 100 - 100 Peak 4313 from cnoeabs.peaks (8.21, 2.52, 36.47 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 96 + HG3 GLU 95 OK 100 100 100 100 2.3-5.2 7554/1.8=85, 7555=83...(8) H SER 97 + HG3 GLU 95 OK 86 100 90 96 4.8-7.2 7567/7542=54...(7) H GLU 104 - HG3 GLU 95 poor 20 100 20 - 4.3-14.7 Violated in 1 structures by 0.00 A. Peak 4314 from cnoeabs.peaks (8.21, 4.51, 59.61 ppm; 3.67 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 96 + HA PHE 96 OK 100 100 100 100 2.8-2.9 3.0=100 H SER 97 + HA PHE 96 OK 100 100 100 100 3.5-3.5 3.6=100 H GLU 104 - HA PHE 96 far 0 100 0 - 5.8-10.7 Violated in 0 structures by 0.00 A. Peak 4315 from cnoeabs.peaks (4.51, 4.51, 59.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 96 + HA PHE 96 OK 100 100 - 100 Peak 4316 from cnoeabs.peaks (3.10, 4.51, 59.61 ppm; 3.81 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PHE 96 + HA PHE 96 OK 100 100 100 100 3.0-3.0 3.0=100 HD2 ARG 79 - HA PHE 96 far 12 82 15 - 4.7-10.0 HB2 HIS 105 - HA PHE 96 far 4 84 5 - 5.2-16.5 HB3 HIS 105 - HA PHE 96 far 3 69 5 - 4.6-17.0 HB2 TRP 92 - HA PHE 96 far 0 100 0 - 6.1-8.0 HD3 ARG 79 - HA PHE 96 far 0 85 0 - 6.3-10.0 Violated in 0 structures by 0.00 A. Peak 4317 from cnoeabs.peaks (3.47, 4.51, 59.61 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HA PHE 96 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 4318 from cnoeabs.peaks (7.03, 4.51, 59.61 ppm; 3.43 A): 1 out of 3 assignments used, quality = 0.99: * QD PHE 96 + HA PHE 96 OK 99 100 100 99 1.9-3.1 3.7=78, 2.2/11016=45...(15) HZ PHE 96 - HA PHE 96 far 0 73 0 - 5.9-6.3 HZ3 TRP 92 - HA PHE 96 far 0 71 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 4321 from cnoeabs.peaks (8.22, 4.51, 59.61 ppm; 3.67 A): 2 out of 3 assignments used, quality = 1.00: * H SER 97 + HA PHE 96 OK 100 100 100 100 3.5-3.5 3.6=100 H PHE 96 + HA PHE 96 OK 100 100 100 100 2.8-2.9 3.0=100 H GLU 104 - HA PHE 96 far 0 100 0 - 5.8-10.7 Violated in 0 structures by 0.00 A. Peak 4322 from cnoeabs.peaks (7.79, 4.51, 59.61 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 99 + HA PHE 96 OK 100 100 100 100 3.1-4.6 7599=100, 7595/7585=61...(10) Violated in 0 structures by 0.00 A. Peak 4323 from cnoeabs.peaks (2.04, 4.51, 59.61 ppm; 4.29 A): 3 out of 7 assignments used, quality = 1.00: * HB2 GLU 99 + HA PHE 96 OK 92 100 100 92 1.9-5.3 3.0/11025=47...(8) HB3 GLU 99 + HA PHE 96 OK 92 100 100 92 2.7-5.3 3.0/11025=47...(9) HB2 GLU 98 + HA PHE 96 OK 26 100 35 74 5.4-6.2 4.0/7585=42, 4.6/7599=40...(6) HB3 GLU 98 - HA PHE 96 far 0 100 0 - 6.9-7.7 HG12 ILE 93 - HA PHE 96 far 0 100 0 - 7.2-8.1 HB3 LYS 94 - HA PHE 96 far 0 91 0 - 7.3-8.0 HB2 MET 21 - HA PHE 96 far 0 100 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 4324 from cnoeabs.peaks (2.04, 4.51, 59.61 ppm; 4.29 A): 3 out of 7 assignments used, quality = 1.00: * HB3 GLU 99 + HA PHE 96 OK 92 100 100 92 2.7-5.3 3.0/11025=47...(9) HB2 GLU 99 + HA PHE 96 OK 92 100 100 92 1.9-5.3 3.0/11025=47...(8) HB2 GLU 98 + HA PHE 96 OK 25 100 35 73 5.4-6.2 4.0/7585=42, 4.6/7599=40...(6) HB3 GLU 98 - HA PHE 96 far 0 100 0 - 6.9-7.7 HG12 ILE 93 - HA PHE 96 far 0 100 0 - 7.2-8.1 HB3 LYS 94 - HA PHE 96 far 0 96 0 - 7.3-8.0 HB2 MET 21 - HA PHE 96 far 0 98 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 4325 from cnoeabs.peaks (3.54, 3.10, 40.43 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HB2 PHE 96 OK 100 100 100 100 2.1-3.3 4128/1.8=79...(20) Violated in 0 structures by 0.00 A. Peak 4326 from cnoeabs.peaks (8.21, 3.10, 40.43 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * H PHE 96 + HB2 PHE 96 OK 100 100 100 100 2.3-2.7 7557=100, 7558/1.8=84...(15) H SER 97 + HB2 PHE 96 OK 100 100 100 100 2.6-2.9 7571=100, 7572/1.8=66...(15) H GLU 104 - HB2 PHE 96 far 0 100 0 - 6.9-12.5 H LEU 27 - HB2 PHE 96 far 0 79 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 4327 from cnoeabs.peaks (4.51, 3.10, 40.43 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 96 + HB2 PHE 96 OK 100 100 100 100 3.0-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4328 from cnoeabs.peaks (3.10, 3.10, 40.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 96 + HB2 PHE 96 OK 100 100 - 100 Peak 4329 from cnoeabs.peaks (3.47, 3.10, 40.43 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HB2 PHE 96 OK 100 100 100 100 1.8-1.8 1.8=100 Violated in 0 structures by 0.00 A. Peak 4330 from cnoeabs.peaks (7.03, 3.10, 40.43 ppm; 4.13 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 96 + HB2 PHE 96 OK 100 100 100 100 2.3-2.5 2.4=100 HZ PHE 96 - HB2 PHE 96 far 0 73 0 - 5.8-5.8 HZ3 TRP 92 - HB2 PHE 96 far 0 71 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 4333 from cnoeabs.peaks (8.22, 3.10, 40.43 ppm; 3.73 A): 2 out of 4 assignments used, quality = 1.00: * H SER 97 + HB2 PHE 96 OK 100 100 100 100 2.6-2.9 7571=100, 7572/1.8=66...(15) H PHE 96 + HB2 PHE 96 OK 100 100 100 100 2.3-2.7 7557=100, 7558/1.8=84...(15) H GLU 104 - HB2 PHE 96 far 0 100 0 - 6.9-12.5 H LEU 27 - HB2 PHE 96 far 0 85 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 4334 from cnoeabs.peaks (3.54, 3.47, 40.43 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 93 + HB3 PHE 96 OK 100 100 100 100 2.8-3.7 4128=100, 4325/1.8=77...(17) Violated in 0 structures by 0.00 A. Peak 4335 from cnoeabs.peaks (8.21, 3.47, 40.43 ppm; 3.65 A): 2 out of 3 assignments used, quality = 1.00: * H PHE 96 + HB3 PHE 96 OK 100 100 100 100 2.5-2.9 7558=100, 7557/1.8=82...(13) H SER 97 + HB3 PHE 96 OK 99 100 100 99 3.8-4.1 7572=75, 7571/1.8=74...(12) H GLU 104 - HB3 PHE 96 far 0 100 0 - 5.5-11.3 Violated in 0 structures by 0.00 A. Peak 4336 from cnoeabs.peaks (4.51, 3.47, 40.43 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 96 + HB3 PHE 96 OK 100 100 100 100 2.3-2.6 3.0=100 Violated in 0 structures by 0.00 A. Peak 4337 from cnoeabs.peaks (3.10, 3.47, 40.43 ppm; 3.41 A): 1 out of 6 assignments used, quality = 1.00: * HB2 PHE 96 + HB3 PHE 96 OK 100 100 100 100 1.8-1.8 1.8=100 HD2 ARG 79 - HB3 PHE 96 poor 16 82 20 - 3.8-9.3 HB2 TRP 92 - HB3 PHE 96 poor 14 100 30 48 4.1-5.8 9987/10050=26...(7) HD3 ARG 79 - HB3 PHE 96 far 0 85 0 - 5.2-9.8 HB3 HIS 105 - HB3 PHE 96 far 0 70 0 - 6.1-17.6 HB2 HIS 105 - HB3 PHE 96 far 0 84 0 - 6.2-17.1 Violated in 0 structures by 0.00 A. Peak 4338 from cnoeabs.peaks (3.47, 3.47, 40.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + HB3 PHE 96 OK 100 100 - 100 Peak 4339 from cnoeabs.peaks (7.03, 3.47, 40.43 ppm; 3.99 A): 1 out of 3 assignments used, quality = 1.00: * QD PHE 96 + HB3 PHE 96 OK 100 100 100 100 2.3-2.7 2.4=100 HZ PHE 96 - HB3 PHE 96 far 0 73 0 - 5.8-5.8 HZ3 TRP 92 - HB3 PHE 96 far 0 71 0 - 8.5-9.1 Violated in 0 structures by 0.00 A. Peak 4342 from cnoeabs.peaks (8.22, 3.47, 40.43 ppm; 3.65 A): 2 out of 3 assignments used, quality = 1.00: H PHE 96 + HB3 PHE 96 OK 100 100 100 100 2.5-2.9 7558=100, 7557/1.8=82...(13) * H SER 97 + HB3 PHE 96 OK 99 100 100 99 3.8-4.1 7572=75, 7571/1.8=74...(12) H GLU 104 - HB3 PHE 96 far 0 100 0 - 5.5-11.3 Violated in 0 structures by 0.00 A. Peak 4343 from cnoeabs.peaks (8.22, 3.82, 60.49 ppm; 3.63 A): 2 out of 3 assignments used, quality = 1.00: * H SER 97 + HA SER 97 OK 100 100 100 100 2.8-2.9 3.0=100 H PHE 96 + HA SER 97 OK 59 100 80 73 5.0-5.3 7584/3.6=24, 4350/3.0=22...(9) H LEU 27 - HA SER 97 far 0 85 0 - 6.7-8.3 Violated in 0 structures by 0.00 A. Peak 4344 from cnoeabs.peaks (3.82, 3.82, 60.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 97 + HA SER 97 OK 100 100 - 100 Peak 4345 from cnoeabs.peaks (3.95, 3.82, 60.49 ppm; 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 97 + HA SER 97 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 SER 97 + HA SER 97 OK 68 68 100 100 2.4-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4346 from cnoeabs.peaks (3.98, 3.82, 60.49 ppm; 2.97 A): 2 out of 3 assignments used, quality = 1.00: * HB3 SER 97 + HA SER 97 OK 99 100 100 99 2.4-3.0 3.0=95, 4356/3.0=24...(16) HB2 SER 97 + HA SER 97 OK 66 68 100 98 2.3-3.0 3.0=95, 7577/3.0=18...(14) HA GLU 95 - HA SER 97 far 0 59 0 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 4347 from cnoeabs.peaks (7.66, 3.82, 60.49 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HA SER 97 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 4348 from cnoeabs.peaks (8.14, 3.82, 60.49 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 100 + HA SER 97 OK 100 100 100 100 3.4-4.5 7616=90, 10085/10066=87...(7) Violated in 0 structures by 0.00 A. Peak 4349 from cnoeabs.peaks (3.87, 3.95, 63.02 ppm; 3.59 A): 1 out of 7 assignments used, quality = 0.92: * HA LYS 94 + HB2 SER 97 OK 92 100 100 92 2.6-4.1 4182=58, 7566/4.1=32...(9) HA ALA 22 - HB2 SER 97 poor 13 59 70 31 4.2-6.8 10334/10078=19...(6) HA2 GLY 100 - HB2 SER 97 far 0 100 0 - 5.9-8.8 HA3 GLY 101 - HB2 SER 97 far 0 82 0 - 7.5-10.7 HA2 GLY 101 - HB2 SER 97 far 0 100 0 - 8.1-11.0 HA ARG 91 - HB2 SER 97 far 0 90 0 - 8.7-10.2 HB2 SER 102 - HB2 SER 97 far 0 81 0 - 9.4-13.6 Violated in 10 structures by 0.09 A. Peak 4350 from cnoeabs.peaks (8.22, 3.95, 63.02 ppm; 3.63 A): 2 out of 3 assignments used, quality = 0.99: * H SER 97 + HB2 SER 97 OK 97 100 100 97 2.2-3.1 4.1=71, 7578/1.8=41...(11) H PHE 96 + HB2 SER 97 OK 67 100 90 74 4.3-5.3 4.6/7577=23, 7563/4.5=21...(8) H LEU 27 - HB2 SER 97 far 0 85 0 - 5.4-7.8 Violated in 0 structures by 0.00 A. Peak 4351 from cnoeabs.peaks (3.82, 3.95, 63.02 ppm; 3.07 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 97 + HB2 SER 97 OK 100 100 100 100 2.3-3.0 3.0=100 HA ALA 22 - HB2 SER 97 far 10 99 10 - 4.2-6.8 HB3 SER 102 - HB2 SER 97 far 0 100 0 - 8.3-14.1 Violated in 0 structures by 0.00 A. Peak 4352 from cnoeabs.peaks (3.95, 3.95, 63.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 97 + HB2 SER 97 OK 100 100 - 100 Peak 4353 from cnoeabs.peaks (3.98, 3.95, 63.02 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HB2 SER 97 + HB2 SER 97 OK 68 68 - 100 Reference assignment not found: HB3 SER 97 - HB2 SER 97 Peak 4354 from cnoeabs.peaks (7.66, 3.95, 63.02 ppm; 4.72 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HB2 SER 97 OK 100 100 100 100 2.4-3.8 4.5=100 H MET 21 - HB2 SER 97 far 0 79 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 4355 from cnoeabs.peaks (3.87, 3.98, 63.02 ppm; 3.78 A): 1 out of 7 assignments used, quality = 0.92: * HA LYS 94 + HB3 SER 97 OK 92 100 100 92 2.6-3.9 4182/1.8=47, 4183=36...(11) HA ALA 22 - HB3 SER 97 far 6 59 10 - 4.8-7.0 HA2 GLY 100 - HB3 SER 97 far 0 100 0 - 5.9-8.2 HA3 GLY 101 - HB3 SER 97 far 0 82 0 - 8.2-10.9 HA ARG 91 - HB3 SER 97 far 0 90 0 - 8.3-9.9 HA2 GLY 101 - HB3 SER 97 far 0 100 0 - 8.4-11.0 HB2 SER 102 - HB3 SER 97 far 0 81 0 - 9.4-13.9 Violated in 2 structures by 0.01 A. Peak 4356 from cnoeabs.peaks (8.22, 3.98, 63.02 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.99: * H SER 97 + HB3 SER 97 OK 98 100 100 98 2.1-3.0 4.1=68, 7577/1.8=50...(15) H PHE 96 + HB3 SER 97 OK 56 100 75 74 4.1-5.2 7549/4355=22...(10) H LEU 27 - HB3 SER 97 far 0 85 0 - 5.6-7.7 Violated in 0 structures by 0.00 A. Peak 4357 from cnoeabs.peaks (3.82, 3.98, 63.02 ppm; 3.10 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 97 + HB3 SER 97 OK 100 100 100 100 2.4-3.0 3.0=100 HA ALA 22 - HB3 SER 97 far 0 99 0 - 4.8-7.0 HB3 SER 102 - HB3 SER 97 far 0 100 0 - 8.4-14.2 Violated in 0 structures by 0.00 A. Peak 4358 from cnoeabs.peaks (3.95, 3.98, 63.02 ppm; diagonal): 1 out of 1 assignment used, quality = 0.68: HB3 SER 97 + HB3 SER 97 OK 68 68 - 100 Reference assignment not found: HB2 SER 97 - HB3 SER 97 Peak 4359 from cnoeabs.peaks (3.98, 3.98, 63.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 97 + HB3 SER 97 OK 100 100 - 100 Peak 4360 from cnoeabs.peaks (7.66, 3.98, 63.02 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * H GLU 98 + HB3 SER 97 OK 100 100 100 100 2.1-3.8 4.5=100 H MET 21 - HB3 SER 97 far 0 79 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 4361 from cnoeabs.peaks (7.66, 4.19, 57.07 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HA GLU 98 OK 100 100 100 100 2.7-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 4362 from cnoeabs.peaks (4.19, 4.19, 57.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + HA GLU 98 OK 100 100 - 100 Peak 4363 from cnoeabs.peaks (2.04, 4.19, 57.07 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.3-2.5 3.0=100 * HB2 GLU 98 + HA GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 99 - HA GLU 98 far 0 100 0 - 5.4-6.6 HB3 GLU 99 - HA GLU 98 far 0 100 0 - 5.6-6.6 HB3 LYS 94 - HA GLU 98 far 0 90 0 - 6.1-9.4 Violated in 0 structures by 0.00 A. Peak 4364 from cnoeabs.peaks (2.04, 4.19, 57.07 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: * HB3 GLU 98 + HA GLU 98 OK 100 100 100 100 2.3-2.5 3.0=100 HB2 GLU 98 + HA GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HB2 GLU 99 - HA GLU 98 far 0 100 0 - 5.4-6.6 HB3 GLU 99 - HA GLU 98 far 0 100 0 - 5.6-6.6 HB3 LYS 94 - HA GLU 98 far 0 91 0 - 6.1-9.4 Violated in 0 structures by 0.00 A. Peak 4365 from cnoeabs.peaks (2.21, 4.19, 57.07 ppm; 3.35 A): 1 out of 4 assignments used, quality = 0.98: * HG2 GLU 98 + HA GLU 98 OK 98 100 100 98 2.5-3.6 1.8/4366=68, 3.9=64...(13) HG2 GLU 99 - HA GLU 98 far 0 100 0 - 5.2-7.6 HG2 MET 1 - HA GLU 98 far 0 95 0 - 7.6-11.6 HB2 GLU 95 - HA GLU 98 far 0 99 0 - 8.1-8.9 Violated in 2 structures by 0.02 A. Peak 4366 from cnoeabs.peaks (2.47, 4.19, 57.07 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.99: * HG3 GLU 98 + HA GLU 98 OK 99 100 100 99 2.9-3.6 1.8/4365=75, 3.9=72...(23) HG3 GLU 99 - HA GLU 98 far 0 68 0 - 5.2-7.0 Violated in 1 structures by 0.01 A. Peak 4367 from cnoeabs.peaks (7.79, 4.19, 57.07 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 99 + HA GLU 98 OK 100 100 100 100 3.4-3.6 3.6=100 Violated in 0 structures by 0.00 A. Peak 4368 from cnoeabs.peaks (4.02, 2.04, 29.32 ppm; 3.71 A): 4 out of 12 assignments used, quality = 0.94: * HA GLU 95 + HB2 GLU 98 OK 69 100 100 69 2.9-3.7 4282=27, 7583/4.0=25...(7) HA GLU 95 + HB3 GLU 98 OK 60 100 90 67 4.6-5.4 7583/4.0=25, 4282=21...(7) HB3 SER 97 + HB2 GLU 98 OK 32 59 85 63 4.7-6.5 11023/3.0=23...(8) HA GLU 95 + HB3 GLU 99 OK 24 99 60 41 4.2-6.0 7598/3.9=17, 4276/3.0=10...(7) HA GLU 95 - HB2 GLU 99 poor 18 100 45 39 4.2-6.3 7598/3.9=17, 4276/3.0=10...(6) HB2 SER 49 - HB2 GLN 50 poor 8 23 35 - 4.7-6.7 HB2 SER 49 - HB3 GLU 48 far 5 35 15 - 5.0-7.2 HB3 SER 97 - HB3 GLU 98 far 0 59 0 - 5.2-7.2 HB3 SER 97 - HB2 GLU 99 far 0 59 0 - 6.5-8.9 HB3 SER 97 - HB3 GLU 99 far 0 56 0 - 6.6-9.2 HA GLU 75 - HB2 GLN 50 far 0 34 0 - 9.7-15.3 HA LEU 70 - HB3 GLU 43 far 0 81 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 4369 from cnoeabs.peaks (7.66, 2.04, 29.32 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: * H GLU 98 + HB2 GLU 98 OK 98 100 100 98 2.5-2.8 4.0=62, 7594/3.0=44...(12) H GLU 98 + HB3 GLU 98 OK 97 100 100 97 3.6-3.7 4.0=62, 7594/3.0=44...(11) HE22 GLN 50 - HB3 GLU 48 poor 19 38 50 - 3.6-11.1 H GLU 98 - HB3 GLU 99 poor 17 99 25 68 4.5-6.6 7595/3.9=42, 7596/4.7=20...(7) HE22 GLN 50 - HB2 GLN 50 poor 17 26 100 65 1.8-4.0 4.5=43, 9096/3.0=21...(8) H GLU 98 - HB2 GLU 99 far 15 100 15 - 4.0-6.5 H LYS 40 - HB3 GLU 43 far 3 65 5 - 4.8-6.6 HD22 ASN 51 - HB2 GLN 50 far 3 28 10 - 4.5-7.7 HD22 ASN 51 - HB3 GLU 48 far 0 41 0 - 6.0-10.5 Violated in 0 structures by 0.00 A. Peak 4370 from cnoeabs.peaks (4.19, 2.04, 29.32 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.3-2.5 3.0=100 * HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HA MET 1 - HB2 GLN 50 far 0 28 0 - 5.3-9.5 HA GLU 98 - HB2 GLU 99 far 0 100 0 - 5.4-6.6 HA GLU 98 - HB3 GLU 99 far 0 99 0 - 5.6-6.6 HA MET 1 - HB3 GLU 48 far 0 41 0 - 7.2-11.5 Violated in 0 structures by 0.00 A. Peak 4371 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 98 98 - 100 HB3 GLU 43 + HB3 GLU 43 OK 69 69 - 100 HB3 GLU 48 + HB3 GLU 48 OK 62 62 - 100 HB2 GLN 50 + HB2 GLN 50 OK 35 35 - 100 Peak 4372 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 98 98 - 100 HB3 GLU 43 + HB3 GLU 43 OK 68 68 - 100 HB3 GLU 48 + HB3 GLU 48 OK 62 62 - 100 HB2 GLN 50 + HB2 GLN 50 OK 36 36 - 100 Reference assignment not found: HB3 GLU 98 - HB2 GLU 98 Peak 4373 from cnoeabs.peaks (2.21, 2.04, 29.32 ppm; 2.76 A): 5 out of 19 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 94 99 100 95 2.2-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 93 98 100 95 2.3-3.0 3.0=80, 4402/3.0=29...(15) * HG2 GLU 98 + HB2 GLU 98 OK 93 100 100 93 2.6-3.0 3.0=77, 4365/3.0=35...(12) HG2 GLU 98 + HB3 GLU 98 OK 93 100 100 93 2.3-2.6 3.0=77, 4365/3.0=35...(11) HG2 GLU 43 + HB3 GLU 43 OK 54 60 100 91 2.2-2.7 3.0=77, 6695/6694=20...(15) HG2 GLU 99 - HB2 GLU 98 poor 10 100 25 38 2.9-7.2 7611/4.6=9, 4402/4400=6...(17) HG2 GLU 99 - HB3 GLU 98 far 5 100 5 - 3.9-8.4 HB2 GLU 95 - HB3 GLU 99 far 0 96 0 - 5.2-7.5 HB2 GLU 95 - HB2 GLU 98 far 0 99 0 - 5.4-6.6 HB2 GLU 95 - HB2 GLU 99 far 0 98 0 - 5.5-7.5 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.6-8.4 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.6-8.1 HG2 MET 1 - HB2 GLN 50 far 0 38 0 - 6.8-11.9 HB2 GLU 95 - HB3 GLU 98 far 0 98 0 - 7.0-8.3 HB3 GLU 75 - HB2 GLN 50 far 0 31 0 - 7.9-14.3 HG2 MET 1 - HB3 GLU 48 far 0 54 0 - 7.9-12.0 HG2 MET 1 - HB2 GLU 99 far 0 94 0 - 8.6-11.7 HG2 MET 1 - HB3 GLU 99 far 0 92 0 - 8.7-12.8 HG2 MET 1 - HB3 GLU 98 far 0 95 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 4374 from cnoeabs.peaks (2.47, 2.04, 29.32 ppm; 3.34 A): 5 out of 11 assignments used, quality = 1.00: * HG3 GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.3-2.6 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 67 67 100 100 2.4-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 64 64 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 98 OK 22 68 85 38 2.9-6.8 4428/4.6=16, 4.1/4400=9...(7) HG3 GLU 99 - HB3 GLU 98 poor 15 67 55 41 4.1-7.7 4428/4.6=16, 4.1/4400=8...(13) HG3 GLU 98 - HB3 GLU 99 far 0 99 0 - 5.7-7.5 HG3 GLU 98 - HB2 GLU 99 far 0 100 0 - 5.9-7.7 HB3 ASP 36 - HB3 GLU 43 far 0 51 0 - 8.1-11.5 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 8.7-13.1 HB2 ASP 36 - HB3 GLU 43 far 0 52 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 4375 from cnoeabs.peaks (7.79, 2.04, 29.32 ppm; 3.30 A): 4 out of 7 assignments used, quality = 1.00: H GLU 99 + HB2 GLU 99 OK 94 100 100 94 2.1-3.6 3.9=62, 4428/3.0=42...(11) H GLU 99 + HB3 GLU 99 OK 93 99 100 94 2.3-3.6 3.9=62, 4428/3.0=42...(12) * H GLU 99 + HB2 GLU 98 OK 90 100 100 90 2.0-3.2 4.6=37, 7595/4.0=37...(16) H GLU 99 + HB3 GLU 98 OK 89 100 100 89 3.1-4.3 4.6=37, 7595/4.0=37...(13) H TYR 41 - HB3 GLU 43 far 0 57 0 - 5.0-7.1 HE ARG 30 - HB3 GLU 43 far 0 80 0 - 8.1-13.9 HE ARG 30 - HB3 GLU 48 far 0 61 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 4376 from cnoeabs.peaks (4.02, 2.04, 29.32 ppm; 3.71 A): 4 out of 12 assignments used, quality = 0.94: HA GLU 95 + HB2 GLU 98 OK 69 100 100 69 2.9-3.7 4282=27, 7583/4.0=25...(7) * HA GLU 95 + HB3 GLU 98 OK 60 100 90 67 4.6-5.4 7583/4.0=25, 4282=21...(7) HB3 SER 97 + HB2 GLU 98 OK 32 59 85 63 4.7-6.5 11023/3.0=23...(8) HA GLU 95 + HB3 GLU 99 OK 25 99 60 41 4.2-6.0 7598/3.9=17, 4276/3.0=10...(7) HA GLU 95 - HB2 GLU 99 poor 18 100 45 39 4.2-6.3 7598/3.9=17, 4276/3.0=10...(6) HB2 SER 49 - HB2 GLN 50 poor 9 24 35 - 4.7-6.7 HB2 SER 49 - HB3 GLU 48 far 5 34 15 - 5.0-7.2 HB3 SER 97 - HB3 GLU 98 far 0 59 0 - 5.2-7.2 HB3 SER 97 - HB2 GLU 99 far 0 59 0 - 6.5-8.9 HB3 SER 97 - HB3 GLU 99 far 0 57 0 - 6.6-9.2 HA GLU 75 - HB2 GLN 50 far 0 35 0 - 9.7-15.3 HA LEU 70 - HB3 GLU 43 far 0 79 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 4377 from cnoeabs.peaks (7.66, 2.04, 29.32 ppm; 3.42 A): 2 out of 9 assignments used, quality = 1.00: H GLU 98 + HB2 GLU 98 OK 98 100 100 98 2.5-2.8 4.0=62, 7594/3.0=44...(12) * H GLU 98 + HB3 GLU 98 OK 97 100 100 97 3.6-3.7 4.0=62, 7594/3.0=44...(11) HE22 GLN 50 - HB3 GLU 48 poor 19 38 50 - 3.6-11.1 HE22 GLN 50 - HB2 GLN 50 poor 17 27 100 65 1.8-4.0 4.5=43, 9096/3.0=21...(8) H GLU 98 - HB3 GLU 99 poor 17 99 25 68 4.5-6.6 7595/3.9=42, 7596/4.7=20...(7) H GLU 98 - HB2 GLU 99 far 15 100 15 - 4.0-6.5 H LYS 40 - HB3 GLU 43 far 3 63 5 - 4.8-6.6 HD22 ASN 51 - HB2 GLN 50 far 3 29 10 - 4.5-7.7 HD22 ASN 51 - HB3 GLU 48 far 0 40 0 - 6.0-10.5 Violated in 0 structures by 0.00 A. Peak 4378 from cnoeabs.peaks (4.19, 2.04, 29.32 ppm; 3.62 A): 2 out of 6 assignments used, quality = 1.00: * HA GLU 98 + HB3 GLU 98 OK 100 100 100 100 2.3-2.5 3.0=100 HA GLU 98 + HB2 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HA MET 1 - HB2 GLN 50 far 0 29 0 - 5.3-9.5 HA GLU 98 - HB2 GLU 99 far 0 100 0 - 5.4-6.6 HA GLU 98 - HB3 GLU 99 far 0 99 0 - 5.6-6.6 HA MET 1 - HB3 GLU 48 far 0 40 0 - 7.2-11.5 Violated in 0 structures by 0.00 A. Peak 4379 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 98 98 - 100 HB3 GLU 43 + HB3 GLU 43 OK 67 67 - 100 HB3 GLU 48 + HB3 GLU 48 OK 61 61 - 100 HB2 GLN 50 + HB2 GLN 50 OK 36 36 - 100 Reference assignment not found: HB2 GLU 98 - HB3 GLU 98 Peak 4380 from cnoeabs.peaks (2.04, 2.04, 29.32 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 98 98 - 100 HB3 GLU 43 + HB3 GLU 43 OK 66 66 - 100 HB3 GLU 48 + HB3 GLU 48 OK 61 61 - 100 HB2 GLN 50 + HB2 GLN 50 OK 37 37 - 100 Peak 4381 from cnoeabs.peaks (2.21, 2.04, 29.32 ppm; 2.76 A): 5 out of 19 assignments used, quality = 1.00: HG2 GLU 99 + HB2 GLU 99 OK 94 99 100 95 2.2-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 93 98 100 95 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB2 GLU 98 OK 93 100 100 93 2.6-3.0 3.0=77, 4365/3.0=35...(12) * HG2 GLU 98 + HB3 GLU 98 OK 93 100 100 93 2.3-2.6 3.0=77, 4365/3.0=35...(11) HG2 GLU 43 + HB3 GLU 43 OK 53 58 100 91 2.2-2.7 3.0=77, 6695/6694=20...(15) HG2 GLU 99 - HB2 GLU 98 poor 9 100 25 38 2.9-7.2 7611/4.6=9, 4402/4400=6...(17) HG2 GLU 99 - HB3 GLU 98 far 5 100 5 - 3.9-8.4 HB2 GLU 95 - HB3 GLU 99 far 0 97 0 - 5.2-7.5 HB2 GLU 95 - HB2 GLU 98 far 0 98 0 - 5.4-6.6 HB2 GLU 95 - HB2 GLU 99 far 0 98 0 - 5.5-7.5 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.6-8.4 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.6-8.1 HG2 MET 1 - HB2 GLN 50 far 0 39 0 - 6.8-11.9 HB2 GLU 95 - HB3 GLU 98 far 0 99 0 - 7.0-8.3 HB3 GLU 75 - HB2 GLN 50 far 0 32 0 - 7.9-14.3 HG2 MET 1 - HB3 GLU 48 far 0 54 0 - 7.9-12.0 HG2 MET 1 - HB2 GLU 99 far 0 94 0 - 8.6-11.7 HG2 MET 1 - HB3 GLU 99 far 0 93 0 - 8.7-12.8 HG2 MET 1 - HB3 GLU 98 far 0 95 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 4382 from cnoeabs.peaks (2.47, 2.04, 29.32 ppm; 3.34 A): 5 out of 11 assignments used, quality = 1.00: HG3 GLU 98 + HB2 GLU 98 OK 100 100 100 100 2.3-2.6 3.0=100 * HG3 GLU 98 + HB3 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 67 67 100 100 2.4-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 65 65 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 98 OK 22 67 85 38 2.9-6.8 4428/4.6=16, 4.1/4400=9...(7) HG3 GLU 99 - HB3 GLU 98 poor 15 68 55 41 4.1-7.7 4428/4.6=16, 4.1/4400=8...(13) HG3 GLU 98 - HB3 GLU 99 far 0 99 0 - 5.7-7.5 HG3 GLU 98 - HB2 GLU 99 far 0 100 0 - 5.9-7.7 HB3 ASP 36 - HB3 GLU 43 far 0 49 0 - 8.1-11.5 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 8.7-13.1 HB2 ASP 36 - HB3 GLU 43 far 0 51 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 4383 from cnoeabs.peaks (7.79, 2.04, 29.32 ppm; 3.30 A): 4 out of 7 assignments used, quality = 1.00: H GLU 99 + HB2 GLU 99 OK 94 100 100 94 2.1-3.6 3.9=62, 4428/3.0=42...(11) H GLU 99 + HB3 GLU 99 OK 94 99 100 94 2.3-3.6 3.9=62, 4428/3.0=42...(12) H GLU 99 + HB2 GLU 98 OK 90 100 100 90 2.0-3.2 4.6=37, 7595/4.0=37...(16) * H GLU 99 + HB3 GLU 98 OK 89 100 100 89 3.1-4.3 4.6=37, 7595/4.0=37...(13) H TYR 41 - HB3 GLU 43 far 0 55 0 - 5.0-7.1 HE ARG 30 - HB3 GLU 43 far 0 78 0 - 8.1-13.9 HE ARG 30 - HB3 GLU 48 far 0 61 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 4384 from cnoeabs.peaks (7.66, 2.21, 36.00 ppm; 4.48 A): 3 out of 5 assignments used, quality = 1.00: * H GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.7-4.0 2.9/4365=84, 7594/1.8=81...(9) H GLU 98 + HG2 GLU 99 OK 54 99 60 91 3.6-6.4 7595/4.7=56, 7596/4.7=36...(10) H LYS 40 + HG2 GLU 43 OK 31 33 100 95 3.9-5.8 6638/10591=34, ~1956=22...(25) H MET 21 - HG2 GLU 17 far 0 40 0 - 6.8-8.0 H SER 85 - HG2 GLU 17 far 0 36 0 - 8.9-11.5 Violated in 0 structures by 0.00 A. Peak 4385 from cnoeabs.peaks (4.19, 2.21, 36.00 ppm; 3.97 A): 1 out of 7 assignments used, quality = 1.00: * HA GLU 98 + HG2 GLU 98 OK 100 100 100 100 2.5-3.6 3.9=100 HA GLU 98 - HG2 GLU 99 poor 20 99 20 - 5.2-7.6 HA LYS 13 - HG2 GLU 17 poor 10 36 60 46 4.1-5.7 3186/1.8=15...(7) HA ASP 87 - HG2 GLU 17 far 5 32 15 - 5.2-7.8 HB3 SER 85 - HG2 GLU 17 far 0 60 0 - 6.8-10.1 HA LYS 73 - HG2 GLU 43 far 0 37 0 - 8.4-11.6 HA GLN 72 - HG2 GLU 43 far 0 24 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 4386 from cnoeabs.peaks (2.04, 2.21, 36.00 ppm; 2.81 A): 6 out of 20 assignments used, quality = 1.00: HB2 GLU 99 + HG2 GLU 99 OK 96 99 100 96 2.2-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 95 99 100 96 2.3-3.0 3.0=84, 3.0/4402=30...(15) * HB2 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.6-3.0 3.0=81, 3.0/4365=36...(12) HB3 GLU 98 + HG2 GLU 98 OK 94 100 100 94 2.3-2.6 3.0=81, 3.0/4365=36...(11) HB3 GLU 43 + HG2 GLU 43 OK 33 35 100 94 2.2-2.7 3.0=82, 1975/1.8=22...(19) HB3 GLU 17 + HG2 GLU 17 OK 28 30 100 94 2.2-3.0 3.0=82, 2.9/729=19...(11) HB2 GLU 98 - HG2 GLU 99 poor 10 99 25 40 2.9-7.2 4.6/7606=10, 4400/4402=6...(17) HB3 LYS 94 - HG2 GLU 98 far 9 90 10 - 4.3-7.7 HB2 GLU 16 - HG2 GLU 17 poor 8 38 20 - 3.1-6.2 HB3 GLU 98 - HG2 GLU 99 far 5 99 5 - 3.9-8.4 HB2 MET 74 - HG2 GLU 43 far 4 36 10 - 2.9-7.5 HB3 LYS 94 - HG2 GLU 99 far 0 88 0 - 6.5-10.4 HB2 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.6-8.4 HB3 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.6-8.1 HB3 LEU 38 - HG2 GLU 43 far 0 29 0 - 7.5-10.0 HB2 MET 21 - HG2 GLU 17 far 0 59 0 - 8.0-9.6 HB2 MET 21 - HG2 GLU 98 far 0 100 0 - 9.2-12.3 HB3 GLU 88 - HG2 GLU 17 far 0 36 0 - 9.3-11.4 HB3 GLU 35 - HG2 GLU 43 far 0 22 0 - 9.7-12.3 HG12 ILE 93 - HG2 GLU 99 far 0 99 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4387 from cnoeabs.peaks (2.04, 2.21, 36.00 ppm; 2.81 A): 6 out of 20 assignments used, quality = 1.00: HB2 GLU 99 + HG2 GLU 99 OK 96 99 100 96 2.2-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 95 99 100 96 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 98 + HG2 GLU 98 OK 95 100 100 95 2.6-3.0 3.0=81, 3.0/4365=36...(12) * HB3 GLU 98 + HG2 GLU 98 OK 94 100 100 94 2.3-2.6 3.0=81, 3.0/4365=36...(11) HB3 GLU 43 + HG2 GLU 43 OK 32 34 100 94 2.2-2.7 3.0=82, 1975/1.8=21...(19) HB3 GLU 17 + HG2 GLU 17 OK 29 31 100 94 2.2-3.0 3.0=82, 2.9/729=19...(11) HB2 GLU 98 - HG2 GLU 99 poor 10 99 25 40 2.9-7.2 4.6/7606=10, 4400/4402=6...(17) HB3 LYS 94 - HG2 GLU 98 far 9 91 10 - 4.3-7.7 HB2 GLU 16 - HG2 GLU 17 poor 7 37 20 - 3.1-6.2 HB3 GLU 98 - HG2 GLU 99 far 5 99 5 - 3.9-8.4 HB2 MET 74 - HG2 GLU 43 far 4 35 10 - 2.9-7.5 HB3 LYS 94 - HG2 GLU 99 far 0 89 0 - 6.5-10.4 HB2 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.6-8.4 HB3 GLU 99 - HG2 GLU 98 far 0 100 0 - 6.6-8.1 HB3 LEU 38 - HG2 GLU 43 far 0 28 0 - 7.5-10.0 HB2 MET 21 - HG2 GLU 17 far 0 59 0 - 8.0-9.6 HB2 MET 21 - HG2 GLU 98 far 0 100 0 - 9.2-12.3 HB3 GLU 88 - HG2 GLU 17 far 0 35 0 - 9.3-11.4 HB3 GLU 35 - HG2 GLU 43 far 0 21 0 - 9.7-12.3 HG12 ILE 93 - HG2 GLU 99 far 0 99 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4388 from cnoeabs.peaks (2.21, 2.21, 36.00 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 98 + HG2 GLU 98 OK 100 100 - 100 HG2 GLU 99 + HG2 GLU 99 OK 99 99 - 100 HG2 GLU 17 + HG2 GLU 17 OK 40 40 - 100 HG2 GLU 43 + HG2 GLU 43 OK 29 29 - 100 Peak 4389 from cnoeabs.peaks (2.47, 2.21, 36.00 ppm; 2.69 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLU 98 + HG2 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 99 + HG2 GLU 99 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 GLU 98 - HG2 GLU 99 far 0 99 0 - 4.8-8.3 HG3 GLU 99 - HG2 GLU 98 far 0 68 0 - 5.8-8.5 HB3 ASP 87 - HG2 GLU 17 far 0 46 0 - 6.1-10.1 HB2 ASP 87 - HG2 GLU 17 far 0 46 0 - 6.3-9.5 HB3 ASP 36 - HG2 GLU 43 far 0 24 0 - 6.9-10.4 HB2 ASP 36 - HG2 GLU 43 far 0 25 0 - 7.5-11.3 HD2 ARG 91 - HG2 GLU 17 far 0 56 0 - 7.6-10.9 Violated in 0 structures by 0.00 A. Peak 4390 from cnoeabs.peaks (7.79, 2.21, 36.00 ppm; 4.05 A): 2 out of 5 assignments used, quality = 1.00: H GLU 99 + HG2 GLU 99 OK 99 99 100 100 1.9-4.4 4428/1.8=79, 3.0/4402=64...(13) * H GLU 99 + HG2 GLU 98 OK 98 100 100 98 4.5-5.0 3.6/4365=63, 4.9=55...(13) H TYR 41 - HG2 GLU 43 poor 15 28 85 64 5.1-6.7 6666/10591=32...(10) H LYS 20 - HG2 GLU 17 far 0 60 0 - 6.0-7.5 HE ARG 30 - HG2 GLU 43 far 0 42 0 - 9.5-15.3 Violated in 0 structures by 0.00 A. Peak 4391 from cnoeabs.peaks (7.66, 2.47, 36.00 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 98 + HG3 GLU 98 OK 100 100 100 100 1.9-2.7 7594=84, 2.9/4366=75...(13) H MET 21 + HG3 GLU 23 OK 32 51 100 63 4.4-5.6 6339/6368=29...(8) Violated in 0 structures by 0.00 A. Peak 4392 from cnoeabs.peaks (4.19, 2.47, 36.00 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.9-3.6 3.9=100 Violated in 0 structures by 0.00 A. Peak 4393 from cnoeabs.peaks (2.04, 2.47, 36.00 ppm; 3.44 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.3-2.6 3.0=100 HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 94 - HG3 GLU 98 poor 15 90 75 22 2.8-6.2 2.9/10465=9, 2.9/12257=8...(4) HG2 GLU 28 - HG3 GLU 23 far 3 63 5 - 4.4-8.4 HG3 GLU 28 - HG3 GLU 23 far 0 63 0 - 5.4-9.1 HB3 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.7-7.5 HB2 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.9-7.7 HB2 MET 21 - HG3 GLU 23 far 0 72 0 - 6.2-8.2 HG12 ILE 93 - HG3 GLU 23 far 0 72 0 - 8.0-10.4 HB2 MET 21 - HG3 GLU 98 far 0 100 0 - 8.2-11.3 HB2 GLU 16 - HG3 GLU 23 far 0 48 0 - 8.5-10.2 HB3 GLU 17 - HG3 GLU 23 far 0 38 0 - 9.1-10.6 HG12 ILE 93 - HG3 GLU 98 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 4394 from cnoeabs.peaks (2.04, 2.47, 36.00 ppm; 3.44 A): 2 out of 13 assignments used, quality = 1.00: HB2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 2.3-2.6 3.0=100 * HB3 GLU 98 + HG3 GLU 98 OK 100 100 100 100 3.0-3.0 3.0=100 HB3 LYS 94 - HG3 GLU 98 poor 15 91 75 22 2.8-6.2 2.9/10465=9, 2.9/12257=8...(4) HG2 GLU 28 - HG3 GLU 23 far 3 62 5 - 4.4-8.4 HG3 GLU 28 - HG3 GLU 23 far 0 62 0 - 5.4-9.1 HB3 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.7-7.5 HB2 GLU 99 - HG3 GLU 98 far 0 100 0 - 5.9-7.7 HB2 MET 21 - HG3 GLU 23 far 0 72 0 - 6.2-8.2 HG12 ILE 93 - HG3 GLU 23 far 0 72 0 - 8.0-10.4 HB2 MET 21 - HG3 GLU 98 far 0 100 0 - 8.2-11.3 HB2 GLU 16 - HG3 GLU 23 far 0 46 0 - 8.5-10.2 HB3 GLU 17 - HG3 GLU 23 far 0 39 0 - 9.1-10.6 HG12 ILE 93 - HG3 GLU 98 far 0 100 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 4395 from cnoeabs.peaks (2.21, 2.47, 36.00 ppm; 2.75 A): 1 out of 3 assignments used, quality = 1.00: * HG2 GLU 98 + HG3 GLU 98 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 99 - HG3 GLU 98 far 0 100 0 - 4.8-8.3 HB2 GLU 95 - HG3 GLU 98 far 0 99 0 - 5.6-6.9 Violated in 0 structures by 0.00 A. Peak 4396 from cnoeabs.peaks (2.47, 2.47, 36.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + HG3 GLU 98 OK 100 100 - 100 HG3 GLU 23 + HG3 GLU 23 OK 65 65 - 100 Peak 4397 from cnoeabs.peaks (7.79, 2.47, 36.00 ppm; 5.10 A): 2 out of 4 assignments used, quality = 1.00: * H GLU 99 + HG3 GLU 98 OK 100 100 100 100 3.7-4.1 4.9=100 H LYS 20 + HG3 GLU 23 OK 73 73 100 99 4.0-4.9 4.9/12291=47...(25) H GLU 28 - HG3 GLU 23 far 7 73 10 - 6.4-8.6 HE ARG 30 - HG3 GLU 23 far 0 72 0 - 7.5-13.7 Violated in 0 structures by 0.00 A. Peak 4398 from cnoeabs.peaks (7.79, 4.12, 57.30 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 99 + HA GLU 99 OK 100 100 100 100 2.7-2.9 3.0=100 Violated in 0 structures by 0.00 A. Peak 4399 from cnoeabs.peaks (4.12, 4.12, 57.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 99 + HA GLU 99 OK 100 100 - 100 Peak 4400 from cnoeabs.peaks (2.04, 4.12, 57.30 ppm; 3.28 A): 4 out of 5 assignments used, quality = 1.00: * HB2 GLU 99 + HA GLU 99 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 99 + HA GLU 99 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 98 + HA GLU 99 OK 83 100 100 83 4.0-4.2 4407=22, 1.8/4407=15...(20) HB3 GLU 98 + HA GLU 99 OK 78 100 95 82 4.3-5.0 4407=21, 1.8/4407=16...(19) HB3 LYS 94 - HA GLU 99 far 0 91 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 4401 from cnoeabs.peaks (2.04, 4.12, 57.30 ppm; 3.28 A): 4 out of 6 assignments used, quality = 1.00: * HB3 GLU 99 + HA GLU 99 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 99 + HA GLU 99 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 98 + HA GLU 99 OK 83 100 100 83 4.0-4.2 4407=22, 1.8/4407=15...(21) HB3 GLU 98 + HA GLU 99 OK 78 100 95 82 4.3-5.0 4415=21, 1.8/4407=16...(20) HB3 LYS 94 - HA GLU 99 far 0 96 0 - 8.4-11.0 HB3 MET 1 - HA GLU 99 far 0 68 0 - 8.5-12.4 Violated in 0 structures by 0.00 A. Peak 4402 from cnoeabs.peaks (2.22, 4.12, 57.30 ppm; 3.81 A): 1 out of 4 assignments used, quality = 0.99: * HG2 GLU 99 + HA GLU 99 OK 99 100 100 99 2.8-4.0 4.1=81, 1.8/4429=41...(19) HG2 GLU 98 - HA GLU 99 far 0 100 0 - 6.4-6.6 HB2 GLU 95 - HA GLU 99 far 0 95 0 - 7.0-8.3 HG2 MET 1 - HA GLU 99 far 0 88 0 - 9.0-11.5 Violated in 2 structures by 0.01 A. Peak 4403 from cnoeabs.peaks (2.44, 4.12, 57.30 ppm; 4.22 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 99 + HA GLU 99 OK 100 100 100 100 2.5-3.8 4.1=100 HG3 GLU 98 - HA GLU 99 far 0 68 0 - 6.0-6.4 HG3 MET 1 - HA GLU 99 far 0 92 0 - 8.8-11.7 Violated in 0 structures by 0.00 A. Peak 4404 from cnoeabs.peaks (8.14, 4.12, 57.30 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 100 + HA GLU 99 OK 100 100 100 100 3.3-3.6 3.6=100 H HIS 106 - HA GLU 99 far 0 96 0 - 8.4-18.3 Violated in 0 structures by 0.00 A. Peak 4405 from cnoeabs.peaks (4.51, 2.04, 29.37 ppm; 4.24 A): 4 out of 6 assignments used, quality = 1.00: * HA PHE 96 + HB2 GLU 99 OK 93 100 100 93 1.9-5.3 11025/3.0=46...(8) HA PHE 96 + HB3 GLU 99 OK 92 99 100 93 2.7-5.3 11025/3.0=46...(8) HA PHE 45 + HB3 GLU 48 OK 43 70 65 96 2.4-6.1 10190/6792=52...(11) HA PHE 96 + HB2 GLU 98 OK 22 100 30 73 5.4-6.2 7585/4.0=41, 7599/4.6=39...(6) HA PHE 96 - HB3 GLU 98 far 0 100 0 - 6.9-7.7 HA PHE 45 - HB3 GLU 43 far 0 74 0 - 7.4-7.6 Violated in 0 structures by 0.00 A. Peak 4406 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.30 A): 4 out of 7 assignments used, quality = 1.00: * H GLU 99 + HB2 GLU 99 OK 94 100 100 94 2.1-3.6 3.9=62, 4428/3.0=42...(11) H GLU 99 + HB3 GLU 99 OK 94 99 100 94 2.3-3.6 3.9=62, 4428/3.0=42...(12) H GLU 99 + HB2 GLU 98 OK 90 100 100 90 2.0-3.2 4.6=37, 7595/4.0=37...(16) H GLU 99 + HB3 GLU 98 OK 89 100 100 89 3.1-4.3 4.6=37, 7595/4.0=37...(13) H TYR 41 - HB3 GLU 43 far 0 53 0 - 5.0-7.1 HE ARG 30 - HB3 GLU 43 far 0 75 0 - 8.1-13.9 HE ARG 30 - HB3 GLU 48 far 0 70 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 4407 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.31 A): 4 out of 11 assignments used, quality = 1.00: * HA GLU 99 + HB2 GLU 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 99 + HB3 GLU 99 OK 99 99 100 100 2.3-3.0 3.0=100 HA GLU 99 + HB2 GLU 98 OK 84 100 100 84 4.0-4.2 4400=23, 4401/1.8=16...(21) HA GLU 99 + HB3 GLU 98 OK 79 100 95 83 4.3-5.0 4400=22, 4400/1.8=16...(20) HA GLU 104 - HB2 GLU 99 far 0 100 0 - 4.9-10.6 HA LYS 47 - HB3 GLU 48 far 0 60 0 - 5.5-6.6 HA GLU 104 - HB3 GLU 99 far 0 99 0 - 5.5-11.2 HA MET 1 - HB3 GLU 48 far 0 42 0 - 7.2-11.5 HA GLU 104 - HB2 GLU 98 far 0 100 0 - 7.2-14.9 HA LYS 47 - HB3 GLU 43 far 0 64 0 - 7.3-9.0 HA GLU 104 - HB3 GLU 98 far 0 100 0 - 8.5-16.2 Violated in 0 structures by 0.00 A. Peak 4408 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB3 GLU 99 + HB3 GLU 99 OK 99 99 - 100 HB3 GLU 48 + HB3 GLU 48 OK 71 71 - 100 HB3 GLU 43 + HB3 GLU 43 OK 63 63 - 100 Peak 4409 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB2 GLU 99 + HB2 GLU 99 OK 100 100 - 100 HB3 GLU 98 + HB3 GLU 98 OK 99 99 - 100 HB3 GLU 99 + HB3 GLU 99 OK 99 99 - 100 HB2 GLU 98 + HB2 GLU 98 OK 99 99 - 100 HB3 GLU 48 + HB3 GLU 48 OK 68 68 - 100 HB3 GLU 43 + HB3 GLU 43 OK 56 56 - 100 Reference assignment not found: HB3 GLU 99 - HB2 GLU 99 Peak 4410 from cnoeabs.peaks (2.22, 2.04, 29.37 ppm; 2.76 A): 5 out of 17 assignments used, quality = 1.00: * HG2 GLU 99 + HB2 GLU 99 OK 95 100 100 95 2.2-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB3 GLU 99 OK 94 99 100 95 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB2 GLU 98 OK 92 99 100 93 2.6-3.0 3.0=77, 4365/3.0=35...(12) HG2 GLU 98 + HB3 GLU 98 OK 92 99 100 93 2.3-2.6 3.0=77, 4365/3.0=35...(11) HG2 GLU 43 + HB3 GLU 43 OK 42 47 100 90 2.2-2.7 3.0=77, 6695/6694=17...(15) HG2 GLU 99 - HB2 GLU 98 poor 9 100 25 38 2.9-7.2 7611/4.6=9, 4402/4400=6...(17) HG2 GLU 99 - HB3 GLU 98 far 5 100 5 - 3.9-8.4 HB2 GLU 95 - HB3 GLU 99 far 0 93 0 - 5.2-7.5 HB2 GLU 95 - HB2 GLU 98 far 0 94 0 - 5.4-6.6 HB2 GLU 95 - HB2 GLU 99 far 0 95 0 - 5.5-7.5 HG2 GLU 98 - HB2 GLU 99 far 0 100 0 - 6.6-8.4 HG2 GLU 98 - HB3 GLU 99 far 0 99 0 - 6.6-8.1 HB2 GLU 95 - HB3 GLU 98 far 0 94 0 - 7.0-8.3 HG2 MET 1 - HB3 GLU 48 far 0 56 0 - 7.9-12.0 HG2 MET 1 - HB2 GLU 99 far 0 88 0 - 8.6-11.7 HG2 MET 1 - HB3 GLU 99 far 0 86 0 - 8.7-12.8 HG2 MET 1 - HB3 GLU 98 far 0 88 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 4411 from cnoeabs.peaks (2.44, 2.04, 29.37 ppm; 3.07 A): 7 out of 16 assignments used, quality = 1.00: * HG3 GLU 99 + HB2 GLU 99 OK 100 100 100 100 2.4-3.0 3.0=100 HG3 GLU 99 + HB3 GLU 99 OK 99 99 100 100 2.2-3.0 3.0=100 HG3 GLU 48 + HB3 GLU 48 OK 69 69 100 100 2.2-3.0 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 67 67 100 100 3.0-3.0 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 67 67 100 100 2.3-2.6 3.0=100 HG3 GLU 99 + HB2 GLU 98 OK 30 100 70 42 2.9-6.8 4428/4.6=22, 4.1/4400=7...(8) HG3 GLU 99 + HB3 GLU 98 OK 22 100 50 44 4.1-7.7 4428/4.6=22, 4.1/4400=7...(7) HG2 GLN 50 - HB3 GLU 48 far 2 36 5 - 4.5-9.6 HG3 GLN 50 - HB3 GLU 48 far 0 70 0 - 5.1-10.5 HG3 GLU 98 - HB3 GLU 99 far 0 66 0 - 5.7-7.5 HG3 GLU 98 - HB2 GLU 99 far 0 68 0 - 5.9-7.7 HG3 MET 1 - HB3 GLU 48 far 0 60 0 - 8.3-12.2 HB3 TYR 4 - HB3 GLU 48 far 0 60 0 - 8.7-13.1 HG3 MET 1 - HB3 GLU 99 far 0 90 0 - 8.8-12.7 HG3 MET 1 - HB2 GLU 99 far 0 92 0 - 9.0-11.7 HG3 GLU 48 - HB3 GLU 43 far 0 74 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 4412 from cnoeabs.peaks (8.14, 2.04, 29.37 ppm; 4.43 A): 4 out of 7 assignments used, quality = 1.00: * H GLY 100 + HB2 GLU 99 OK 99 100 100 99 2.2-4.3 4.7=87, 7619/3.9=60...(14) H GLY 100 + HB3 GLU 99 OK 99 99 100 99 2.2-4.1 4.7=87, 7619/3.9=60...(15) H GLY 100 + HB2 GLU 98 OK 96 100 100 96 4.4-5.5 7619/4.6=50, 7618/3.0=46...(14) H GLY 100 + HB3 GLU 98 OK 86 100 90 96 5.0-6.0 7619/4.6=50, 7618/3.0=46...(13) H HIS 106 - HB2 GLU 99 far 0 96 0 - 6.5-16.8 H HIS 106 - HB3 GLU 99 far 0 94 0 - 6.6-16.1 H TRP 92 - HB2 GLU 99 far 0 100 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4413 from cnoeabs.peaks (4.51, 2.04, 29.37 ppm; 4.24 A): 4 out of 7 assignments used, quality = 1.00: * HA PHE 96 + HB3 GLU 99 OK 93 100 100 93 2.7-5.3 11025/3.0=46...(8) HA PHE 96 + HB2 GLU 99 OK 92 99 100 93 1.9-5.3 11025/3.0=46...(8) HA PHE 45 + HB3 GLU 48 OK 41 65 65 96 2.4-6.1 10190/6792=51...(12) HA PHE 96 + HB2 GLU 98 OK 21 99 30 72 5.4-6.2 7585/4.0=41, 7599/4.6=39...(6) HA PHE 96 - HB3 GLU 98 far 0 99 0 - 6.9-7.7 HA PHE 45 - HB3 GLU 43 far 0 60 0 - 7.4-7.6 HA LYS 33 - HB2 GLU 35 far 0 47 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 4414 from cnoeabs.peaks (7.79, 2.04, 29.37 ppm; 3.30 A): 4 out of 9 assignments used, quality = 1.00: * H GLU 99 + HB3 GLU 99 OK 94 100 100 94 2.3-3.6 3.9=62, 4428/3.0=42...(11) H GLU 99 + HB2 GLU 99 OK 94 99 100 94 2.1-3.6 3.9=62, 4428/3.0=42...(10) H GLU 99 + HB2 GLU 98 OK 89 99 100 90 2.0-3.2 4.6=37, 7595/4.0=37...(16) H GLU 99 + HB3 GLU 98 OK 88 99 100 89 3.1-4.3 4.6=37, 7595/4.0=37...(13) H TYR 41 - HB3 GLU 43 far 0 41 0 - 5.0-7.1 H LYS 66 - HB2 GLU 35 far 0 56 0 - 6.5-8.9 HE ARG 30 - HB3 GLU 43 far 0 61 0 - 8.1-13.9 H TYR 41 - HB2 GLU 35 far 0 38 0 - 9.3-10.6 HE ARG 30 - HB3 GLU 48 far 0 66 0 - 9.5-18.6 Violated in 0 structures by 0.00 A. Peak 4415 from cnoeabs.peaks (4.12, 2.04, 29.37 ppm; 3.31 A): 4 out of 12 assignments used, quality = 1.00: * HA GLU 99 + HB3 GLU 99 OK 100 100 100 100 2.3-3.0 3.0=100 HA GLU 99 + HB2 GLU 99 OK 99 99 100 100 2.3-3.0 3.0=100 HA GLU 99 + HB2 GLU 98 OK 83 99 100 84 4.0-4.2 4401=23, 4401/1.8=16...(21) HA GLU 99 + HB3 GLU 98 OK 78 99 95 83 4.3-5.0 4401=22, 4400/1.8=16...(20) HA GLU 104 - HB2 GLU 99 far 0 99 0 - 4.9-10.6 HA LYS 47 - HB3 GLU 48 far 0 56 0 - 5.5-6.6 HA GLU 104 - HB3 GLU 99 far 0 100 0 - 5.5-11.2 HA MET 1 - HB3 GLU 48 far 0 39 0 - 7.2-11.5 HA GLU 104 - HB2 GLU 98 far 0 99 0 - 7.2-14.9 HA LYS 47 - HB3 GLU 43 far 0 51 0 - 7.3-9.0 HA GLU 62 - HB2 GLU 35 far 0 57 0 - 8.5-11.2 HA GLU 104 - HB3 GLU 98 far 0 99 0 - 8.5-16.2 Violated in 0 structures by 0.00 A. Peak 4416 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HB3 GLU 99 + HB3 GLU 99 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 99 99 - 100 HB3 GLU 98 + HB3 GLU 98 OK 99 99 - 100 HB2 GLU 98 + HB2 GLU 98 OK 99 99 - 100 HB3 GLU 48 + HB3 GLU 48 OK 66 66 - 100 HB3 GLU 43 + HB3 GLU 43 OK 50 50 - 100 HB2 GLU 35 + HB2 GLU 35 OK 31 31 - 100 Reference assignment not found: HB2 GLU 99 - HB3 GLU 99 Peak 4417 from cnoeabs.peaks (2.04, 2.04, 29.37 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB3 GLU 99 + HB3 GLU 99 OK 100 100 - 100 HB2 GLU 99 + HB2 GLU 99 OK 99 99 - 100 HB3 GLU 98 + HB3 GLU 98 OK 98 98 - 100 HB2 GLU 98 + HB2 GLU 98 OK 98 98 - 100 HB3 GLU 48 + HB3 GLU 48 OK 64 64 - 100 HB3 GLU 43 + HB3 GLU 43 OK 44 44 - 100 HB2 GLU 35 + HB2 GLU 35 OK 37 37 - 100 Peak 4418 from cnoeabs.peaks (2.22, 2.04, 29.37 ppm; 2.76 A): 7 out of 21 assignments used, quality = 1.00: * HG2 GLU 99 + HB3 GLU 99 OK 95 100 100 95 2.3-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 99 + HB2 GLU 99 OK 94 99 100 95 2.2-3.0 3.0=80, 4402/3.0=29...(15) HG2 GLU 98 + HB3 GLU 98 OK 91 98 100 93 2.3-2.6 3.0=77, 4365/3.0=35...(11) HG2 GLU 98 + HB2 GLU 98 OK 91 98 100 93 2.6-3.0 3.0=77, 4365/3.0=35...(11) HG2 GLU 35 + HB2 GLU 35 OK 41 43 100 97 2.4-3.0 2.9=82, 1558/1.8=21...(22) HG3 GLU 35 + HB2 GLU 35 OK 41 43 100 97 2.5-3.0 2.9=82, 1558/1.8=21...(22) HG2 GLU 43 + HB3 GLU 43 OK 33 37 100 89 2.2-2.7 3.0=77, 6695/4.0=15...(15) HG2 GLU 99 - HB2 GLU 98 poor 9 99 25 38 2.9-7.2 7611/4.6=9, 4402/4401=6...(17) HG2 GLU 99 - HB3 GLU 98 far 5 99 5 - 3.9-8.4 HB2 GLU 95 - HB3 GLU 99 far 0 95 0 - 5.2-7.5 HB2 GLU 95 - HB2 GLU 98 far 0 92 0 - 5.4-6.6 HB2 GLU 95 - HB2 GLU 99 far 0 93 0 - 5.5-7.5 HG2 GLU 37 - HB2 GLU 35 far 0 29 0 - 6.4-8.5 HG2 GLU 98 - HB2 GLU 99 far 0 99 0 - 6.6-8.4 HG2 GLU 98 - HB3 GLU 99 far 0 100 0 - 6.6-8.1 HB2 GLU 95 - HB3 GLU 98 far 0 93 0 - 7.0-8.3 HB2 GLU 63 - HB2 GLU 35 far 0 44 0 - 7.7-9.8 HG2 MET 1 - HB3 GLU 48 far 0 53 0 - 7.9-12.0 HG2 MET 1 - HB2 GLU 99 far 0 86 0 - 8.6-11.7 HG2 MET 1 - HB3 GLU 99 far 0 88 0 - 8.7-12.8 HG2 MET 1 - HB3 GLU 98 far 0 86 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 4419 from cnoeabs.peaks (2.44, 2.04, 29.37 ppm; 3.07 A): 7 out of 16 assignments used, quality = 1.00: * HG3 GLU 99 + HB3 GLU 99 OK 100 100 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 99 OK 99 99 100 100 2.4-3.0 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 65 65 100 100 3.0-3.0 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 64 64 100 100 2.3-2.6 3.0=100 HG3 GLU 48 + HB3 GLU 48 OK 64 64 100 100 2.2-3.0 3.0=100 HG3 GLU 99 + HB2 GLU 98 OK 29 99 70 42 2.9-6.8 4428/4.6=22, 4.1/4401=7...(8) HG3 GLU 99 + HB3 GLU 98 OK 22 99 50 44 4.1-7.7 4428/4.6=22, 4.1/4401=7...(7) HG2 GLN 50 - HB3 GLU 48 far 2 34 5 - 4.5-9.6 HG3 GLN 50 - HB3 GLU 48 far 0 65 0 - 5.1-10.5 HG3 GLU 98 - HB3 GLU 99 far 0 68 0 - 5.7-7.5 HG3 GLU 98 - HB2 GLU 99 far 0 66 0 - 5.9-7.7 HG3 MET 1 - HB3 GLU 48 far 0 56 0 - 8.3-12.2 HB3 TYR 4 - HB3 GLU 48 far 0 56 0 - 8.7-13.1 HG3 MET 1 - HB3 GLU 99 far 0 92 0 - 8.8-12.7 HG3 MET 1 - HB2 GLU 99 far 0 90 0 - 9.0-11.7 HG3 GLU 48 - HB3 GLU 43 far 0 59 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 4420 from cnoeabs.peaks (8.14, 2.04, 29.37 ppm; 4.43 A): 4 out of 7 assignments used, quality = 1.00: * H GLY 100 + HB3 GLU 99 OK 99 100 100 99 2.2-4.1 4.7=87, 7619/3.9=60...(15) H GLY 100 + HB2 GLU 99 OK 99 99 100 99 2.2-4.3 4.7=87, 7619/3.9=60...(14) H GLY 100 + HB2 GLU 98 OK 95 99 100 96 4.4-5.5 7619/4.6=50, 7618/3.0=46...(14) H GLY 100 + HB3 GLU 98 OK 85 99 90 96 5.0-6.0 7619/4.6=50, 7618/3.0=46...(13) H HIS 106 - HB2 GLU 99 far 0 94 0 - 6.5-16.8 H HIS 106 - HB3 GLU 99 far 0 96 0 - 6.6-16.1 H TRP 92 - HB2 GLU 99 far 0 99 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 4421 from cnoeabs.peaks (7.79, 2.22, 36.00 ppm; 4.05 A): 2 out of 3 assignments used, quality = 1.00: * H GLU 99 + HG2 GLU 99 OK 100 100 100 100 1.9-4.4 4428/1.8=79, 3.0/4402=65...(13) H GLU 99 + HG2 GLU 98 OK 98 99 100 98 4.5-5.0 3.6/4365=63, 4.9=55...(13) H LYS 20 - HG2 GLU 17 far 0 76 0 - 6.0-7.5 Violated in 0 structures by 0.00 A. Peak 4422 from cnoeabs.peaks (4.12, 2.22, 36.00 ppm; 3.89 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 99 + HG2 GLU 99 OK 100 100 100 100 2.8-4.0 4402=100, 4429/1.8=42...(19) HA LYS 13 - HG2 GLU 17 poor 17 50 60 55 4.1-5.7 4429/1.8=19...(10) HA PRO 86 - HG2 GLU 17 poor 13 47 50 56 4.4-6.3 ~12333=19, 8422/8477=14...(11) HA GLU 104 - HG2 GLU 99 far 5 100 5 - 3.7-12.1 HA GLU 99 - HG2 GLU 98 far 0 99 0 - 6.4-6.6 HA LYS 24 - HG2 GLU 98 far 0 88 0 - 9.6-12.3 Violated in 1 structures by 0.01 A. Peak 4423 from cnoeabs.peaks (2.04, 2.22, 36.00 ppm; 2.81 A): 5 out of 16 assignments used, quality = 1.00: * HB2 GLU 99 + HG2 GLU 99 OK 96 100 100 96 2.2-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 99 + HG2 GLU 99 OK 96 100 100 96 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 98 + HG2 GLU 98 OK 94 99 100 95 2.6-3.0 3.0=81, 3.0/4365=36...(12) HB3 GLU 98 + HG2 GLU 98 OK 94 99 100 94 2.3-2.6 3.0=81, 3.0/4365=36...(11) HB3 GLU 17 + HG2 GLU 17 OK 39 41 100 94 2.2-3.0 3.0=82, 2.9/729=22...(11) HB2 GLU 98 - HG2 GLU 99 poor 10 100 25 40 2.9-7.2 4.6/7611=10, 4400/4402=6...(17) HB2 GLU 16 - HG2 GLU 17 poor 10 48 20 - 3.1-6.2 HB3 LYS 94 - HG2 GLU 98 far 9 89 10 - 4.3-7.7 HB3 GLU 98 - HG2 GLU 99 far 5 100 5 - 3.9-8.4 HB3 LYS 94 - HG2 GLU 99 far 0 91 0 - 6.5-10.4 HB2 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.6-8.4 HB3 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.6-8.1 HB2 MET 21 - HG2 GLU 17 far 0 74 0 - 8.0-9.6 HB2 MET 21 - HG2 GLU 98 far 0 99 0 - 9.2-12.3 HB3 GLU 88 - HG2 GLU 17 far 0 45 0 - 9.3-11.4 HG12 ILE 93 - HG2 GLU 99 far 0 100 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4424 from cnoeabs.peaks (2.04, 2.22, 36.00 ppm; 2.81 A): 5 out of 16 assignments used, quality = 1.00: * HB3 GLU 99 + HG2 GLU 99 OK 96 100 100 96 2.3-3.0 3.0=84, 3.0/4402=30...(15) HB2 GLU 99 + HG2 GLU 99 OK 96 100 100 96 2.2-3.0 3.0=84, 3.0/4402=30...(15) HB3 GLU 98 + HG2 GLU 98 OK 93 99 100 94 2.3-2.6 3.0=81, 3.0/4365=36...(11) HB2 GLU 98 + HG2 GLU 98 OK 93 99 100 95 2.6-3.0 3.0=81, 3.0/4365=36...(12) HB3 GLU 17 + HG2 GLU 17 OK 47 50 100 94 2.2-3.0 3.0=82, 2.9/729=22...(12) HB2 GLU 98 - HG2 GLU 99 poor 10 100 25 39 2.9-7.2 4.6/7611=10, 4401/4402=6...(17) HB3 LYS 94 - HG2 GLU 98 far 9 95 10 - 4.3-7.7 HB2 GLU 16 - HG2 GLU 17 poor 8 39 20 - 3.1-6.2 HB3 GLU 98 - HG2 GLU 99 far 5 100 5 - 3.9-8.4 HB3 LYS 94 - HG2 GLU 99 far 0 96 0 - 6.5-10.4 HB2 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.6-8.4 HB3 GLU 99 - HG2 GLU 98 far 0 99 0 - 6.6-8.1 HB2 MET 21 - HG2 GLU 17 far 0 71 0 - 8.0-9.6 HB3 MET 1 - HG2 GLU 99 far 0 68 0 - 8.7-14.8 HB2 MET 21 - HG2 GLU 98 far 0 96 0 - 9.2-12.3 HG12 ILE 93 - HG2 GLU 99 far 0 100 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 4425 from cnoeabs.peaks (2.22, 2.22, 36.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 99 + HG2 GLU 99 OK 100 100 - 100 HG2 GLU 98 + HG2 GLU 98 OK 99 99 - 100 HG2 GLU 17 + HG2 GLU 17 OK 61 61 - 100 Peak 4426 from cnoeabs.peaks (2.44, 2.22, 36.00 ppm; 2.52 A): 3 out of 9 assignments used, quality = 1.00: * HG3 GLU 99 + HG2 GLU 99 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 GLU 17 + HG2 GLU 17 OK 73 73 100 100 1.8-1.8 1.8=100 HG3 GLU 98 + HG2 GLU 98 OK 66 66 100 100 1.8-1.8 1.8=100 HG3 GLU 98 - HG2 GLU 99 far 0 68 0 - 4.8-8.3 HG3 MET 21 - HG2 GLU 17 far 0 39 0 - 5.8-10.6 HG3 GLU 99 - HG2 GLU 98 far 0 99 0 - 5.8-8.5 HB3 MET 21 - HG2 GLU 17 far 0 38 0 - 7.1-8.5 HB2 ASP 11 - HG2 GLU 17 far 0 75 0 - 8.4-10.1 HG3 MET 1 - HG2 GLU 99 far 0 92 0 - 9.1-13.4 Violated in 0 structures by 0.00 A. Peak 4427 from cnoeabs.peaks (8.14, 2.22, 36.00 ppm; 5.71 A): 3 out of 6 assignments used, quality = 1.00: * H GLY 100 + HG2 GLU 99 OK 100 100 100 100 2.3-5.5 4.7=100 H GLY 100 + HG2 GLU 98 OK 94 99 95 99 5.7-7.3 7619/4.9=72...(10) H ASP 87 + HG2 GLU 17 OK 43 74 85 68 4.9-7.6 9902/3.0=31, 4434/1.8=25...(6) H HIS 106 - HG2 GLU 99 far 5 96 5 - 6.4-16.8 H TRP 92 - HG2 GLU 17 far 0 76 0 - 9.2-11.4 H TRP 92 - HG2 GLU 99 far 0 100 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 4428 from cnoeabs.peaks (7.79, 2.44, 36.00 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.98: * H GLU 99 + HG3 GLU 99 OK 98 100 100 98 1.9-3.9 7612=61, 7611/1.8=41...(14) H LYS 20 - HG3 GLU 17 far 0 98 0 - 6.0-7.5 HE ARG 30 - HG3 GLU 48 far 0 79 0 - 7.8-17.2 Violated in 0 structures by 0.00 A. Peak 4429 from cnoeabs.peaks (4.12, 2.44, 36.00 ppm; 3.89 A): 3 out of 6 assignments used, quality = 1.00: * HA GLU 99 + HG3 GLU 99 OK 100 100 100 100 2.5-3.8 4.1=86, 4402/1.8=77...(30) HA LYS 13 + HG3 GLU 17 OK 46 71 95 68 3.3-5.5 3186=18, 3.6/8418=18...(12) HA PRO 86 + HG3 GLU 17 OK 32 67 60 79 3.9-6.7 2.3/12333=27...(19) HA GLU 104 - HG3 GLU 99 far 5 100 5 - 5.0-12.0 HA LYS 47 - HG3 GLU 48 far 0 68 0 - 5.5-7.0 HA MET 1 - HG3 GLU 48 far 0 48 0 - 6.7-11.1 Violated in 0 structures by 0.00 A. Peak 4430 from cnoeabs.peaks (2.04, 2.44, 36.00 ppm; 2.88 A): 5 out of 16 assignments used, quality = 1.00: * HB2 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.4-3.0 3.0=91, 3.9/4428=24...(19) HB3 GLU 99 + HG3 GLU 99 OK 98 100 100 99 2.2-3.0 3.0=91, 3.9/4428=24...(17) HB3 GLU 48 + HG3 GLU 48 OK 79 79 100 99 2.2-3.0 3.0=88, 2247/1.8=39...(23) HB3 GLU 17 + HG3 GLU 17 OK 58 60 100 98 2.2-3.0 3.0=88, 748/1.8=35...(12) HB2 GLU 98 + HG3 GLU 99 OK 24 100 65 37 2.9-6.8 4.6/4428=19, 4400/4.1=6...(7) HB3 GLU 98 - HG3 GLU 99 poor 18 100 45 39 4.1-7.7 4.6/4428=19, 4400/4.1=6...(6) HB2 GLU 16 - HG3 GLU 17 poor 13 69 65 29 3.2-5.8 6250/758=19, 697/3.9=6...(4) HB2 GLN 50 - HG3 GLU 48 far 0 68 0 - 4.9-9.9 HB3 LYS 94 - HG3 GLU 99 far 0 91 0 - 6.1-10.6 HB2 MET 21 - HG3 GLU 17 far 0 97 0 - 7.9-9.6 HG3 GLU 28 - HG3 GLU 48 far 0 68 0 - 8.3-12.5 HB3 GLU 88 - HG3 GLU 17 far 0 65 0 - 8.9-11.8 HB3 GLU 43 - HG3 GLU 48 far 0 67 0 - 9.1-12.2 HB2 MET 74 - HG3 GLU 48 far 0 69 0 - 9.2-14.2 HG2 GLU 28 - HG3 GLU 48 far 0 68 0 - 9.2-13.9 HG12 ILE 93 - HG3 GLU 99 far 0 100 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 4431 from cnoeabs.peaks (2.04, 2.44, 36.00 ppm; 2.88 A): 5 out of 20 assignments used, quality = 1.00: * HB3 GLU 99 + HG3 GLU 99 OK 99 100 100 99 2.2-3.0 3.0=91, 3.9/4428=24...(17) HB2 GLU 99 + HG3 GLU 99 OK 98 100 100 99 2.4-3.0 3.0=91, 3.9/4428=24...(19) HB3 GLU 48 + HG3 GLU 48 OK 76 77 100 99 2.2-3.0 3.0=88, 2247/1.8=38...(23) HB3 GLU 17 + HG3 GLU 17 OK 70 71 100 98 2.2-3.0 3.0=88, 748/1.8=44...(12) HB2 GLU 98 + HG3 GLU 99 OK 24 100 65 37 2.9-6.8 4.6/4428=19, 4401/4.1=6...(7) HB3 GLU 98 - HG3 GLU 99 poor 18 100 45 39 4.1-7.7 4.6/4428=19, 4401/4.1=6...(6) HB2 GLU 16 - HG3 GLU 17 poor 10 58 65 26 3.2-5.8 4.6/758=17, 1.8/2294=5...(4) HB2 GLN 50 - HG3 GLU 48 far 0 74 0 - 4.9-9.9 HB3 GLU 44 - HG3 GLU 48 far 0 44 0 - 5.5-9.6 HB2 GLU 44 - HG3 GLU 48 far 0 44 0 - 5.8-10.5 HB3 LYS 94 - HG3 GLU 99 far 0 96 0 - 6.1-10.6 HB3 MET 1 - HG3 GLU 48 far 0 47 0 - 7.8-12.9 HB2 MET 21 - HG3 GLU 17 far 0 94 0 - 7.9-9.6 HG3 GLU 28 - HG3 GLU 48 far 0 60 0 - 8.3-12.5 HB3 GLU 43 - HG3 GLU 48 far 0 59 0 - 9.1-12.2 HB2 MET 74 - HG3 GLU 48 far 0 61 0 - 9.2-14.2 HG2 GLU 28 - HG3 GLU 48 far 0 60 0 - 9.2-13.9 HB3 MET 1 - HG3 GLU 99 far 0 68 0 - 9.4-15.2 QE MET 74 - HG3 GLU 48 far 0 45 0 - 9.4-12.3 HG12 ILE 93 - HG3 GLU 99 far 0 100 0 - 9.6-12.9 Violated in 0 structures by 0.00 A. Peak 4432 from cnoeabs.peaks (2.22, 2.44, 36.00 ppm; 2.40 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 99 + HG3 GLU 99 OK 100 100 100 100 1.8-1.8 1.8=100 HG2 GLU 17 + HG3 GLU 17 OK 84 84 100 100 1.8-1.8 1.8=100 HG3 PRO 86 - HG3 GLU 17 far 0 80 0 - 4.0-7.0 HB2 GLU 95 - HG3 GLU 99 far 0 95 0 - 4.5-7.9 HG2 GLU 98 - HG3 GLU 99 far 0 100 0 - 5.8-8.5 HG2 MET 1 - HG3 GLU 48 far 0 64 0 - 7.6-11.7 HG2 MET 1 - HG3 GLU 99 far 0 88 0 - 8.1-13.0 Violated in 0 structures by 0.00 A. Peak 4433 from cnoeabs.peaks (2.44, 2.44, 36.00 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 99 + HG3 GLU 99 OK 100 100 - 100 HG3 GLU 17 + HG3 GLU 17 OK 96 96 - 100 HG3 GLU 48 + HG3 GLU 48 OK 77 77 - 100 Peak 4434 from cnoeabs.peaks (8.14, 2.44, 36.00 ppm; 5.01 A): 2 out of 5 assignments used, quality = 1.00: * H GLY 100 + HG3 GLU 99 OK 100 100 100 100 2.0-5.0 4.7=100 H ASP 87 + HG3 GLU 17 OK 36 97 45 82 4.8-8.2 3.9/12333=33...(11) H HIS 106 - HG3 GLU 99 far 0 96 0 - 7.8-18.4 H TRP 92 - HG3 GLU 17 far 0 98 0 - 9.3-12.2 H TRP 92 - HG3 GLU 99 far 0 100 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 4435 from cnoeabs.peaks (8.14, 3.87, 45.30 ppm; 3.99 A): 3 out of 6 assignments used, quality = 1.00: * H GLY 100 + HA2 GLY 100 OK 100 100 100 100 2.3-2.9 2.9=100 H GLY 100 + HA2 GLY 101 OK 57 82 80 87 4.5-5.9 7629/3.0=61, 7625/1.8=21...(13) H GLY 100 + HA3 GLY 101 OK 37 47 90 87 4.4-5.9 7629/3.0=61, 7625=25...(13) H HIS 106 - HA3 GLY 101 far 0 42 0 - 7.6-15.2 H HIS 106 - HA2 GLY 100 far 0 96 0 - 8.1-19.4 H HIS 106 - HA2 GLY 101 far 0 75 0 - 8.8-15.7 Violated in 0 structures by 0.00 A. Peak 4436 from cnoeabs.peaks (3.87, 3.87, 45.30 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA2 GLY 100 + HA2 GLY 100 OK 100 100 - 100 HA2 GLY 101 + HA2 GLY 101 OK 82 82 - 100 HA3 GLY 101 + HA3 GLY 101 OK 33 33 - 100 Peak 4437 from cnoeabs.peaks (3.71, 3.87, 45.30 ppm; 2.79 A): 1 out of 3 assignments used, quality = 1.00: * HA3 GLY 100 + HA2 GLY 100 OK 100 100 100 100 1.8-1.8 1.8=100 HA3 GLY 100 - HA2 GLY 101 far 0 82 0 - 4.3-5.2 HA3 GLY 100 - HA3 GLY 101 far 0 47 0 - 4.4-5.3 Violated in 0 structures by 0.00 A. Peak 4438 from cnoeabs.peaks (8.02, 3.87, 45.30 ppm; 3.68 A): 5 out of 6 assignments used, quality = 1.00: * H GLY 101 + HA2 GLY 100 OK 100 100 100 100 2.3-3.6 3.6=100 H GLY 101 + HA2 GLY 101 OK 82 82 100 100 2.4-3.0 3.0=100 H GLY 101 + HA3 GLY 101 OK 47 47 100 100 2.4-2.9 3.0=100 H SER 102 + HA2 GLY 101 OK 47 47 100 100 3.4-3.6 3.6=100 H SER 102 + HA3 GLY 101 OK 25 25 100 100 2.4-3.2 3.6=100 H SER 102 - HA2 GLY 100 poor 9 65 40 36 3.9-6.0 7627/2.9=15, 4.6/7630=12...(5) Violated in 0 structures by 0.00 A. Peak 4439 from cnoeabs.peaks (8.14, 3.71, 45.30 ppm; 3.87 A): 1 out of 2 assignments used, quality = 1.00: * H GLY 100 + HA3 GLY 100 OK 100 100 100 100 2.3-3.0 2.9=100 H HIS 106 - HA3 GLY 100 far 0 96 0 - 9.8-19.0 Violated in 0 structures by 0.00 A. Peak 4440 from cnoeabs.peaks (3.87, 3.71, 45.30 ppm; 2.71 A): 1 out of 6 assignments used, quality = 1.00: * HA2 GLY 100 + HA3 GLY 100 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 101 - HA3 GLY 100 far 0 100 0 - 4.3-5.2 HA3 GLY 101 - HA3 GLY 100 far 0 82 0 - 4.4-5.3 HB2 SER 102 - HA3 GLY 100 far 0 81 0 - 4.8-8.6 HA LYS 94 - HA3 GLY 100 far 0 100 0 - 8.2-11.2 HA ALA 22 - HA3 GLY 100 far 0 59 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 4441 from cnoeabs.peaks (3.71, 3.71, 45.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 100 + HA3 GLY 100 OK 100 100 - 100 Peak 4442 from cnoeabs.peaks (8.02, 3.71, 45.30 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 101 + HA3 GLY 100 OK 100 100 100 100 2.2-3.6 3.6=100 H SER 102 + HA3 GLY 100 OK 24 65 100 37 3.6-6.1 7627/2.9=24...(3) Violated in 0 structures by 0.00 A. Peak 4443 from cnoeabs.peaks (8.02, 3.87, 45.04 ppm; 3.68 A): 5 out of 6 assignments used, quality = 1.00: * H GLY 101 + HA2 GLY 101 OK 100 100 100 100 2.4-3.0 3.0=100 H GLY 101 + HA2 GLY 100 OK 82 82 100 100 2.3-3.6 3.6=100 H GLY 101 + HA3 GLY 101 OK 65 65 100 100 2.4-2.9 3.0=100 H SER 102 + HA2 GLY 101 OK 65 65 100 100 3.4-3.6 3.6=100 H SER 102 + HA3 GLY 101 OK 36 36 100 100 2.4-3.2 3.6=100 H SER 102 - HA2 GLY 100 poor 19 47 40 - 3.9-6.0 Violated in 0 structures by 0.00 A. Peak 4444 from cnoeabs.peaks (3.87, 3.87, 45.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA2 GLY 101 + HA2 GLY 101 OK 100 100 - 100 HA2 GLY 100 + HA2 GLY 100 OK 82 82 - 100 HA3 GLY 101 + HA3 GLY 101 OK 47 47 - 100 Peak 4445 from cnoeabs.peaks (3.89, 3.87, 45.04 ppm; diagonal): 3 out of 3 assignments used, quality = 0.98: HA2 GLY 101 + HA2 GLY 101 OK 82 82 - 100 HA3 GLY 101 + HA3 GLY 101 OK 65 65 - 100 HA2 GLY 100 + HA2 GLY 100 OK 61 61 - 100 Reference assignment not found: HA3 GLY 101 - HA2 GLY 101 Peak 4446 from cnoeabs.peaks (8.06, 3.87, 45.04 ppm; 3.73 A): 5 out of 6 assignments used, quality = 1.00: * H SER 102 + HA2 GLY 101 OK 100 100 100 100 3.4-3.6 3.6=100 H GLY 101 + HA2 GLY 101 OK 65 65 100 100 2.4-3.0 3.0=100 H SER 102 + HA3 GLY 101 OK 65 65 100 100 2.4-3.2 3.6=100 H GLY 101 + HA2 GLY 100 OK 47 47 100 100 2.3-3.6 3.6=100 H GLY 101 + HA3 GLY 101 OK 36 36 100 100 2.4-2.9 3.0=100 H SER 102 - HA2 GLY 100 poor 13 82 50 31 3.9-6.0 4.6/7630=13, 7627/2.9=10...(5) Violated in 0 structures by 0.00 A. Peak 4447 from cnoeabs.peaks (8.02, 3.89, 45.04 ppm; 3.17 A): 5 out of 6 assignments used, quality = 1.00: * H GLY 101 + HA3 GLY 101 OK 100 100 100 100 2.4-2.9 3.0=100 H GLY 101 + HA2 GLY 101 OK 65 65 100 100 2.4-3.0 3.0=100 H SER 102 + HA3 GLY 101 OK 55 65 100 84 2.4-3.2 3.6=71, 3.0/4453=14...(8) H GLY 101 + HA2 GLY 100 OK 40 47 100 85 2.3-3.6 3.6=70, 7629/2.9=39...(6) H SER 102 + HA2 GLY 101 OK 29 36 100 82 3.4-3.6 3.6=71, 7640/1.8=13...(7) H SER 102 - HA2 GLY 100 poor 6 25 25 - 3.9-6.0 Violated in 0 structures by 0.00 A. Peak 4448 from cnoeabs.peaks (3.87, 3.89, 45.04 ppm; diagonal): 3 out of 3 assignments used, quality = 0.97: HA3 GLY 101 + HA3 GLY 101 OK 82 82 - 100 HA2 GLY 101 + HA2 GLY 101 OK 65 65 - 100 HA2 GLY 100 + HA2 GLY 100 OK 47 47 - 100 Reference assignment not found: HA2 GLY 101 - HA3 GLY 101 Peak 4449 from cnoeabs.peaks (3.89, 3.89, 45.04 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA3 GLY 101 + HA3 GLY 101 OK 100 100 - 100 HA2 GLY 101 + HA2 GLY 101 OK 47 47 - 100 HA2 GLY 100 + HA2 GLY 100 OK 33 33 - 100 Peak 4450 from cnoeabs.peaks (8.06, 3.89, 45.04 ppm; 3.23 A): 5 out of 6 assignments used, quality = 0.99: * H SER 102 + HA3 GLY 101 OK 88 100 100 88 2.4-3.2 3.6=75, 7638/1.8=20...(8) H GLY 101 + HA3 GLY 101 OK 65 65 100 100 2.4-2.9 3.0=100 H SER 102 + HA2 GLY 101 OK 57 65 100 87 3.4-3.6 3.6=75, 7640/1.8=24...(7) H GLY 101 + HA2 GLY 101 OK 36 36 100 100 2.4-3.0 3.0=100 H GLY 101 + HA2 GLY 100 OK 20 25 100 83 2.3-3.6 3.6=74, 7629/2.9=22...(6) H SER 102 - HA2 GLY 100 poor 14 47 30 - 3.9-6.0 Violated in 0 structures by 0.00 A. Peak 4451 from cnoeabs.peaks (8.06, 4.38, 58.19 ppm; 4.37 A): 2 out of 2 assignments used, quality = 1.00: * H SER 102 + HA SER 102 OK 100 100 100 100 2.3-2.9 3.0=100 H GLY 101 + HA SER 102 OK 46 65 100 70 4.1-5.0 3.0/4453=23, 4456/3.0=15...(8) Violated in 0 structures by 0.00 A. Peak 4452 from cnoeabs.peaks (4.38, 4.38, 58.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 102 + HA SER 102 OK 100 100 - 100 Peak 4453 from cnoeabs.peaks (3.89, 4.38, 58.19 ppm; 3.10 A): 3 out of 5 assignments used, quality = 1.00: * HB2 SER 102 + HA SER 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA3 GLY 101 + HA SER 102 OK 45 100 90 50 4.3-4.8 7640/3.0=17...(9) HA2 GLY 101 + HA SER 102 OK 24 81 60 50 4.5-5.4 7638/3.0=14, 3.0/4451=10...(9) HA2 GLY 100 - HA SER 102 far 0 81 0 - 5.7-8.0 HA LYS 94 - HA SER 102 far 0 81 0 - 9.7-15.4 Violated in 0 structures by 0.00 A. Peak 4454 from cnoeabs.peaks (3.81, 4.38, 58.19 ppm; 3.19 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 102 + HA SER 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA SER 97 - HA SER 102 far 0 100 0 - 6.9-11.4 Violated in 0 structures by 0.00 A. Peak 4455 from cnoeabs.peaks (8.29, 4.38, 58.19 ppm; 3.32 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HA SER 102 OK 100 100 100 100 2.1-2.9 7645=100, 7647/3.0=35...(9) H LYS 94 - HA SER 102 far 0 88 0 - 9.9-16.7 Violated in 0 structures by 0.00 A. Peak 4456 from cnoeabs.peaks (8.06, 3.89, 63.54 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * H SER 102 + HB2 SER 102 OK 100 100 100 100 2.3-4.0 4.0=100 H GLY 101 + HB2 SER 102 OK 38 65 100 58 3.7-5.8 4451/3.0=23, 4461/1.8=20...(5) Violated in 0 structures by 0.00 A. Peak 4457 from cnoeabs.peaks (4.38, 3.89, 63.54 ppm; 3.45 A): 1 out of 3 assignments used, quality = 1.00: * HA SER 102 + HB2 SER 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA HIS 106 - HB2 SER 102 far 4 82 5 - 2.3-15.4 HA ARG 81 - HB2 SER 102 far 0 94 0 - 9.5-19.3 Violated in 0 structures by 0.00 A. Peak 4458 from cnoeabs.peaks (3.89, 3.89, 63.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 102 + HB2 SER 102 OK 100 100 - 100 Peak 4459 from cnoeabs.peaks (3.81, 3.89, 63.54 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * HB3 SER 102 + HB2 SER 102 OK 100 100 100 100 1.8-1.8 1.8=100 HA SER 97 - HB2 SER 102 far 0 100 0 - 7.9-11.5 Violated in 0 structures by 0.00 A. Peak 4460 from cnoeabs.peaks (8.29, 3.89, 63.54 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB2 SER 102 OK 100 100 100 100 2.1-4.7 4.5=100 H LYS 94 - HB2 SER 102 far 0 88 0 - 9.1-17.7 Violated in 0 structures by 0.00 A. Peak 4461 from cnoeabs.peaks (8.06, 3.81, 63.54 ppm; 4.67 A): 2 out of 2 assignments used, quality = 1.00: * H SER 102 + HB3 SER 102 OK 100 100 100 100 2.2-4.0 4.0=100 H GLY 101 + HB3 SER 102 OK 32 65 100 48 3.8-6.1 4451/3.0=22, 4456/1.8=21...(4) Violated in 0 structures by 0.00 A. Peak 4462 from cnoeabs.peaks (4.38, 3.81, 63.54 ppm; 3.46 A): 1 out of 2 assignments used, quality = 1.00: * HA SER 102 + HB3 SER 102 OK 100 100 100 100 2.2-3.0 3.0=100 HA HIS 106 - HB3 SER 102 far 4 82 5 - 3.0-14.4 Violated in 0 structures by 0.00 A. Peak 4463 from cnoeabs.peaks (3.89, 3.81, 63.54 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 SER 102 + HB3 SER 102 OK 100 100 100 100 1.8-1.8 1.8=100 HA2 GLY 101 - HB3 SER 102 far 0 81 0 - 4.6-6.6 HA3 GLY 101 - HB3 SER 102 far 0 100 0 - 4.7-6.3 HA2 GLY 100 - HB3 SER 102 far 0 81 0 - 5.7-8.3 HA LYS 94 - HB3 SER 102 far 0 81 0 - 8.8-16.1 Violated in 0 structures by 0.00 A. Peak 4464 from cnoeabs.peaks (3.81, 3.81, 63.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 102 + HB3 SER 102 OK 100 100 - 100 Peak 4465 from cnoeabs.peaks (8.29, 3.81, 63.54 ppm; 5.55 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB3 SER 102 OK 100 100 100 100 2.8-4.4 4.5=100 H LYS 94 - HB3 SER 102 far 0 88 0 - 8.4-17.8 Violated in 0 structures by 0.00 A. Peak 4466 from cnoeabs.peaks (8.29, 4.30, 55.01 ppm; 4.22 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HA LEU 103 OK 100 100 100 100 2.8-2.9 3.0=100 H LYS 94 - HA LEU 103 far 0 88 0 - 6.5-15.0 Violated in 0 structures by 0.00 A. Peak 4467 from cnoeabs.peaks (4.30, 4.30, 55.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HA LEU 103 OK 100 100 - 100 Peak 4468 from cnoeabs.peaks (1.58, 4.30, 55.01 ppm; 3.28 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.3-3.0 3.0=100 HG LEU 103 + HA LEU 103 OK 99 100 100 99 2.4-4.3 3.7=71, 2.1/4499=65...(19) HB2 ARG 79 - HA LEU 103 lone 3 96 25 14 2.3-12.1 4500/4499=6, 4508/3.9=2...(5) HD3 LYS 53 - HA LEU 103 far 0 71 0 - 7.5-11.1 HD3 LYS 94 - HA LEU 103 far 0 98 0 - 8.8-17.5 HD2 LYS 94 - HA LEU 103 far 0 59 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 4469 from cnoeabs.peaks (1.52, 4.30, 55.01 ppm; 3.29 A): 1 out of 7 assignments used, quality = 1.00: * HB3 LEU 103 + HA LEU 103 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 ARG 79 - HA LEU 103 poor 16 99 40 42 3.5-11.0 4501/4499=10, 4493/3.7=8...(11) HG3 ARG 79 - HA LEU 103 poor 9 98 25 36 2.5-12.6 4493/3.7=8, 4501/4499=8...(9) HD3 LYS 53 - HA LEU 103 far 0 79 0 - 7.5-11.1 HB2 ARG 91 - HA LEU 103 far 0 63 0 - 7.9-17.9 HG LEU 57 - HA LEU 103 far 0 90 0 - 8.5-17.9 HG12 ILE 56 - HA LEU 103 far 0 99 0 - 9.4-17.0 Violated in 0 structures by 0.00 A. Peak 4470 from cnoeabs.peaks (1.58, 4.30, 55.01 ppm; 3.14 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.3-3.0 3.0=100 * HG LEU 103 + HA LEU 103 OK 99 100 100 99 2.4-4.3 3.7=62, 2.1/4499=60...(19) HB2 ARG 79 - HA LEU 103 lone 3 94 25 12 2.3-12.1 4500/4499=5, 4508/3.9=2...(5) HD3 LYS 53 - HA LEU 103 far 0 77 0 - 7.5-11.1 HD3 LYS 94 - HA LEU 103 far 0 96 0 - 8.8-17.5 Violated in 0 structures by 0.00 A. Peak 4471 from cnoeabs.peaks (0.83, 4.30, 55.01 ppm; 3.16 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 103 + HA LEU 103 OK 100 100 100 100 2.0-3.4 4499=92, 2.1/4470=31...(21) QD1 LEU 103 + HA LEU 103 OK 61 61 100 99 1.9-3.8 2.1/4499=62, 3.9=53...(20) QD1 LEU 57 - HA LEU 103 far 0 100 0 - 5.9-13.8 QD2 LEU 57 - HA LEU 103 far 0 75 0 - 6.6-14.7 QD2 LEU 64 - HA LEU 103 far 0 65 0 - 8.7-18.0 Violated in 0 structures by 0.00 A. Peak 4472 from cnoeabs.peaks (0.86, 4.30, 55.01 ppm; 3.55 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 103 + HA LEU 103 OK 100 100 100 100 1.9-3.8 2.1/4499=75, 3.9=74...(21) QD2 LEU 103 + HA LEU 103 OK 61 61 100 99 2.0-3.4 3.9=74, 2.1/4470=38...(20) QD1 LEU 57 - HA LEU 103 far 0 63 0 - 5.9-13.8 QD2 LEU 64 - HA LEU 103 far 0 100 0 - 8.7-18.0 Violated in 0 structures by 0.00 A. Peak 4473 from cnoeabs.peaks (8.22, 4.30, 55.01 ppm; 3.50 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 104 + HA LEU 103 OK 100 100 100 100 2.1-3.6 7657=100, 7654/3.0=44...(7) H PHE 96 - HA LEU 103 lone 2 100 25 7 4.0-11.4 4505/4499=3, 4513/3.9=2 H SER 97 - HA LEU 103 far 0 100 0 - 5.9-12.2 Violated in 4 structures by 0.01 A. Peak 4474 from cnoeabs.peaks (8.29, 1.58, 42.02 ppm; 3.98 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.1-3.5 4.0=95, 7650/1.8=65...(13) H LYS 94 - HB2 LEU 103 far 0 88 0 - 7.8-17.0 Violated in 0 structures by 0.00 A. Peak 4475 from cnoeabs.peaks (4.30, 1.58, 42.02 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.3-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4476 from cnoeabs.peaks (1.58, 1.58, 42.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Peak 4477 from cnoeabs.peaks (1.52, 1.58, 42.02 ppm; 2.40 A): 1 out of 8 assignments used, quality = 1.00: * HB3 LEU 103 + HB2 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG3 ARG 79 - HB2 LEU 103 poor 10 98 35 30 2.5-11.6 4493/3.0=5, 74/3.1=4...(13) HG2 ARG 79 - HB2 LEU 103 poor 9 99 30 32 2.0-10.2 4493/3.0=6, 4501/3.1=6...(13) HD3 LYS 53 - HB2 LEU 103 far 0 79 0 - 7.2-12.3 HG LEU 57 - HB2 LEU 103 far 0 90 0 - 7.8-16.4 HB2 ARG 91 - HB2 LEU 103 far 0 63 0 - 8.1-18.1 HG12 ILE 56 - HB2 LEU 103 far 0 99 0 - 8.5-15.9 HB3 LEU 64 - HB2 LEU 103 far 0 71 0 - 9.7-21.3 Violated in 0 structures by 0.00 A. Peak 4478 from cnoeabs.peaks (1.58, 1.58, 42.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 103 + HB2 LEU 103 OK 100 100 - 100 Reference assignment not found: HG LEU 103 - HB2 LEU 103 Peak 4479 from cnoeabs.peaks (0.83, 1.58, 42.02 ppm; 3.34 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 103 + HB2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 103 + HB2 LEU 103 OK 61 61 100 100 1.9-3.2 3.1=100 QD1 LEU 57 - HB2 LEU 103 far 0 100 0 - 5.1-12.7 QD2 LEU 57 - HB2 LEU 103 far 0 75 0 - 5.6-13.3 QD2 LEU 64 - HB2 LEU 103 far 0 65 0 - 8.9-18.0 Violated in 0 structures by 0.00 A. Peak 4480 from cnoeabs.peaks (0.86, 1.58, 42.02 ppm; 3.27 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + HB2 LEU 103 OK 100 100 100 100 1.9-3.2 3.1=100 QD2 LEU 103 + HB2 LEU 103 OK 61 61 100 100 2.0-3.2 3.1=100 QD1 LEU 57 - HB2 LEU 103 far 0 63 0 - 5.1-12.7 QD2 LEU 64 - HB2 LEU 103 far 0 100 0 - 8.9-18.0 QG2 ILE 76 - HB2 LEU 103 far 0 93 0 - 9.5-14.7 Violated in 0 structures by 0.00 A. Peak 4481 from cnoeabs.peaks (8.22, 1.58, 42.02 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 104 + HB2 LEU 103 OK 100 100 100 100 1.8-4.6 4.3=100 H PHE 96 - HB2 LEU 103 far 10 100 10 - 6.0-13.4 H SER 97 - HB2 LEU 103 far 0 100 0 - 7.2-14.2 Violated in 0 structures by 0.00 A. Peak 4482 from cnoeabs.peaks (8.29, 1.52, 42.02 ppm; 4.11 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.2-3.8 4.0=100 H LYS 94 - HB3 LEU 103 far 0 88 0 - 6.4-17.1 Violated in 0 structures by 0.00 A. Peak 4483 from cnoeabs.peaks (4.30, 1.52, 42.02 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.2-3.0 3.0=100 Violated in 0 structures by 0.00 A. Peak 4484 from cnoeabs.peaks (1.58, 1.52, 42.02 ppm; 2.40 A): 2 out of 6 assignments used, quality = 1.00: * HB2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 HG LEU 103 + HB3 LEU 103 OK 86 100 100 86 2.3-3.0 3.0=53, 2.1/4501=16...(15) HB2 ARG 79 - HB3 LEU 103 far 0 96 0 - 4.0-11.6 HD3 LYS 53 - HB3 LEU 103 far 0 71 0 - 8.0-12.7 HD3 LYS 94 - HB3 LEU 103 far 0 98 0 - 9.3-20.2 HD2 LYS 94 - HB3 LEU 103 far 0 59 0 - 9.6-19.6 Violated in 0 structures by 0.00 A. Peak 4485 from cnoeabs.peaks (1.52, 1.52, 42.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 103 + HB3 LEU 103 OK 100 100 - 100 Peak 4486 from cnoeabs.peaks (1.58, 1.52, 42.02 ppm; 2.40 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 1.8-1.8 1.8=100 * HG LEU 103 + HB3 LEU 103 OK 86 100 100 86 2.3-3.0 3.0=53, 2.1/4501=16...(15) HB2 ARG 79 - HB3 LEU 103 far 0 94 0 - 4.0-11.6 HD3 LYS 53 - HB3 LEU 103 far 0 77 0 - 8.0-12.7 HD3 LYS 94 - HB3 LEU 103 far 0 96 0 - 9.3-20.2 Violated in 0 structures by 0.00 A. Peak 4487 from cnoeabs.peaks (0.83, 1.52, 42.02 ppm; 3.37 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 QD1 LEU 103 + HB3 LEU 103 OK 61 61 100 100 2.0-3.2 3.1=100 QD1 LEU 57 - HB3 LEU 103 far 0 100 0 - 5.4-12.2 QD2 LEU 57 - HB3 LEU 103 far 0 75 0 - 5.5-13.0 QD2 LEU 64 - HB3 LEU 103 far 0 65 0 - 8.5-17.4 Violated in 0 structures by 0.00 A. Peak 4488 from cnoeabs.peaks (0.86, 1.52, 42.02 ppm; 3.28 A): 2 out of 4 assignments used, quality = 1.00: * QD1 LEU 103 + HB3 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 QD2 LEU 103 + HB3 LEU 103 OK 61 61 100 100 2.0-3.2 3.1=100 QD1 LEU 57 - HB3 LEU 103 far 0 63 0 - 5.4-12.2 QD2 LEU 64 - HB3 LEU 103 far 0 100 0 - 8.5-17.4 Violated in 0 structures by 0.00 A. Peak 4489 from cnoeabs.peaks (8.22, 1.52, 42.02 ppm; 4.89 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 104 + HB3 LEU 103 OK 100 100 100 100 1.8-4.6 4.3=100 H PHE 96 - HB3 LEU 103 poor 20 100 20 - 4.2-13.7 H SER 97 - HB3 LEU 103 far 5 100 5 - 6.0-14.7 Violated in 0 structures by 0.00 A. Peak 4490 from cnoeabs.peaks (8.29, 1.58, 27.00 ppm; 4.63 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 103 + HG LEU 103 OK 100 100 100 100 2.3-5.1 4474/3.0=76, 5.3=69...(14) H LYS 94 - HG LEU 103 far 0 88 0 - 8.2-17.6 Violated in 8 structures by 0.07 A. Peak 4491 from cnoeabs.peaks (4.30, 1.58, 27.00 ppm; 4.79 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 103 + HG LEU 103 OK 100 100 100 100 2.4-4.3 3.7=100 HA ASP 65 - HG LEU 103 far 0 98 0 - 9.3-24.6 Violated in 0 structures by 0.00 A. Peak 4492 from cnoeabs.peaks (1.58, 1.58, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG LEU 103 + HG LEU 103 OK 100 100 - 100 Reference assignment not found: HB2 LEU 103 - HG LEU 103 Peak 4493 from cnoeabs.peaks (1.52, 1.58, 27.00 ppm; 2.94 A): 3 out of 9 assignments used, quality = 1.00: * HB3 LEU 103 + HG LEU 103 OK 100 100 100 100 2.3-3.0 3.0=97, 4501/2.1=24...(18) HG2 ARG 79 + HG LEU 103 OK 29 99 50 58 2.2-12.3 4501/2.1=12, 74/2.1=10...(24) HG3 ARG 79 + HG LEU 103 OK 28 98 50 56 2.4-13.7 4501/2.1=9, 74/2.1=9...(21) HG LEU 57 - HG LEU 103 far 0 90 0 - 6.9-17.6 HG12 ILE 56 - HG LEU 103 far 0 99 0 - 7.1-17.9 HD3 LYS 53 - HG LEU 103 far 0 79 0 - 7.8-11.8 HB3 LEU 64 - HG LEU 103 far 0 71 0 - 8.7-22.9 HB2 ARG 91 - HG LEU 103 far 0 63 0 - 9.1-19.1 HB2 LEU 3 - HG LEU 103 far 0 77 0 - 9.8-16.7 Violated in 0 structures by 0.00 A. Peak 4494 from cnoeabs.peaks (1.58, 1.58, 27.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 103 + HG LEU 103 OK 100 100 - 100 Peak 4495 from cnoeabs.peaks (0.83, 1.58, 27.00 ppm; 3.65 A): 2 out of 5 assignments used, quality = 1.00: * QD2 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD1 LEU 103 + HG LEU 103 OK 61 61 100 100 2.1-2.1 2.1=100 QD2 LEU 57 - HG LEU 103 far 8 75 10 - 4.3-14.5 QD1 LEU 57 - HG LEU 103 far 5 100 5 - 5.0-13.8 QD2 LEU 64 - HG LEU 103 far 0 65 0 - 6.9-19.3 Violated in 0 structures by 0.00 A. Peak 4496 from cnoeabs.peaks (0.86, 1.58, 27.00 ppm; 3.79 A): 2 out of 5 assignments used, quality = 1.00: * QD1 LEU 103 + HG LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 QD2 LEU 103 + HG LEU 103 OK 61 61 100 100 2.1-2.1 2.1=100 QD1 LEU 57 - HG LEU 103 far 10 63 15 - 5.0-13.8 QD2 LEU 64 - HG LEU 103 far 0 100 0 - 6.9-19.3 QG2 ILE 76 - HG LEU 103 far 0 93 0 - 9.5-15.7 Violated in 0 structures by 0.00 A. Peak 4497 from cnoeabs.peaks (8.22, 1.58, 27.00 ppm; 6.50 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 104 + HG LEU 103 OK 100 100 100 100 3.5-6.0 7657/3.7=100...(10) H PHE 96 - HG LEU 103 poor 12 100 50 22 5.3-14.0 4505/2.1=11, 4513/2.1=9 H SER 97 - HG LEU 103 lone 2 100 30 7 7.1-14.7 4505/2.1=3, 4513/2.1=2 H LYS 68 - HG LEU 103 far 0 77 0 - 9.2-23.4 Violated in 0 structures by 0.00 A. Peak 4498 from cnoeabs.peaks (8.29, 0.83, 23.17 ppm; 5.84 A): 1 out of 4 assignments used, quality = 1.00: * H LEU 103 + QD2 LEU 103 OK 100 100 100 100 1.8-4.2 4.7=100 H PHE 45 - QD2 LEU 2 poor 18 41 45 - 6.6-10.1 H LYS 94 - QD2 LEU 103 poor 18 88 20 - 6.0-13.0 H ALA 71 - QD2 LEU 103 far 0 82 0 - 8.5-19.6 Violated in 0 structures by 0.00 A. Peak 4499 from cnoeabs.peaks (4.30, 0.83, 23.17 ppm; 3.25 A): 1 out of 3 assignments used, quality = 0.99: * HA LEU 103 + QD2 LEU 103 OK 99 100 100 99 2.0-3.4 4471=62, 4472/2.1=36...(22) HA GLU 28 - QD2 LEU 2 far 0 55 0 - 7.6-10.7 HA ASP 65 - QD2 LEU 103 far 0 98 0 - 7.6-20.9 Violated in 2 structures by 0.01 A. Peak 4500 from cnoeabs.peaks (1.58, 0.83, 23.17 ppm; 3.17 A): 3 out of 18 assignments used, quality = 1.00: * HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 ARG 79 + QD2 LEU 103 OK 26 96 70 39 1.9-11.9 3.0/4501=11, 3.0/4501=8...(12) HB2 LEU 3 - QD2 LEU 2 poor 9 35 25 - 4.4-7.4 HD3 LYS 53 - QD2 LEU 103 far 0 71 0 - 5.2-10.2 HD3 LYS 53 - QD2 LEU 2 far 0 34 0 - 5.4-9.2 HB3 GLU 28 - QD2 LEU 2 far 0 46 0 - 6.7-10.3 HG LEU 27 - QD2 LEU 2 far 0 53 0 - 6.9-9.6 HB2 LEU 3 - QD2 LEU 103 far 0 73 0 - 7.0-13.4 HG3 LYS 47 - QD2 LEU 2 far 0 30 0 - 7.1-11.9 HD3 LYS 94 - QD2 LEU 103 far 0 98 0 - 7.9-15.3 HG LEU 27 - QD2 LEU 103 far 0 98 0 - 8.6-15.0 HD2 LYS 94 - QD2 LEU 103 far 0 59 0 - 8.7-15.4 HB2 ARG 79 - QD2 LEU 2 far 0 52 0 - 9.0-13.4 HB3 LEU 29 - QD2 LEU 103 far 0 99 0 - 9.4-17.0 HD3 LYS 82 - QD2 LEU 103 far 0 93 0 - 9.7-22.3 HB3 LEU 29 - QD2 LEU 2 far 0 54 0 - 9.7-13.2 HB2 ARG 30 - QD2 LEU 2 far 0 49 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 4501 from cnoeabs.peaks (1.52, 0.83, 23.17 ppm; 3.03 A): 4 out of 19 assignments used, quality = 1.00: * HB3 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=92, 3.0/4499=44...(19) HG LEU 2 + QD2 LEU 2 OK 56 56 100 100 2.1-2.1 2.1=100 HG2 ARG 79 + QD2 LEU 103 OK 49 99 80 62 2.3-10.6 4493/2.1=12, 73=11...(19) HG3 ARG 79 + QD2 LEU 103 OK 38 98 65 59 1.9-11.9 4493/2.1=11, 74/2.1=10...(18) HB2 LEU 3 - QD2 LEU 2 far 6 37 15 - 4.4-7.4 HD3 LYS 53 - QD2 LEU 103 far 0 79 0 - 5.2-10.2 HD3 LYS 53 - QD2 LEU 2 far 0 39 0 - 5.4-9.2 HG LEU 57 - QD2 LEU 103 far 0 90 0 - 5.6-16.0 HG12 ILE 56 - QD2 LEU 103 far 0 99 0 - 6.2-15.5 HB2 ARG 91 - QD2 LEU 103 far 0 63 0 - 6.9-15.7 HB2 LEU 3 - QD2 LEU 103 far 0 77 0 - 7.0-13.4 HG2 LYS 47 - QD2 LEU 2 far 0 35 0 - 7.4-12.0 HB3 LEU 64 - QD2 LEU 103 far 0 71 0 - 7.7-20.0 HG LEU 6 - QD2 LEU 2 far 0 57 0 - 8.1-12.3 HG LEU 6 - QD2 LEU 103 far 0 100 0 - 8.7-18.0 HG3 ARG 30 - QD2 LEU 2 far 0 56 0 - 9.1-12.8 HG12 ILE 56 - QD2 LEU 2 far 0 56 0 - 9.2-13.6 HB ILE 7 - QD2 LEU 103 far 0 100 0 - 9.8-19.5 HG2 ARG 79 - QD2 LEU 2 far 0 54 0 - 10.0-13.9 Violated in 0 structures by 0.00 A. Peak 4502 from cnoeabs.peaks (1.58, 0.83, 23.17 ppm; 3.07 A): 3 out of 16 assignments used, quality = 1.00: * HG LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD2 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=95, 3.0/4499=45...(19) HB2 ARG 79 + QD2 LEU 103 OK 24 94 70 36 1.9-11.9 3.0/4501=10, 3.0/4501=8...(11) HB2 LEU 3 - QD2 LEU 2 far 6 39 15 - 4.4-7.4 HD3 LYS 53 - QD2 LEU 103 far 0 77 0 - 5.2-10.2 HD3 LYS 53 - QD2 LEU 2 far 0 37 0 - 5.4-9.2 HB3 GLU 28 - QD2 LEU 2 far 0 49 0 - 6.7-10.3 HG LEU 27 - QD2 LEU 2 far 0 51 0 - 6.9-9.6 HB2 LEU 3 - QD2 LEU 103 far 0 79 0 - 7.0-13.4 HD3 LYS 94 - QD2 LEU 103 far 0 96 0 - 7.9-15.3 HG LEU 27 - QD2 LEU 103 far 0 96 0 - 8.6-15.0 HB2 ARG 79 - QD2 LEU 2 far 0 49 0 - 9.0-13.4 HB3 LEU 29 - QD2 LEU 103 far 0 97 0 - 9.4-17.0 HD3 LYS 82 - QD2 LEU 103 far 0 96 0 - 9.7-22.3 HB3 LEU 29 - QD2 LEU 2 far 0 52 0 - 9.7-13.2 HB2 ARG 30 - QD2 LEU 2 far 0 47 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 4503 from cnoeabs.peaks (0.83, 0.83, 23.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 103 + QD2 LEU 103 OK 100 100 - 100 QD2 LEU 2 + QD2 LEU 2 OK 49 49 - 100 Peak 4504 from cnoeabs.peaks (0.86, 0.83, 23.17 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: QD2 LEU 103 + QD2 LEU 103 OK 61 61 - 100 Reference assignment not found: QD1 LEU 103 - QD2 LEU 103 Peak 4505 from cnoeabs.peaks (8.22, 0.83, 23.17 ppm; 4.99 A): 1 out of 7 assignments used, quality = 1.00: * H GLU 104 + QD2 LEU 103 OK 100 100 100 100 2.2-4.9 4.9=100 H PHE 96 - QD2 LEU 103 poor 12 100 55 21 3.7-10.0 7661=6, 4513/2.1=6...(5) H SER 97 - QD2 LEU 103 lone 3 100 35 8 5.2-11.4 4.6/7661=4, 9277/9272=1 H LEU 27 - QD2 LEU 2 far 0 43 0 - 7.7-10.4 H LYS 68 - QD2 LEU 103 far 0 77 0 - 8.2-20.0 H SER 97 - QD2 LEU 2 far 0 57 0 - 8.9-12.3 H GLU 43 - QD2 LEU 2 far 0 45 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 4506 from cnoeabs.peaks (8.29, 0.86, 25.07 ppm; 4.77 A): 1 out of 5 assignments used, quality = 1.00: * H LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.8-4.5 4.7=100 H LYS 94 - QD1 LEU 103 far 4 88 5 - 5.8-13.8 H PHE 45 - QD1 LEU 2 far 0 46 0 - 6.5-9.0 H ALA 71 - QD1 LEU 103 far 0 82 0 - 8.0-19.9 H ALA 71 - QD2 LEU 64 far 0 42 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 4507 from cnoeabs.peaks (4.30, 0.86, 25.07 ppm; 4.13 A): 2 out of 5 assignments used, quality = 1.00: * HA LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.9-3.8 3.9=100 HA ASP 65 + QD2 LEU 64 OK 56 56 100 100 2.9-4.3 9503=90, 3.0/7052=66...(28) HA ASP 65 - QD1 LEU 103 far 0 98 0 - 6.6-20.4 HA LEU 103 - QD2 LEU 64 far 0 60 0 - 8.7-18.0 HA GLU 28 - QD1 LEU 2 far 0 63 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 4508 from cnoeabs.peaks (1.58, 0.86, 25.07 ppm; 3.05 A): 3 out of 17 assignments used, quality = 1.00: HG LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 * HB2 LEU 103 + QD1 LEU 103 OK 100 100 100 100 1.9-3.2 3.1=93, 4502/2.1=28...(19) HD3 LYS 82 + QD2 LEU 64 OK 46 51 100 91 3.3-4.3 3.5/9758=25...(22) HB2 ARG 79 - QD1 LEU 103 poor 15 96 45 35 2.0-11.7 3.0/74=8, 3.0/74=7...(11) HD3 LYS 53 - QD1 LEU 2 far 0 39 0 - 5.9-9.0 HD3 LYS 53 - QD1 LEU 103 far 0 71 0 - 6.0-10.7 HB2 LEU 3 - QD1 LEU 2 far 0 40 0 - 6.3-7.5 HG LEU 103 - QD2 LEU 64 far 0 60 0 - 6.9-19.3 HD2 LYS 66 - QD2 LEU 64 far 0 53 0 - 7.2-9.9 HB3 GLU 28 - QD1 LEU 2 far 0 52 0 - 7.5-10.6 HD3 LYS 94 - QD1 LEU 103 far 0 98 0 - 7.6-17.1 HB2 LEU 3 - QD1 LEU 103 far 0 73 0 - 7.8-14.2 HB2 ARG 79 - QD2 LEU 64 far 0 54 0 - 7.9-9.8 HG3 LYS 47 - QD1 LEU 2 far 0 34 0 - 8.3-10.8 HG LEU 27 - QD1 LEU 2 far 0 60 0 - 8.6-10.3 HD2 LYS 94 - QD1 LEU 103 far 0 59 0 - 8.7-16.7 HB2 LEU 103 - QD2 LEU 64 far 0 60 0 - 8.9-18.0 Violated in 0 structures by 0.00 A. Peak 4509 from cnoeabs.peaks (1.52, 0.86, 25.07 ppm; 3.12 A): 5 out of 25 assignments used, quality = 1.00: * HB3 LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.0-3.2 3.1=100 HG LEU 2 + QD1 LEU 2 OK 63 63 100 100 2.1-2.1 2.1=100 HG3 ARG 79 + QD1 LEU 103 OK 38 98 60 64 2.2-11.9 74=14, 4493/2.1=12...(18) HG2 ARG 79 + QD1 LEU 103 OK 36 99 55 66 2.0-10.6 74=16, 4501/2.1=13...(19) HB3 LEU 64 + QD2 LEU 64 OK 36 36 100 100 2.5-3.0 3.1=99, 3.0/2805=36...(19) HG LEU 57 - QD1 LEU 103 far 0 90 0 - 5.4-15.3 HB2 ARG 91 - QD1 LEU 103 far 0 63 0 - 5.6-14.9 HD3 LYS 53 - QD1 LEU 2 far 0 44 0 - 5.9-9.0 HD3 LYS 53 - QD1 LEU 103 far 0 79 0 - 6.0-10.7 HG2 LYS 66 - QD2 LEU 64 far 0 37 0 - 6.1-9.4 HB2 LEU 3 - QD1 LEU 2 far 0 43 0 - 6.3-7.5 HG12 ILE 56 - QD1 LEU 103 far 0 99 0 - 6.7-15.5 HG2 LYS 47 - QD1 LEU 2 far 0 40 0 - 7.4-10.8 HG2 ARG 79 - QD2 LEU 64 far 0 57 0 - 7.5-11.0 HG3 LYS 66 - QD2 LEU 64 far 0 39 0 - 7.5-9.5 HG3 ARG 79 - QD2 LEU 64 far 0 56 0 - 7.8-11.0 HB2 LEU 3 - QD1 LEU 103 far 0 77 0 - 7.8-14.2 HG12 ILE 56 - QD2 LEU 64 far 0 58 0 - 8.0-9.6 HB3 LEU 64 - QD1 LEU 103 far 0 71 0 - 8.3-19.1 HB3 LEU 103 - QD2 LEU 64 far 0 60 0 - 8.5-17.4 HG LEU 6 - QD1 LEU 103 far 0 100 0 - 9.1-18.4 HG LEU 57 - QD2 LEU 64 far 0 48 0 - 9.4-10.3 HB ILE 7 - QD1 LEU 103 far 0 100 0 - 9.5-19.3 HG3 ARG 30 - QD1 LEU 2 far 0 63 0 - 9.7-13.6 HG LEU 6 - QD1 LEU 2 far 0 65 0 - 9.8-13.2 Violated in 0 structures by 0.00 A. Peak 4510 from cnoeabs.peaks (1.58, 0.86, 25.07 ppm; 2.98 A): 3 out of 15 assignments used, quality = 1.00: * HG LEU 103 + QD1 LEU 103 OK 100 100 100 100 2.1-2.1 2.1=100 HB2 LEU 103 + QD1 LEU 103 OK 99 100 100 99 1.9-3.2 3.1=87, 4502/2.1=27...(19) HD3 LYS 82 + QD2 LEU 64 OK 48 53 100 90 3.3-4.3 3.5/9758=24...(22) HB2 ARG 79 - QD1 LEU 103 poor 14 94 45 33 2.0-11.7 3.0/74=8, 3.0/74=7...(10) HD3 LYS 53 - QD1 LEU 2 far 0 43 0 - 5.9-9.0 HD3 LYS 53 - QD1 LEU 103 far 0 77 0 - 6.0-10.7 HB2 LEU 3 - QD1 LEU 2 far 0 44 0 - 6.3-7.5 HG LEU 103 - QD2 LEU 64 far 0 60 0 - 6.9-19.3 HD2 LYS 66 - QD2 LEU 64 far 0 51 0 - 7.2-9.9 HB3 GLU 28 - QD1 LEU 2 far 0 55 0 - 7.5-10.6 HD3 LYS 94 - QD1 LEU 103 far 0 96 0 - 7.6-17.1 HB2 LEU 3 - QD1 LEU 103 far 0 79 0 - 7.8-14.2 HB2 ARG 79 - QD2 LEU 64 far 0 52 0 - 7.9-9.8 HG LEU 27 - QD1 LEU 2 far 0 58 0 - 8.6-10.3 HB2 LEU 103 - QD2 LEU 64 far 0 60 0 - 8.9-18.0 Violated in 0 structures by 0.00 A. Peak 4511 from cnoeabs.peaks (0.83, 0.86, 25.07 ppm; diagonal): 2 out of 2 assignments used, quality = 0.74: QD1 LEU 103 + QD1 LEU 103 OK 61 61 - 100 QD2 LEU 64 + QD2 LEU 64 OK 32 32 - 100 Reference assignment not found: QD2 LEU 103 - QD1 LEU 103 Peak 4512 from cnoeabs.peaks (0.86, 0.86, 25.07 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 LEU 103 + QD1 LEU 103 OK 100 100 - 100 QD2 LEU 64 + QD2 LEU 64 OK 60 60 - 100 QD1 LEU 2 + QD1 LEU 2 OK 56 56 - 100 Peak 4513 from cnoeabs.peaks (8.22, 0.86, 25.07 ppm; 5.99 A): 2 out of 8 assignments used, quality = 1.00: * H GLU 104 + QD1 LEU 103 OK 100 100 100 100 1.9-4.6 4.9=100 H LYS 68 + QD2 LEU 64 OK 39 39 100 100 5.1-6.3 10773/7052=78...(13) H PHE 96 - QD1 LEU 103 poor 15 100 60 25 3.9-11.4 4505/2.1=10, 4497/2.1=7...(5) H LYS 68 - QD1 LEU 103 far 8 77 10 - 6.8-19.7 H GLU 104 - QD2 LEU 64 far 3 60 5 - 7.3-16.9 H SER 97 - QD1 LEU 103 lone 3 100 30 9 5.1-12.5 4505/2.1=3, 4.6/7662=3 H LEU 27 - QD1 LEU 2 far 0 49 0 - 9.1-11.1 H GLU 43 - QD1 LEU 2 far 0 51 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 4514 from cnoeabs.peaks (8.22, 4.13, 56.52 ppm; 3.64 A): 1 out of 3 assignments used, quality = 1.00: * H GLU 104 + HA GLU 104 OK 100 100 100 100 2.7-2.9 3.0=100 H PHE 96 - HA GLU 104 far 0 100 0 - 6.0-13.7 H SER 97 - HA GLU 104 far 0 100 0 - 8.0-15.3 Violated in 0 structures by 0.00 A. Peak 4515 from cnoeabs.peaks (4.13, 4.13, 56.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 104 + HA GLU 104 OK 100 100 - 100 Peak 4516 from cnoeabs.peaks (1.81, 4.13, 56.52 ppm; 3.34 A): 1 out of 4 assignments used, quality = 1.00: * HB2 GLU 104 + HA GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 88 - HA GLU 104 far 0 100 0 - 8.2-17.6 HB2 LYS 68 - HA GLU 104 far 0 79 0 - 8.2-18.9 HB ILE 93 - HA GLU 104 far 0 100 0 - 9.3-17.9 Violated in 0 structures by 0.00 A. Peak 4517 from cnoeabs.peaks (1.87, 4.13, 56.52 ppm; 3.32 A): 1 out of 3 assignments used, quality = 1.00: * HB3 GLU 104 + HA GLU 104 OK 100 100 100 100 2.3-2.8 3.0=100 HB2 LYS 68 - HA GLU 104 far 0 73 0 - 8.2-18.9 HB3 LYS 68 - HA GLU 104 far 0 100 0 - 9.2-19.0 Violated in 0 structures by 0.00 A. Peak 4518 from cnoeabs.peaks (2.15, 4.13, 56.52 ppm; 3.86 A): 1 out of 2 assignments used, quality = 0.99: * HG2 GLU 104 + HA GLU 104 OK 99 100 100 99 2.1-3.8 4536=88, 7666/3.0=35...(10) HB3 GLU 95 - HA GLU 104 lone 0 99 25 1 3.2-11.8 Violated in 0 structures by 0.00 A. Peak 4519 from cnoeabs.peaks (2.10, 4.13, 56.52 ppm; 3.92 A): 1 out of 3 assignments used, quality = 1.00: * HG3 GLU 104 + HA GLU 104 OK 100 100 100 100 2.0-3.9 4.1=88, 1.8/4536=72...(11) QE MET 21 - HA GLU 104 far 0 100 0 - 9.1-17.7 HB3 GLU 88 - HA GLU 104 far 0 92 0 - 9.7-17.8 Violated in 0 structures by 0.00 A. Peak 4521 from cnoeabs.peaks (8.22, 1.81, 29.84 ppm; 3.86 A): 1 out of 5 assignments used, quality = 1.00: * H GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.1-3.2 7664=100, 7665/1.8=84...(7) H PHE 96 - HB2 GLU 104 far 0 100 0 - 5.7-14.3 H GLU 104 - HB2 GLU 88 far 0 90 0 - 7.1-18.4 H SER 97 - HB2 GLU 104 far 0 100 0 - 8.1-15.7 H LYS 68 - HB2 GLU 104 far 0 77 0 - 9.4-21.0 Violated in 0 structures by 0.00 A. Peak 4522 from cnoeabs.peaks (4.13, 1.81, 29.84 ppm; 3.62 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HA PRO 86 - HB2 GLU 88 far 0 53 0 - 5.8-7.1 HA GLU 99 - HB2 GLU 104 far 0 100 0 - 7.8-14.5 HA GLU 104 - HB2 GLU 88 far 0 90 0 - 8.2-17.6 HB2 SER 59 - HB2 GLU 88 far 0 60 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 4523 from cnoeabs.peaks (1.81, 1.81, 29.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 104 + HB2 GLU 104 OK 100 100 - 100 HB2 GLU 88 + HB2 GLU 88 OK 90 90 - 100 Peak 4524 from cnoeabs.peaks (1.87, 1.81, 29.84 ppm; 2.40 A): 1 out of 7 assignments used, quality = 1.00: * HB3 GLU 104 + HB2 GLU 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 68 - HB2 GLU 104 far 0 73 0 - 6.5-18.5 HB3 GLU 104 - HB2 GLU 88 far 0 90 0 - 7.2-19.5 HB3 LYS 68 - HB2 GLU 104 far 0 100 0 - 7.3-20.1 HB3 LEU 14 - HB2 GLU 88 far 0 60 0 - 8.2-10.1 HB3 LYS 90 - HB2 GLU 88 far 0 53 0 - 9.0-9.7 HB3 LYS 90 - HB2 GLU 104 far 0 65 0 - 9.1-21.6 Violated in 0 structures by 0.00 A. Peak 4525 from cnoeabs.peaks (2.15, 1.81, 29.84 ppm; 3.20 A): 3 out of 10 assignments used, quality = 1.00: * HG2 GLU 104 + HB2 GLU 104 OK 100 100 100 100 2.2-3.0 3.0=100 HG2 GLU 88 + HB2 GLU 88 OK 89 89 100 100 2.8-3.0 3.0=100 HB VAL 83 + HB2 GLU 88 OK 54 55 100 99 2.9-3.5 3883/1.8=34, 9822=32...(29) HB3 GLU 95 - HB2 GLU 104 far 0 99 0 - 4.7-13.2 HG2 GLU 88 - HB2 GLU 104 far 0 100 0 - 7.4-19.9 HB2 PRO 86 - HB2 GLU 88 far 0 67 0 - 7.5-9.1 HG2 GLU 104 - HB2 GLU 88 far 0 90 0 - 7.6-18.7 HB VAL 83 - HB2 GLU 104 far 0 68 0 - 9.0-20.4 HB2 LEU 64 - HB2 GLU 104 far 0 68 0 - 9.3-21.5 HB3 GLU 95 - HB2 GLU 88 far 0 87 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 4526 from cnoeabs.peaks (2.10, 1.81, 29.84 ppm; 2.86 A): 3 out of 11 assignments used, quality = 1.00: * HG3 GLU 104 + HB2 GLU 104 OK 95 100 100 95 2.2-3.0 3.0=85, 4519/3.0=30...(5) HB VAL 83 + HB2 GLU 88 OK 80 84 100 96 2.9-3.5 9822=38, 2.1/9813=21...(29) HB3 GLU 88 + HB2 GLU 88 OK 78 78 100 100 1.8-1.8 1.8=100 HG3 GLU 104 - HB2 GLU 88 far 0 90 0 - 6.4-19.2 HB3 PRO 86 - HB2 GLU 88 far 0 89 0 - 7.1-8.7 HB2 PRO 86 - HB2 GLU 88 far 0 76 0 - 7.5-9.1 HB3 GLU 88 - HB2 GLU 104 far 0 92 0 - 7.6-19.6 QE MET 21 - HB2 GLU 104 far 0 100 0 - 7.7-16.6 HB VAL 83 - HB2 GLU 104 far 0 96 0 - 9.0-20.4 HB2 LEU 64 - HB2 GLU 104 far 0 96 0 - 9.3-21.5 QE MET 21 - HB2 GLU 88 far 0 90 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 4528 from cnoeabs.peaks (8.22, 1.87, 29.84 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: * H GLU 104 + HB3 GLU 104 OK 100 100 100 100 3.3-3.6 7665=100, 7664/1.8=90...(7) H PHE 96 - HB3 GLU 104 far 5 100 5 - 5.2-15.1 H SER 97 - HB3 GLU 104 far 0 100 0 - 7.4-16.6 H LEU 27 - HB2 ARG 19 far 0 43 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 4529 from cnoeabs.peaks (4.13, 1.87, 29.84 ppm; 3.67 A): 1 out of 6 assignments used, quality = 1.00: * HA GLU 104 + HB3 GLU 104 OK 100 100 100 100 2.3-2.8 3.0=100 HA GLU 23 - HB2 ARG 19 far 0 48 0 - 6.1-9.1 HA LYS 13 - HB2 ARG 19 far 0 40 0 - 8.0-10.5 HA GLU 99 - HB3 GLU 104 far 0 100 0 - 8.4-15.1 HA PRO 86 - HB2 ARG 19 far 0 31 0 - 9.0-11.7 HA LYS 24 - HB2 ARG 19 far 0 43 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 4530 from cnoeabs.peaks (1.81, 1.87, 29.84 ppm; 2.40 A): 1 out of 10 assignments used, quality = 1.00: * HB2 GLU 104 + HB3 GLU 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 LYS 90 - HB2 ARG 19 far 0 58 0 - 6.8-11.4 HB3 LYS 90 - HB2 ARG 19 far 0 43 0 - 7.0-10.0 HB2 GLU 88 - HB3 GLU 104 far 0 100 0 - 7.2-19.5 HB ILE 93 - HB3 GLU 104 far 0 100 0 - 7.7-18.3 HB2 LYS 68 - HB3 GLU 104 far 0 79 0 - 8.1-18.9 HB3 LEU 57 - HB2 ARG 19 far 0 53 0 - 8.5-10.8 HB2 LYS 90 - HB3 GLU 104 far 0 100 0 - 8.7-22.3 HB ILE 93 - HB2 ARG 19 far 0 57 0 - 9.1-10.4 HB3 LYS 90 - HB3 GLU 104 far 0 85 0 - 9.3-21.6 Violated in 0 structures by 0.00 A. Peak 4531 from cnoeabs.peaks (1.87, 1.87, 29.84 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 104 + HB3 GLU 104 OK 100 100 - 100 HB2 ARG 19 + HB2 ARG 19 OK 46 46 - 100 Peak 4532 from cnoeabs.peaks (2.15, 1.87, 29.84 ppm; 3.58 A): 2 out of 7 assignments used, quality = 1.00: * HG2 GLU 104 + HB3 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 GLU 16 + HB2 ARG 19 OK 21 50 55 77 4.2-7.6 3.0/733=22, ~798=16...(16) HB3 GLU 23 - HB2 ARG 19 far 6 57 10 - 4.5-7.7 HB3 GLU 95 - HB3 GLU 104 far 5 99 5 - 3.7-13.6 HG2 GLU 88 - HB3 GLU 104 far 0 100 0 - 7.9-18.5 HB2 PRO 86 - HB2 ARG 19 far 0 40 0 - 8.9-11.9 HB2 LEU 64 - HB3 GLU 104 far 0 68 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 4533 from cnoeabs.peaks (2.10, 1.87, 29.84 ppm; 3.47 A): 1 out of 11 assignments used, quality = 1.00: * HG3 GLU 104 + HB3 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB2 GLU 16 - HB2 ARG 19 poor 16 46 35 - 4.2-6.7 HB2 GLU 23 - HB2 ARG 19 far 0 55 0 - 5.3-8.8 QE MET 21 - HB3 GLU 104 far 0 100 0 - 7.5-17.8 QE MET 21 - HB2 ARG 19 far 0 58 0 - 8.0-8.7 HB3 GLU 88 - HB3 GLU 104 far 0 92 0 - 8.7-19.2 HG3 GLU 28 - HB2 ARG 19 far 0 33 0 - 8.8-12.2 HB2 PRO 86 - HB2 ARG 19 far 0 46 0 - 8.9-11.9 HG2 GLU 28 - HB2 ARG 19 far 0 33 0 - 9.1-11.9 HB3 PRO 86 - HB2 ARG 19 far 0 57 0 - 9.1-12.1 HB2 LEU 64 - HB3 GLU 104 far 0 96 0 - 10.0-19.9 Violated in 0 structures by 0.00 A. Peak 4535 from cnoeabs.peaks (8.22, 2.15, 35.78 ppm; 4.26 A): 3 out of 6 assignments used, quality = 1.00: * H GLU 104 + HG2 GLU 104 OK 100 100 100 100 1.9-4.4 7664/3.0=80, 7665/3.0=75...(7) H GLU 43 + HG2 GLU 44 OK 59 79 90 83 3.9-6.5 6704/6713=55...(9) H LYS 68 + HG2 GLU 69 OK 45 51 95 92 4.4-6.7 7122/5.1=36, 9533=34...(13) H PHE 96 - HG2 GLU 104 far 5 100 5 - 5.7-14.9 H SER 97 - HG2 GLU 104 far 0 100 0 - 7.9-16.5 H LYS 68 - HG2 GLU 104 far 0 77 0 - 8.5-20.7 Violated in 0 structures by 0.00 A. Peak 4536 from cnoeabs.peaks (4.13, 2.15, 35.78 ppm; 4.03 A): 1 out of 5 assignments used, quality = 1.00: * HA GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.1-3.8 4518=100, 4519/1.8=78...(11) HA GLU 62 - HG2 GLU 69 far 0 75 0 - 6.4-10.0 HA GLN 72 - HG2 GLU 69 far 0 54 0 - 7.2-9.7 HA GLU 99 - HG2 GLU 104 far 0 100 0 - 7.8-15.4 HA LYS 47 - HG2 GLU 44 far 0 86 0 - 7.9-10.2 Violated in 0 structures by 0.00 A. Peak 4537 from cnoeabs.peaks (1.81, 2.15, 35.78 ppm; 3.58 A): 1 out of 15 assignments used, quality = 1.00: * HB2 GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 68 - HG2 GLU 69 poor 11 53 20 - 4.2-8.3 HB2 LYS 68 - HG2 GLU 104 far 0 79 0 - 6.0-19.0 HB2 LEU 42 - HG2 GLU 44 far 0 94 0 - 6.0-8.7 HG2 ARG 46 - HG2 GLU 44 far 0 87 0 - 6.6-9.5 HB ILE 93 - HG2 GLU 104 far 0 100 0 - 7.4-18.8 HB2 GLU 88 - HG2 GLU 104 far 0 100 0 - 7.6-18.7 HG3 ARG 46 - HG2 GLU 44 far 0 80 0 - 8.1-9.8 HB2 LYS 90 - HG2 GLU 104 far 0 100 0 - 8.3-22.1 HB2 LYS 39 - HG2 GLU 44 far 0 91 0 - 8.3-12.3 HB2 LYS 39 - HG2 GLU 69 far 0 72 0 - 8.5-11.9 HB VAL 78 - HG2 GLU 104 far 0 79 0 - 8.6-18.2 HB3 LYS 90 - HG2 GLU 104 far 0 85 0 - 9.0-21.8 HB3 LEU 57 - HG2 GLU 104 far 0 96 0 - 9.5-18.8 HB3 GLU 63 - HG2 GLU 69 far 0 50 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 4538 from cnoeabs.peaks (1.87, 2.15, 35.78 ppm; 3.33 A): 2 out of 13 assignments used, quality = 1.00: * HB3 GLU 104 + HG2 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 68 + HG2 GLU 69 OK 42 76 90 61 4.0-7.3 4.6/3110=16, 4.0/9533=14...(15) HB2 GLU 43 - HG2 GLU 44 poor 20 57 35 - 4.1-7.2 HB2 LYS 68 - HG2 GLU 69 poor 10 48 20 - 4.2-8.3 HB3 LYS 66 - HG2 GLU 69 far 0 73 0 - 5.3-8.0 HB2 LYS 68 - HG2 GLU 104 far 0 73 0 - 6.0-19.0 HG LEU 42 - HG2 GLU 44 far 0 74 0 - 6.1-9.0 HB3 LYS 68 - HG2 GLU 104 far 0 100 0 - 6.5-20.1 HB3 LYS 39 - HG2 GLU 69 far 0 74 0 - 7.5-12.2 HB3 LYS 39 - HG2 GLU 44 far 0 93 0 - 8.2-11.7 HB VAL 54 - HG2 GLU 44 far 0 88 0 - 9.0-12.3 HB3 LYS 90 - HG2 GLU 104 far 0 65 0 - 9.0-21.8 HB VAL 54 - HG2 GLU 104 far 0 96 0 - 9.6-18.3 Violated in 0 structures by 0.00 A. Peak 4539 from cnoeabs.peaks (2.15, 2.15, 35.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 104 + HG2 GLU 104 OK 100 100 - 100 HG2 GLU 44 + HG2 GLU 44 OK 90 90 - 100 HG2 GLU 69 + HG2 GLU 69 OK 63 63 - 100 Peak 4540 from cnoeabs.peaks (2.10, 2.15, 35.78 ppm; 2.40 A): 3 out of 17 assignments used, quality = 1.00: * HG3 GLU 104 + HG2 GLU 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 69 + HG2 GLU 69 OK 44 53 100 84 2.2-3.0 3.0=52, 3108/1.8=16...(14) HB3 GLU 69 + HG2 GLU 69 OK 44 53 100 83 2.4-2.9 3.0=52, 3100/1.8=16...(12) HB3 GLU 43 - HG2 GLU 44 poor 8 63 60 20 3.2-6.5 4.4/6713=13, 4.0/4535=4...(4) HB3 GLU 35 - HG2 GLU 69 far 0 67 0 - 6.5-9.6 QE MET 21 - HG2 GLU 104 far 0 100 0 - 7.4-18.2 HB2 LEU 64 - HG2 GLU 104 far 0 96 0 - 7.4-19.6 HB3 GLU 37 - HG2 GLU 44 far 0 71 0 - 7.7-13.6 HB2 LEU 64 - HG2 GLU 69 far 0 69 0 - 7.8-11.2 HB3 GLU 62 - HG2 GLU 69 far 0 73 0 - 7.9-11.5 HB3 LEU 38 - HG2 GLU 69 far 0 58 0 - 8.1-11.2 HB3 GLU 88 - HG2 GLU 104 far 0 92 0 - 8.7-19.0 HB2 MET 74 - HG2 GLU 44 far 0 59 0 - 9.2-11.0 HG3 GLU 28 - HG2 GLU 44 far 0 61 0 - 9.3-13.5 HB3 LEU 38 - HG2 GLU 44 far 0 76 0 - 9.6-12.6 HG2 GLU 28 - HG2 GLU 44 far 0 61 0 - 9.6-13.7 HG3 GLU 37 - HG2 GLU 44 far 0 90 0 - 9.7-14.7 Violated in 0 structures by 0.00 A. Peak 4542 from cnoeabs.peaks (8.22, 2.10, 35.78 ppm; 4.65 A): 2 out of 5 assignments used, quality = 1.00: * H GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.0-4.1 7664/3.0=89, 4.9=85...(7) H LYS 68 + HG2 GLU 69 OK 31 36 95 91 4.4-6.7 7122/5.1=43...(13) H PHE 96 - HG3 GLU 104 far 0 100 0 - 6.4-14.4 H SER 97 - HG3 GLU 104 far 0 100 0 - 8.0-15.8 H LYS 68 - HG3 GLU 104 far 0 77 0 - 9.9-20.1 Violated in 0 structures by 0.00 A. Peak 4543 from cnoeabs.peaks (4.13, 2.10, 35.78 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: * HA GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.0-3.9 4.1=100 HA GLU 62 - HG2 GLU 69 far 0 55 0 - 6.4-10.0 HA GLN 72 - HG2 GLU 69 far 0 38 0 - 7.2-9.7 HA GLU 99 - HG3 GLU 104 far 0 100 0 - 8.1-14.2 Violated in 0 structures by 0.00 A. Peak 4544 from cnoeabs.peaks (1.81, 2.10, 35.78 ppm; 3.59 A): 1 out of 12 assignments used, quality = 1.00: * HB2 GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.2-3.0 3.0=100 HB2 LYS 68 - HG2 GLU 69 poor 7 37 20 - 4.2-8.3 HB2 GLU 88 - HG3 GLU 104 far 0 100 0 - 6.4-19.2 HB2 LYS 68 - HG3 GLU 104 far 0 79 0 - 7.3-19.4 HB2 LYS 90 - HG3 GLU 104 far 0 100 0 - 7.6-23.0 HB ILE 93 - HG3 GLU 104 far 0 100 0 - 7.8-19.1 HB2 LYS 39 - HG2 GLU 69 far 0 53 0 - 8.5-11.9 HB3 LYS 90 - HG3 GLU 104 far 0 85 0 - 8.6-22.9 HB VAL 78 - HG3 GLU 104 far 0 79 0 - 9.2-17.5 HB3 LEU 57 - HG3 GLU 104 far 0 96 0 - 9.5-20.3 HB3 GLU 63 - HG2 GLU 69 far 0 35 0 - 9.6-11.8 HB2 LYS 53 - HG3 GLU 104 far 0 73 0 - 9.8-17.0 Violated in 0 structures by 0.00 A. Peak 4545 from cnoeabs.peaks (1.87, 2.10, 35.78 ppm; 3.47 A): 2 out of 10 assignments used, quality = 1.00: * HB3 GLU 104 + HG3 GLU 104 OK 100 100 100 100 2.3-3.0 3.0=100 HB3 LYS 68 + HG2 GLU 69 OK 31 56 95 57 4.0-7.3 7125/5.1=17...(16) HB2 LYS 68 - HG2 GLU 69 poor 7 34 20 - 4.2-8.3 HB3 LYS 66 - HG2 GLU 69 far 0 54 0 - 5.3-8.0 HB2 LYS 68 - HG3 GLU 104 far 0 73 0 - 7.3-19.4 HB3 LYS 39 - HG2 GLU 69 far 0 54 0 - 7.5-12.2 HB3 LYS 68 - HG3 GLU 104 far 0 100 0 - 8.0-19.2 HB3 LYS 90 - HG3 GLU 104 far 0 65 0 - 8.6-22.9 HB VAL 54 - HG3 GLU 104 far 0 96 0 - 9.7-18.3 HB2 LYS 53 - HG3 GLU 104 far 0 79 0 - 9.8-17.0 Violated in 0 structures by 0.00 A. Peak 4546 from cnoeabs.peaks (2.15, 2.10, 35.78 ppm; 2.40 A): 3 out of 9 assignments used, quality = 1.00: * HG2 GLU 104 + HG3 GLU 104 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 GLU 69 + HG2 GLU 69 OK 37 45 100 82 2.2-3.0 3.0=52, 3100/1.8=20...(13) HB3 GLU 69 + HG2 GLU 69 OK 37 45 100 82 2.4-2.9 3.0=52, 3108/1.8=20...(12) HB3 GLU 95 - HG3 GLU 104 far 0 99 0 - 4.4-12.5 HB2 GLN 72 - HG2 GLU 69 far 0 50 0 - 6.2-8.7 HG2 GLU 88 - HG3 GLU 104 far 0 100 0 - 7.0-20.6 HB2 LEU 64 - HG2 GLU 69 far 0 31 0 - 7.8-11.2 HB2 LEU 64 - HG3 GLU 104 far 0 68 0 - 8.5-20.6 HB VAL 83 - HG3 GLU 104 far 0 68 0 - 9.1-20.8 Violated in 0 structures by 0.00 A. Peak 4547 from cnoeabs.peaks (2.10, 2.10, 35.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 104 + HG3 GLU 104 OK 100 100 - 100 HG2 GLU 69 + HG2 GLU 69 OK 37 37 - 100 Peak 4549 from cnoeabs.peaks (8.15, 4.59, 55.54 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 106 + HA HIS 105 OK 100 100 100 100 2.1-3.6 3.6=100 H TRP 92 - HA HIS 105 far 0 94 0 - 7.5-18.7 H GLY 100 - HA HIS 105 far 0 96 0 - 8.0-16.7 H LYS 68 - HA HIS 105 far 0 73 0 - 9.9-21.4 Violated in 0 structures by 0.00 A. Peak 4550 from cnoeabs.peaks (4.59, 4.59, 55.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA HIS 105 + HA HIS 105 OK 100 100 - 100 Peak 4551 from cnoeabs.peaks (3.12, 4.59, 55.54 ppm; 3.22 A): 1 out of 3 assignments used, quality = 1.00: * HB2 HIS 105 + HA HIS 105 OK 100 100 100 100 2.4-3.0 3.0=100 HB2 TRP 92 - HA HIS 105 far 0 87 0 - 7.3-15.8 HB2 PHE 96 - HA HIS 105 far 0 84 0 - 9.6-17.1 Violated in 0 structures by 0.00 A. Peak 4552 from cnoeabs.peaks (3.06, 4.59, 55.54 ppm; 2.93 A): 1 out of 6 assignments used, quality = 0.93: * HB3 HIS 105 + HA HIS 105 OK 93 100 100 93 2.4-2.7 3.0=92, 11097/3.6=12 HB3 HIS 106 - HA HIS 105 far 0 99 0 - 4.5-6.6 HD3 ARG 79 - HA HIS 105 far 0 99 0 - 5.0-13.2 HD2 ARG 79 - HA HIS 105 far 0 100 0 - 6.7-14.2 HB2 TRP 92 - HA HIS 105 far 0 65 0 - 7.3-15.8 HB2 PHE 96 - HA HIS 105 far 0 70 0 - 9.6-17.1 Violated in 0 structures by 0.00 A. Peak 4553 from cnoeabs.peaks (8.15, 3.18, 30.00 ppm; 4.31 A): 2 out of 9 assignments used, quality = 1.00: * H HIS 106 + HB2 HIS 106 OK 100 100 100 100 2.2-4.0 4.0=100 H TRP 92 + HB3 TRP 92 OK 75 75 100 100 2.3-3.6 4.0=100 H TRP 92 - HB2 HIS 106 far 0 94 0 - 7.2-21.2 H HIS 106 - HB3 TRP 92 far 0 84 0 - 7.5-18.7 H ASP 87 - HB3 TRP 92 far 0 69 0 - 8.4-10.2 H LYS 68 - HB2 HIS 106 far 0 73 0 - 8.5-24.5 H ASP 87 - HB2 HIS 106 far 0 88 0 - 9.2-27.9 H GLY 100 - HB3 TRP 92 far 0 77 0 - 9.3-11.5 H GLY 100 - HB2 HIS 106 far 0 96 0 - 9.8-21.7 Violated in 0 structures by 0.00 A. Peak 4554 from cnoeabs.peaks (4.59, 3.12, 30.00 ppm; 3.71 A): 1 out of 2 assignments used, quality = 1.00: * HA HIS 105 + HB2 HIS 105 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 105 - HB2 TRP 92 far 0 61 0 - 7.3-15.8 Violated in 0 structures by 0.00 A. Peak 4555 from cnoeabs.peaks (3.12, 3.12, 30.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 HIS 105 + HB2 HIS 105 OK 100 100 - 100 HB2 TRP 92 + HB2 TRP 92 OK 47 47 - 100 Peak 4556 from cnoeabs.peaks (3.06, 3.12, 30.00 ppm; 2.40 A): 1 out of 11 assignments used, quality = 1.00: * HB3 HIS 105 + HB2 HIS 105 OK 100 100 100 100 1.8-1.8 1.8=100 HB3 HIS 106 - HB2 HIS 105 far 0 99 0 - 4.4-7.4 HD3 ARG 79 - HB2 HIS 105 far 0 99 0 - 5.1-15.5 HB2 PHE 96 - HB2 TRP 92 far 0 35 0 - 5.2-6.8 HD3 ARG 79 - HB2 TRP 92 far 0 59 0 - 5.6-12.0 HB3 HIS 105 - HB2 TRP 92 far 0 61 0 - 5.7-17.7 HB3 HIS 106 - HB2 TRP 92 far 0 57 0 - 6.0-19.5 HD2 ARG 79 - HB2 TRP 92 far 0 59 0 - 6.1-12.0 HD2 ARG 79 - HB2 HIS 105 far 0 100 0 - 6.3-16.3 HB2 TRP 92 - HB2 HIS 105 far 0 65 0 - 6.4-17.8 HB2 PHE 96 - HB2 HIS 105 far 0 70 0 - 7.7-18.7 Violated in 0 structures by 0.00 A. Peak 4557 from cnoeabs.peaks (8.15, 3.06, 30.00 ppm; 4.59 A): 2 out of 9 assignments used, quality = 1.00: * H HIS 106 + HB3 HIS 105 OK 99 100 100 99 2.2-4.5 4.7=96, 3.6/4552=83 H HIS 106 + HB3 HIS 106 OK 97 97 100 100 2.3-3.7 4.0=100 H GLY 100 - HB3 HIS 105 far 0 96 0 - 6.4-18.4 H TRP 92 - HB3 HIS 105 far 0 94 0 - 6.5-20.8 H TRP 92 - HB3 HIS 106 far 0 88 0 - 6.6-21.2 H LYS 68 - HB3 HIS 105 far 0 73 0 - 8.7-23.6 H ASP 87 - HB3 HIS 106 far 0 82 0 - 9.4-27.9 H GLY 100 - HB3 HIS 106 far 0 90 0 - 9.5-20.8 H LYS 68 - HB3 HIS 106 far 0 67 0 - 9.9-23.8 Violated in 0 structures by 0.00 A. Peak 4558 from cnoeabs.peaks (4.59, 3.06, 30.00 ppm; 3.37 A): 1 out of 4 assignments used, quality = 1.00: * HA HIS 105 + HB3 HIS 105 OK 100 100 100 100 2.4-2.7 3.0=100 HA HIS 105 - HB3 HIS 106 lone 1 97 25 6 4.5-6.6 ~11095=3, ~11094=2 HA ASP 77 - HB3 HIS 105 far 0 87 0 - 9.8-21.3 HA THR 84 - HB3 HIS 106 far 0 92 0 - 9.9-28.4 Violated in 0 structures by 0.00 A. Peak 4559 from cnoeabs.peaks (3.12, 3.06, 30.00 ppm; 2.40 A): 1 out of 5 assignments used, quality = 1.00: * HB2 HIS 105 + HB3 HIS 105 OK 100 100 100 100 1.8-1.8 1.8=100 HB2 HIS 105 - HB3 HIS 106 far 0 97 0 - 4.4-7.4 HB2 TRP 92 - HB3 HIS 105 far 0 87 0 - 5.7-17.7 HB2 TRP 92 - HB3 HIS 106 far 0 80 0 - 6.0-19.5 HB2 PHE 96 - HB3 HIS 105 far 0 84 0 - 7.4-19.2 Violated in 0 structures by 0.00 A. Peak 4560 from cnoeabs.peaks (3.06, 3.06, 30.00 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 HIS 105 + HB3 HIS 105 OK 100 100 - 100 HB3 HIS 106 + HB3 HIS 106 OK 94 94 - 100 Peak 5501 from cnoeabs.peaks (5.14, 6.43, 132.25 ppm; 5.58 A): 4 out of 4 assignments used, quality = 1.00: * HA TYR 4 + QD TYR 4 OK 100 100 100 100 2.1-3.1 3.7=100 HA LEU 3 + QD TYR 4 OK 96 96 100 100 2.9-4.4 99/4.5=79, 8062=48...(27) HA VAL 54 + QD TYR 4 OK 96 96 100 100 3.3-4.2 10204/2.5=84...(32) HA VAL 5 + QD TYR 4 OK 63 63 100 100 5.7-5.9 3.0/6050=91, ~6049=64...(13) Violated in 0 structures by 0.00 A. Peak 5502 from cnoeabs.peaks (2.29, 6.43, 132.25 ppm; 6.02 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 4 + QD TYR 4 OK 100 100 100 100 2.3-2.6 2.5=100 HB2 GLU 48 + QD TYR 4 OK 34 100 35 98 6.0-8.8 8130/2.2=44...(16) HB2 TYR 41 - QD TYR 4 poor 18 88 35 59 6.9-8.8 8230/8209=36...(6) HG2 GLU 23 - QD TYR 4 far 9 91 10 - 7.3-11.5 Violated in 0 structures by 0.00 A. Peak 5503 from cnoeabs.peaks (2.46, 6.43, 132.25 ppm; 5.35 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TYR 4 + QD TYR 4 OK 100 100 100 100 2.3-2.8 2.5=100 HG3 GLU 48 + QD TYR 4 OK 58 79 80 91 5.5-7.5 8129/2.2=36, ~8130=23...(16) HG3 GLU 23 - QD TYR 4 far 0 73 0 - 8.7-10.9 HG3 GLN 50 - QD TYR 4 far 0 82 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 5504 from cnoeabs.peaks (6.43, 6.43, 132.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 4 + QD TYR 4 OK 100 100 - 100 Peak 5505 from cnoeabs.peaks (6.45, 6.43, 132.25 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: QD TYR 4 + QD TYR 4 OK 97 97 - 100 Reference assignment not found: QE TYR 4 - QD TYR 4 Peak 5506 from cnoeabs.peaks (6.43, 6.45, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: QE TYR 4 + QE TYR 4 OK 97 97 - 100 Reference assignment not found: QD TYR 4 - QE TYR 4 Peak 5507 from cnoeabs.peaks (6.45, 6.45, 118.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 4 + QE TYR 4 OK 100 100 - 100 Peak 5508 from cnoeabs.peaks (3.93, 6.83, 131.89 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + QD TYR 41 OK 100 100 100 100 2.1-2.9 3.7=100 HA GLU 44 - QD TYR 41 far 0 99 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 5509 from cnoeabs.peaks (2.31, 6.83, 131.89 ppm; 5.37 A): 2 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + QD TYR 41 OK 100 100 100 100 2.3-2.8 2.5=100 HG3 GLU 44 + QD TYR 41 OK 30 59 55 92 4.3-7.9 3.0/8988=68, 4.8/8984=51...(10) HG3 GLU 43 - QD TYR 41 poor 20 99 20 - 6.7-7.8 HB2 TYR 4 - QD TYR 41 far 0 88 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 5510 from cnoeabs.peaks (2.64, 6.83, 131.89 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 41 + QD TYR 41 OK 100 100 100 100 2.3-2.8 2.5=100 HD2 ARG 30 + QD TYR 41 OK 67 67 100 100 3.2-4.8 1.8/8710=47, ~8897=47...(25) HG3 MET 74 - QD TYR 41 far 0 96 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 5511 from cnoeabs.peaks (6.83, 6.83, 131.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 41 + QD TYR 41 OK 100 100 - 100 Peak 5512 from cnoeabs.peaks (6.85, 6.83, 131.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.85: QD TYR 41 + QD TYR 41 OK 85 85 - 100 Reference assignment not found: QE TYR 41 - QD TYR 41 Peak 5513 from cnoeabs.peaks (6.83, 6.85, 118.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: QE TYR 41 + QE TYR 41 OK 87 87 - 100 Reference assignment not found: QD TYR 41 - QE TYR 41 Peak 5514 from cnoeabs.peaks (6.85, 6.85, 118.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 41 + QE TYR 41 OK 100 100 - 100 Peak 5515 from cnoeabs.peaks (4.52, 6.66, 129.63 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + QD PHE 45 OK 100 100 100 100 2.0-2.4 3.7=100 Violated in 0 structures by 0.00 A. Peak 5516 from cnoeabs.peaks (2.98, 6.66, 129.63 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 45 + QD PHE 45 OK 100 100 100 100 2.4-2.8 2.5=100 HB3 PHE 45 + QD PHE 45 OK 95 95 100 100 2.3-2.8 2.5=100 HE2 LYS 47 - QD PHE 45 poor 20 98 20 - 5.7-8.4 HE3 LYS 47 - QD PHE 45 far 5 98 5 - 6.0-9.3 Violated in 0 structures by 0.00 A. Peak 5517 from cnoeabs.peaks (2.97, 6.66, 129.63 ppm; 4.76 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 45 + QD PHE 45 OK 100 100 100 100 2.3-2.8 2.5=100 HB2 PHE 45 + QD PHE 45 OK 95 95 100 100 2.4-2.8 2.5=100 HE2 LYS 47 - QD PHE 45 poor 20 99 20 - 5.7-8.4 HE3 LYS 47 - QD PHE 45 far 5 99 5 - 6.0-9.3 Violated in 0 structures by 0.00 A. Peak 5518 from cnoeabs.peaks (6.66, 6.66, 129.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 45 + QD PHE 45 OK 99 99 - 100 Peak 5519 from cnoeabs.peaks (6.51, 6.66, 129.63 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QD PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5520 from cnoeabs.peaks (6.14, 6.66, 129.63 ppm; 6.10 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QD PHE 45 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 5521 from cnoeabs.peaks (6.66, 6.51, 129.73 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5522 from cnoeabs.peaks (6.51, 6.51, 129.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QE PHE 45 OK 100 100 - 100 Peak 5523 from cnoeabs.peaks (6.14, 6.51, 129.73 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5525 from cnoeabs.peaks (6.51, 6.14, 127.52 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + HZ PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5526 from cnoeabs.peaks (6.14, 6.14, 127.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 5527 from cnoeabs.peaks (4.82, 6.87, 127.01 ppm; 4.81 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.3-2.6 4.5=100 HA VAL 83 - HD1 TRP 92 far 0 90 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 5528 from cnoeabs.peaks (3.10, 6.87, 127.01 ppm; 4.99 A): 1 out of 6 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 100 100 3.5-3.8 3.9=100 HB2 HIS 105 - HD1 TRP 92 far 9 87 10 - 5.5-18.6 HB3 HIS 105 - HD1 TRP 92 far 3 65 5 - 4.1-19.0 HB2 PHE 96 - HD1 TRP 92 far 0 100 0 - 7.7-8.8 HD3 ARG 79 - HD1 TRP 92 far 0 82 0 - 8.9-13.7 HD2 ARG 79 - HD1 TRP 92 far 0 79 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 5529 from cnoeabs.peaks (3.19, 6.87, 127.01 ppm; 5.26 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 92 + HD1 TRP 92 OK 100 100 100 100 3.4-3.7 3.9=100 HB2 HIS 106 - HD1 TRP 92 far 15 99 15 - 4.7-20.0 Violated in 0 structures by 0.00 A. Peak 5530 from cnoeabs.peaks (6.87, 6.87, 127.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 92 + HD1 TRP 92 OK 100 100 - 100 Peak 5532 from cnoeabs.peaks (10.29, 6.87, 127.01 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HE1 TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 5537 from cnoeabs.peaks (7.43, 7.43, 120.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 92 + HE3 TRP 92 OK 100 100 - 100 Peak 5539 from cnoeabs.peaks (7.07, 7.43, 120.39 ppm; 4.47 A): 1 out of 3 assignments used, quality = 1.00: * HZ3 TRP 92 + HE3 TRP 92 OK 100 100 100 100 2.5-2.5 2.5=100 QD PHE 96 - HE3 TRP 92 far 0 68 0 - 6.4-7.8 HZ PHE 96 - HE3 TRP 92 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 5541 from cnoeabs.peaks (7.24, 7.43, 120.39 ppm; 6.26 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 92 + HE3 TRP 92 OK 100 100 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 5543 from cnoeabs.peaks (7.43, 7.07, 122.39 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.96: * HE3 TRP 92 + HZ3 TRP 92 OK 96 96 100 100 2.5-2.5 2.5=100 H ALA 89 - HZ3 TRP 92 far 0 95 0 - 7.0-7.8 H ARG 91 - HZ3 TRP 92 far 0 53 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 5545 from cnoeabs.peaks (7.07, 7.07, 122.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * HZ3 TRP 92 + HZ3 TRP 92 OK 96 96 - 100 Peak 5547 from cnoeabs.peaks (7.24, 7.07, 122.39 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.96: * HH2 TRP 92 + HZ3 TRP 92 OK 96 96 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 5550 from cnoeabs.peaks (10.29, 7.49, 114.58 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.98: * HE1 TRP 92 + HZ2 TRP 92 OK 98 98 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 5551 from cnoeabs.peaks (7.07, 7.49, 114.58 ppm; 5.17 A): 1 out of 2 assignments used, quality = 0.98: * HZ3 TRP 92 + HZ2 TRP 92 OK 98 98 100 100 4.3-4.3 4.3=100 QD PHE 96 - HZ2 TRP 92 far 0 64 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 5552 from cnoeabs.peaks (7.49, 7.49, 114.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ2 TRP 92 + HZ2 TRP 92 OK 98 98 - 100 Peak 5553 from cnoeabs.peaks (7.24, 7.49, 114.58 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.98: * HH2 TRP 92 + HZ2 TRP 92 OK 98 98 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 5555 from cnoeabs.peaks (7.43, 7.24, 124.39 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.96: * HE3 TRP 92 + HH2 TRP 92 OK 96 96 100 100 4.3-4.3 4.3=100 H ALA 89 - HH2 TRP 92 far 0 95 0 - 7.5-8.1 H ARG 91 - HH2 TRP 92 far 0 53 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 5557 from cnoeabs.peaks (7.07, 7.24, 124.39 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.95: * HZ3 TRP 92 + HH2 TRP 92 OK 95 95 100 100 2.4-2.4 2.4=100 QD PHE 96 - HH2 TRP 92 far 0 60 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 5558 from cnoeabs.peaks (7.49, 7.24, 124.39 ppm; 3.92 A): 1 out of 2 assignments used, quality = 0.96: * HZ2 TRP 92 + HH2 TRP 92 OK 96 96 100 100 2.5-2.5 2.5=100 H ARG 91 - HH2 TRP 92 far 0 83 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 5559 from cnoeabs.peaks (7.24, 7.24, 124.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.96: * HH2 TRP 92 + HH2 TRP 92 OK 96 96 - 100 Peak 5560 from cnoeabs.peaks (4.51, 7.03, 131.42 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 96 + QD PHE 96 OK 100 100 100 100 1.9-3.1 3.7=100 Violated in 0 structures by 0.00 A. Peak 5561 from cnoeabs.peaks (3.10, 7.03, 131.42 ppm; 5.35 A): 4 out of 7 assignments used, quality = 1.00: * HB2 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.5 2.4=100 HD3 ARG 79 + QD PHE 96 OK 73 85 90 95 3.8-7.5 ~10912=38, 10912/2.2=36...(13) HD2 ARG 79 + QD PHE 96 OK 71 82 90 96 2.3-7.1 10912/2.2=39...(16) HB2 TRP 92 + QD PHE 96 OK 59 100 75 78 4.9-7.1 9987/9284=39...(12) HB2 HIS 105 - QD PHE 96 far 4 84 5 - 5.4-15.0 HB3 HIS 105 - QD PHE 96 far 3 70 5 - 5.5-15.3 HB3 ASN 26 - QD PHE 96 far 0 73 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 5562 from cnoeabs.peaks (3.47, 7.03, 131.42 ppm; 5.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.7 2.4=100 Violated in 0 structures by 0.00 A. Peak 5563 from cnoeabs.peaks (7.03, 7.03, 131.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 96 + QD PHE 96 OK 100 100 - 100 Peak 5564 from cnoeabs.peaks (6.95, 7.03, 131.42 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 96 + QD PHE 96 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5565 from cnoeabs.peaks (7.06, 7.03, 131.42 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: QD PHE 96 + QD PHE 96 OK 73 73 - 100 Reference assignment not found: HZ PHE 96 - QD PHE 96 Peak 5566 from cnoeabs.peaks (7.03, 6.95, 131.21 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.99: * QD PHE 96 + QE PHE 96 OK 97 97 100 100 2.2-2.2 2.2=100 HZ PHE 96 + QE PHE 96 OK 68 68 100 100 2.2-2.2 2.2=100 HZ3 TRP 92 - QE PHE 96 far 0 66 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 5567 from cnoeabs.peaks (6.95, 6.95, 131.21 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QE PHE 96 + QE PHE 96 OK 97 97 - 100 Peak 5568 from cnoeabs.peaks (7.06, 6.95, 131.21 ppm; 4.16 A): 2 out of 3 assignments used, quality = 0.99: * HZ PHE 96 + QE PHE 96 OK 97 97 100 100 2.2-2.2 2.2=100 QD PHE 96 + QE PHE 96 OK 68 68 100 100 2.2-2.2 2.2=100 HZ3 TRP 92 - QE PHE 96 far 0 97 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 5569 from cnoeabs.peaks (7.03, 7.06, 131.18 ppm; diagonal): 1 out of 1 assignment used, quality = 0.58: HZ PHE 96 + HZ PHE 96 OK 58 58 - 100 Reference assignment not found: QD PHE 96 - HZ PHE 96 Peak 5570 from cnoeabs.peaks (6.95, 7.06, 131.18 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.87: * QE PHE 96 + HZ PHE 96 OK 87 87 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 5571 from cnoeabs.peaks (7.06, 7.06, 131.18 ppm; diagonal): 1 out of 1 assignment used, quality = 0.88: * HZ PHE 96 + HZ PHE 96 OK 88 88 - 100 Peak 8001 from cnoeabs.peaks (7.69, 4.16, 54.51 ppm; 5.48 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 51 + HA MET 1 OK 100 100 100 100 1.8-6.8 3.5/8005=82, 3.5/8006=76...(30) H SER 49 - HA MET 1 far 0 71 0 - 8.0-11.9 Violated in 2 structures by 0.11 A. Peak 8002 from cnoeabs.peaks (4.46, 4.16, 54.51 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 2 + HA MET 1 OK 100 100 100 100 4.3-4.5 3.0/8=94, 3.7/8008=59...(10) HA GLU 48 - HA MET 1 far 0 73 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 8003 from cnoeabs.peaks (4.97, 4.16, 54.51 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.54: HA ASN 51 + HA MET 1 OK 54 99 55 100 4.5-7.2 3.0/8005=72, 3.0/8006=65...(26) Violated in 19 structures by 1.23 A. Peak 8004 from cnoeabs.peaks (5.33, 4.16, 54.51 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 52 + HA MET 1 OK 99 100 100 100 3.7-6.1 8044/8=66, 8033/37=52...(16) Violated in 9 structures by 0.33 A. Peak 8005 from cnoeabs.peaks (2.93, 4.16, 54.51 ppm; 4.30 A): 1 out of 2 assignments used, quality = 0.94: HB2 ASN 51 + HA MET 1 OK 94 94 100 100 2.1-5.5 9131=77, 1.8/8006=67...(17) HB3 PHE 45 - HA MET 1 far 0 59 0 - 10.0-13.3 Violated in 7 structures by 0.15 A. Peak 8006 from cnoeabs.peaks (2.67, 4.16, 54.51 ppm; 4.71 A): 1 out of 2 assignments used, quality = 0.94: HB3 ASN 51 + HA MET 1 OK 94 99 95 100 2.9-6.5 9134=94, 1.8/8005=88...(28) HB3 ASP 77 - HA MET 1 far 0 73 0 - 8.5-11.5 Violated in 8 structures by 0.27 A. Peak 8007 from cnoeabs.peaks (1.69, 4.16, 54.51 ppm; 5.24 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 2 + HA MET 1 OK 100 100 100 100 4.3-5.7 4.0/8=81, 3.0/8002=69...(13) HB ILE 52 + HA MET 1 OK 50 87 60 96 5.4-8.5 3.0/8004=76, 6010/8=32...(8) HB3 LYS 53 - HA MET 1 far 5 99 5 - 6.0-9.7 Violated in 1 structures by 0.02 A. Peak 8008 from cnoeabs.peaks (1.50, 4.16, 54.51 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.98: HG LEU 2 + HA MET 1 OK 98 99 100 100 4.0-5.9 6012/8=80, 3.7/8002=66...(14) HG3 LYS 53 - HA MET 1 far 10 65 15 - 6.3-8.7 Violated in 12 structures by 0.14 A. Peak 8009 from cnoeabs.peaks (1.32, 4.16, 54.51 ppm; 5.64 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 2 + HA MET 1 OK 99 99 100 100 4.4-5.7 4.0/8=88, 10355=88...(16) HG LEU 3 + HA MET 1 OK 85 85 100 100 5.2-6.5 ~8013=56, ~8012=55...(14) QB ALA 25 - HA MET 1 far 0 96 0 - 9.6-12.4 HB3 LEU 27 - HA MET 1 far 0 92 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 8010 from cnoeabs.peaks (0.80, 4.16, 54.51 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: QD2 LEU 2 + HA MET 1 OK 100 100 100 100 2.7-5.4 2.1/8008=69, 4.7/8=68...(20) QG2 ILE 52 + HA MET 1 OK 61 84 75 98 3.8-7.4 3.2/8004=69...(14) QD1 LEU 27 - HA MET 1 far 0 65 0 - 8.9-11.0 Violated in 1 structures by 0.01 A. Peak 8011 from cnoeabs.peaks (0.25, 1.94, 32.61 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 3 + HB2 MET 1 OK 99 99 100 100 4.0-6.2 8022/3.0=89, 8018/3.0=87...(19) QD2 LEU 3 - HB2 LYS 94 far 0 42 0 - 8.4-9.7 Violated in 13 structures by 0.33 A. Peak 8012 from cnoeabs.peaks (0.46, 1.94, 32.61 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 3 + HB2 MET 1 OK 100 100 100 100 3.0-6.2 8013/1.8=83, 8021/3.0=82...(20) QD1 LEU 55 - HB2 LYS 94 far 0 35 0 - 7.8-9.2 QD1 LEU 3 - HB2 LYS 94 far 0 44 0 - 8.1-9.8 Violated in 8 structures by 0.16 A. Peak 8013 from cnoeabs.peaks (0.46, 2.00, 32.61 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 3 + HB3 MET 1 OK 100 100 100 100 3.1-6.6 8012/1.8=78, 8021/3.0=78...(24) QD1 LEU 55 - HB3 LYS 94 far 0 30 0 - 7.7-9.7 QD1 LEU 3 - HB3 LYS 94 far 0 43 0 - 7.8-9.3 Violated in 11 structures by 0.43 A. Peak 8014 from cnoeabs.peaks (0.24, 2.00, 32.61 ppm; 6.16 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 3 + HB3 MET 1 OK 96 96 100 100 4.5-6.1 8022/3.0=98, 8011/1.8=97...(25) QD2 LEU 3 - HB3 LYS 94 far 0 38 0 - 8.2-9.9 Violated in 0 structures by 0.00 A. Peak 8015 from cnoeabs.peaks (1.31, 2.20, 30.51 ppm; 4.92 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 3 + HG2 MET 1 OK 94 99 95 100 2.4-6.7 2.1/8018=91, 8117=87...(25) HB3 LEU 2 + HG2 MET 1 OK 82 87 95 99 4.9-7.8 4.0/6006=56, 3.1/8054=48...(15) HB3 LEU 27 - HG2 MET 1 far 0 68 0 - 8.2-12.7 QB ALA 25 - HG2 MET 1 far 0 77 0 - 8.7-12.1 Violated in 1 structures by 0.07 A. Peak 8016 from cnoeabs.peaks (1.47, 2.20, 30.51 ppm; 4.70 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 53 + HG2 MET 1 OK 98 99 100 98 3.1-6.0 ~8027=35, 8019/1.8=34...(23) HG3 LYS 53 + HG2 MET 1 OK 88 100 90 98 4.0-6.6 ~8027=35, 8019/1.8=34...(20) HD2 LYS 53 - HG2 MET 1 poor 20 98 20 - 5.4-8.2 HG13 ILE 52 - HG2 MET 1 poor 19 96 20 - 5.5-8.7 HB2 LEU 27 - HG2 MET 1 far 0 96 0 - 9.8-14.2 Violated in 3 structures by 0.06 A. Peak 8017 from cnoeabs.peaks (0.45, 2.20, 30.51 ppm; 4.53 A): 1 out of 1 assignment used, quality = 0.99: QD1 LEU 3 + HG2 MET 1 OK 99 99 100 100 2.9-5.7 2.1/8018=83, 8021/1.8=81...(22) Violated in 3 structures by 0.07 A. Peak 8018 from cnoeabs.peaks (0.25, 2.20, 30.51 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.95: QD2 LEU 3 + HG2 MET 1 OK 95 100 95 100 3.1-6.9 8022/1.8=79, 8100=78...(22) Violated in 12 structures by 0.29 A. Peak 8019 from cnoeabs.peaks (1.47, 2.42, 30.51 ppm; 4.42 A): 3 out of 6 assignments used, quality = 1.00: HG3 LYS 53 + HG3 MET 1 OK 97 100 100 97 3.0-5.6 8016/1.8=34, ~8027=30...(25) HG2 LYS 53 + HG3 MET 1 OK 97 99 100 98 3.0-4.7 8016/1.8=37, ~8027=30...(31) HD2 LYS 53 + HG3 MET 1 OK 29 98 30 99 4.6-7.3 9192/8022=54...(27) HG13 ILE 52 - HG3 MET 1 poor 19 96 30 65 5.2-7.6 3.8/8035=36...(9) HB2 LEU 27 - HG3 MET 1 far 0 96 0 - 9.5-13.3 QB ALA 22 - HG3 MET 1 far 0 63 0 - 10.0-13.1 Violated in 1 structures by 0.00 A. Peak 8020 from cnoeabs.peaks (1.30, 2.42, 30.51 ppm; 5.26 A): 2 out of 2 assignments used, quality = 1.00: HG LEU 3 + HG3 MET 1 OK 100 100 100 100 2.4-5.6 2.1/8022=97, 2.1/8021=92...(26) HB3 LEU 2 + HG3 MET 1 OK 65 70 95 98 5.0-6.8 8015/1.8=40, ~8054=39...(16) Violated in 1 structures by 0.00 A. Peak 8021 from cnoeabs.peaks (0.45, 2.42, 30.51 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 3 + HG3 MET 1 OK 99 99 100 100 3.2-5.2 2.1/8022=83, 8017/1.8=74...(26) QD1 LEU 55 - HG3 MET 1 far 0 95 0 - 9.9-12.8 Violated in 14 structures by 0.28 A. Peak 8022 from cnoeabs.peaks (0.25, 2.42, 30.51 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.89: QD2 LEU 3 + HG3 MET 1 OK 89 99 90 100 2.8-6.2 8018/1.8=71, 8099=68...(28) Violated in 17 structures by 0.52 A. Peak 8023 from cnoeabs.peaks (1.47, 1.98, 16.19 ppm; 3.48 A): 3 out of 7 assignments used, quality = 1.00: HG2 LYS 53 + QE MET 1 OK 96 100 100 96 2.0-3.9 3.0/8027=43...(30) HG3 LYS 53 + QE MET 1 OK 94 100 100 94 2.3-4.8 3.0/8027=43...(24) HD2 LYS 53 + QE MET 1 OK 85 99 90 95 3.5-5.0 1.8/8027=54, 12114=37...(23) HG13 ILE 52 - QE MET 1 far 0 99 0 - 5.5-7.8 HB2 LEU 27 - QE MET 1 far 0 99 0 - 9.2-12.2 HG13 ILE 76 - QE MET 1 far 0 75 0 - 9.3-12.6 QB ALA 22 - QE MET 1 far 0 73 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 8024 from cnoeabs.peaks (1.30, 1.98, 16.19 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: HG LEU 3 + QE MET 1 OK 100 100 100 100 3.0-5.3 2.1/8026=100...(25) HB3 LEU 2 + QE MET 1 OK 62 79 80 99 5.8-7.4 8047/8033=46, 4.0/43=44...(13) QB ALA 25 - QE MET 1 far 0 68 0 - 7.6-10.6 Violated in 0 structures by 0.00 A. Peak 8025 from cnoeabs.peaks (0.45, 1.98, 16.19 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 3 + QE MET 1 OK 99 99 100 100 2.7-5.4 2.1/8026=84, 8021/3.3=60...(30) QD1 LEU 55 - QE MET 1 far 0 95 0 - 8.2-9.9 Violated in 12 structures by 0.42 A. Peak 8026 from cnoeabs.peaks (0.25, 1.98, 16.19 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 3 + QE MET 1 OK 98 99 100 100 2.2-4.6 8101=66, 2.1/8025=60...(29) Violated in 11 structures by 0.20 A. Peak 8027 from cnoeabs.peaks (1.53, 1.98, 16.19 ppm; 4.14 A): 1 out of 6 assignments used, quality = 0.85: HD3 LYS 53 + QE MET 1 OK 85 87 100 98 2.2-5.6 1.8/12114=58...(23) HB2 LEU 3 - QE MET 1 poor 17 85 20 - 5.1-7.6 HG LEU 2 - QE MET 1 far 0 98 0 - 5.6-7.5 HG3 ARG 79 - QE MET 1 far 0 100 0 - 7.8-12.2 HG2 ARG 79 - QE MET 1 far 0 100 0 - 7.8-11.5 HB3 LEU 103 - QE MET 1 far 0 100 0 - 7.9-13.3 Violated in 9 structures by 0.46 A. Peak 8028 from cnoeabs.peaks (0.79, 1.98, 16.19 ppm; 4.81 A): 2 out of 7 assignments used, quality = 0.94: QD2 LEU 2 + QE MET 1 OK 79 95 85 98 3.7-6.7 8058/3.3=33, 12305/37=32...(24) QG2 ILE 52 + QE MET 1 OK 72 98 75 99 4.9-6.5 3.2/8033=65, 4.0/8037=55...(19) QD2 LEU 103 - QE MET 1 far 3 68 5 - 6.1-11.7 QD1 LEU 27 - QE MET 1 far 0 88 0 - 6.7-9.2 QG1 VAL 54 - QE MET 1 far 0 77 0 - 7.9-9.4 QD2 LEU 42 - QE MET 1 far 0 85 0 - 9.0-11.9 QD1 ILE 76 - QE MET 1 far 0 99 0 - 9.0-11.0 Violated in 7 structures by 0.09 A. Peak 8029 from cnoeabs.peaks (2.82, 1.98, 16.19 ppm; 3.48 A): 2 out of 2 assignments used, quality = 0.99: HE2 LYS 53 + QE MET 1 OK 90 100 100 90 2.9-4.8 3.0/8027=43...(13) HE3 LYS 53 + QE MET 1 OK 90 99 100 90 1.9-4.7 3.0/8027=43...(14) Violated in 0 structures by 0.00 A. Peak 8030 from cnoeabs.peaks (2.95, 1.98, 16.19 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.99: HB2 ASN 51 + QE MET 1 OK 99 100 100 99 1.8-4.7 3.0/8032=63, 9131/37=41...(17) HB2 PHE 45 - QE MET 1 far 0 65 0 - 8.6-10.3 HB3 PHE 45 - QE MET 1 far 0 92 0 - 8.9-11.4 Violated in 1 structures by 0.02 A. Peak 8031 from cnoeabs.peaks (3.87, 1.98, 16.19 ppm; 5.11 A): 3 out of 6 assignments used, quality = 0.97: HA2 GLY 101 + QE MET 1 OK 71 100 95 75 2.3-7.8 1.8/10100=31...(13) HA2 GLY 100 + QE MET 1 OK 71 100 100 71 1.9-5.7 12051/8025=37...(12) HA3 GLY 101 + QE MET 1 OK 61 87 85 82 2.0-7.4 10100=29, 10108/8026=26...(13) HB2 SER 102 - QE MET 1 far 9 85 10 - 4.2-10.2 HB3 SER 49 - QE MET 1 far 0 98 0 - 6.6-11.7 HA LYS 94 - QE MET 1 far 0 100 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 8032 from cnoeabs.peaks (4.98, 1.98, 16.19 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.91: HA ASN 51 + QE MET 1 OK 91 100 95 96 2.9-5.6 3.0/8030=57...(14) Violated in 7 structures by 0.27 A. Peak 8033 from cnoeabs.peaks (5.33, 1.98, 16.19 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + QE MET 1 OK 100 100 100 100 3.6-5.4 3.0/8037=65, 8034/3.3=54...(25) Violated in 6 structures by 0.14 A. Peak 8034 from cnoeabs.peaks (5.33, 2.20, 30.51 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + HG2 MET 1 OK 100 100 100 100 2.9-5.8 8033/3.3=73, 9160=71...(21) Violated in 2 structures by 0.04 A. Peak 8035 from cnoeabs.peaks (5.34, 2.42, 30.51 ppm; 5.85 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + HG3 MET 1 OK 100 100 100 100 2.8-4.3 8034/1.8=93, 8033/3.3=84...(22) Violated in 0 structures by 0.00 A. Peak 8036 from cnoeabs.peaks (7.68, 1.98, 16.19 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: HD22 ASN 51 + QE MET 1 OK 100 100 100 100 2.4-6.5 3.5/8030=86, 4.4/8032=76...(18) H GLU 98 - QE MET 1 lone 1 82 25 6 6.4-10.7 7582/8031=5 Violated in 3 structures by 0.06 A. Peak 8037 from cnoeabs.peaks (7.49, 1.98, 16.19 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.85: H ILE 52 + QE MET 1 OK 85 100 85 100 4.4-6.5 6854/8032=76...(16) Violated in 8 structures by 0.44 A. Peak 8038 from cnoeabs.peaks (6.97, 1.98, 16.19 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.98: HD21 ASN 51 + QE MET 1 OK 94 99 95 100 3.5-7.6 3.5/8030=83, 1.7/8036=77...(14) QE PHE 96 + QE MET 1 OK 63 98 65 99 4.9-7.1 8072/8026=76...(13) Violated in 1 structures by 0.02 A. Peak 8039 from cnoeabs.peaks (6.45, 1.70, 43.59 ppm; 4.17 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HB2 LEU 2 OK 99 100 100 99 2.3-4.8 8153=45, 8040/1.8=39...(26) QD TYR 4 + HB2 LEU 2 OK 34 98 35 100 3.6-6.1 8040/1.8=38, 2.2/8153=35...(31) Violated in 11 structures by 0.14 A. Peak 8040 from cnoeabs.peaks (6.44, 1.33, 43.59 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HB3 LEU 2 OK 97 99 100 98 2.1-5.5 8039/1.8=53, 8042/3.1=33...(24) QD TYR 4 + HB3 LEU 2 OK 94 100 95 99 3.7-6.6 ~8039=35, 8042/3.1=28...(29) Violated in 1 structures by 0.06 A. Peak 8041 from cnoeabs.peaks (6.45, 0.81, 23.49 ppm; 4.10 A): 2 out of 3 assignments used, quality = 1.00: QE TYR 4 + QD2 LEU 2 OK 98 100 100 98 1.8-4.5 8039/3.1=43, 8042/2.1=41...(29) QD TYR 4 + QD2 LEU 2 OK 91 97 95 99 2.1-5.8 8042/2.1=35, 8040/3.1=28...(32) QD TYR 4 - QD2 LEU 103 far 0 52 0 - 8.8-12.9 Violated in 3 structures by 0.02 A. Peak 8042 from cnoeabs.peaks (6.44, 0.88, 24.80 ppm; 3.91 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + QD1 LEU 2 OK 98 100 100 98 1.9-4.3 8039/3.1=39, 8041/2.1=34...(25) QD TYR 4 + QD1 LEU 2 OK 83 99 85 99 3.8-5.6 8041/2.1=32, 2.2/8157=27...(30) Violated in 5 structures by 0.04 A. Peak 8045 from cnoeabs.peaks (5.32, 4.46, 54.47 ppm; 6.23 A): 1 out of 1 assignment used, quality = 0.97: HA ILE 52 + HA LEU 2 OK 97 97 100 100 4.1-5.2 8046/3.0=95, 8047/3.0=91...(24) Violated in 0 structures by 0.00 A. Peak 8046 from cnoeabs.peaks (5.33, 1.70, 43.59 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 52 + HB2 LEU 2 OK 99 99 100 100 1.8-4.9 8047/1.8=67, 12271=59...(38) Violated in 9 structures by 0.14 A. Peak 8047 from cnoeabs.peaks (5.33, 1.33, 43.59 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 52 + HB3 LEU 2 OK 99 99 100 100 3.6-5.3 8046/1.8=89, 8044/4.0=62...(36) Violated in 4 structures by 0.03 A. Peak 8048 from cnoeabs.peaks (5.40, 0.81, 23.49 ppm; 4.35 A): 0 out of 1 assignment used, quality = 0.00: HA LEU 57 - QD2 LEU 103 far 0 57 0 - 5.9-17.2 Violated in 20 structures by 4.77 A. Peak 8049 from cnoeabs.peaks (5.36, 0.88, 24.80 ppm; 5.07 A): 1 out of 3 assignments used, quality = 0.95: HA ILE 52 + QD1 LEU 2 OK 95 95 100 100 1.7-3.5 3.8/12039=82...(35) HA LEU 57 - QD1 LEU 103 far 5 31 15 - 5.6-16.5 HA THR 80 - QD1 LEU 103 lone 2 51 45 10 5.6-15.6 10356/74=4, 10356/74=3...(4) Violated in 0 structures by 0.00 A. Peak 8050 from cnoeabs.peaks (0.44, 4.46, 54.47 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.93: QD1 LEU 3 + HA LEU 2 OK 93 93 100 100 2.9-4.4 2.1/8084=69, 132/6018=69...(13) Violated in 0 structures by 0.00 A. Peak 8051 from cnoeabs.peaks (1.03, 1.70, 43.59 ppm; 4.42 A): 1 out of 1 assignment used, quality = 0.30: HG12 ILE 52 + HB2 LEU 2 OK 30 99 30 100 1.8-8.1 2.1/12275=71...(37) Violated in 14 structures by 2.11 A. Peak 8052 from cnoeabs.peaks (1.04, 1.33, 43.59 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.45: HG12 ILE 52 + HB3 LEU 2 OK 45 100 45 100 2.8-8.0 8051/1.8=91, ~12275=64...(37) Violated in 14 structures by 1.42 A. Peak 8053 from cnoeabs.peaks (2.01, 0.88, 24.80 ppm; 3.91 A): 4 out of 17 assignments used, quality = 0.97: HB2 GLN 50 + QD1 LEU 2 OK 77 98 80 98 3.2-7.5 10629=47, 1.8/12293=39...(23) HB3 GLU 48 + QD1 LEU 2 OK 57 65 90 96 2.8-5.6 1.8/9038=47...(23) HB3 MET 1 + QD1 LEU 2 OK 57 99 60 96 3.6-7.1 3.0/8054=34, ~8008=24...(22) QE MET 1 + QD1 LEU 2 OK 34 68 60 84 4.0-6.7 3.3/8054=31, 8028/2.1=15...(16) HB3 GLU 99 - QD1 LEU 103 poor 12 48 25 - 3.7-11.0 HB2 GLU 99 - QD1 LEU 103 poor 8 40 20 - 2.8-10.1 HG12 ILE 93 - QD1 LEU 103 far 0 48 0 - 5.7-14.3 QE MET 1 - QD1 LEU 103 far 0 36 0 - 5.9-11.7 HB2 GLU 98 - QD1 LEU 103 far 0 39 0 - 6.2-13.7 HB3 GLU 98 - QD1 LEU 103 far 0 40 0 - 6.3-14.8 HB3 GLU 44 - QD1 LEU 2 far 0 99 0 - 7.0-9.9 HB2 GLU 44 - QD1 LEU 2 far 0 99 0 - 7.1-10.5 HB3 LYS 94 - QD1 LEU 103 far 0 61 0 - 7.1-15.0 HB2 ARG 46 - QD1 LEU 2 far 0 63 0 - 8.1-9.8 HB2 MET 21 - QD1 LEU 103 far 0 31 0 - 8.9-16.7 QE MET 74 - QD1 LEU 103 far 0 62 0 - 9.0-19.4 HB3 MET 1 - QD1 LEU 103 far 0 63 0 - 9.4-15.7 Violated in 0 structures by 0.00 A. Peak 8054 from cnoeabs.peaks (2.21, 0.88, 24.80 ppm; 4.24 A): 2 out of 7 assignments used, quality = 0.96: HG2 MET 1 + QD1 LEU 2 OK 92 99 100 92 3.8-5.2 6006/4.7=36, 8058/2.1=30...(15) HB3 GLN 50 + QD1 LEU 2 OK 51 73 70 99 2.8-7.7 1.8/10629=58...(18) HG2 GLU 99 - QD1 LEU 103 poor 18 59 30 - 3.3-9.5 HB2 GLU 95 - QD1 LEU 103 lone 1 65 35 2 3.3-11.7 4.6/7662=1 HB3 GLN 72 - QD1 LEU 103 far 0 44 0 - 8.0-20.3 HG2 GLU 98 - QD1 LEU 103 far 0 63 0 - 8.2-15.6 HG2 MET 1 - QD1 LEU 103 far 0 63 0 - 9.6-15.0 Violated in 10 structures by 0.11 A. Peak 8055 from cnoeabs.peaks (2.32, 0.88, 24.80 ppm; 4.39 A): 2 out of 6 assignments used, quality = 0.96: HB2 GLU 48 + QD1 LEU 2 OK 83 84 100 99 3.2-5.2 9038=53, 3.0/10432=44...(28) HG2 GLU 48 + QD1 LEU 2 OK 78 99 80 98 2.8-6.2 1.8/10432=55...(24) HD3 ARG 81 - QD1 LEU 103 poor 12 58 75 27 2.7-13.1 9746/2.1=9, ~9747=5...(7) HB2 TYR 4 - QD1 LEU 2 far 7 71 10 - 5.9-7.8 HG3 GLU 69 - QD1 LEU 103 far 0 58 0 - 7.8-21.0 HG3 GLU 44 - QD1 LEU 2 far 0 79 0 - 8.0-11.6 Violated in 1 structures by 0.01 A. Peak 8056 from cnoeabs.peaks (2.43, 0.88, 24.80 ppm; 4.18 A): 4 out of 9 assignments used, quality = 1.00: HG3 GLU 48 + QD1 LEU 2 OK 99 100 100 99 1.9-5.3 10432=58, 3.0/9038=47...(27) HG3 MET 1 + QD1 LEU 2 OK 70 99 75 94 2.6-5.9 1.8/8054=48, ~8058=25...(19) HG2 GLN 50 + QD1 LEU 2 OK 54 84 65 98 3.7-7.3 2.9/10629=48...(21) HG3 GLN 50 + QD1 LEU 2 OK 39 100 40 99 4.6-8.5 2.9/10629=48...(19) HG3 GLU 99 - QD1 LEU 103 poor 15 61 25 - 3.5-10.8 HG2 GLN 72 - QD1 LEU 103 far 0 65 0 - 6.4-18.0 HB3 TYR 4 - QD1 LEU 2 far 0 73 0 - 6.5-8.7 HG3 MET 1 - QD1 LEU 103 far 0 63 0 - 9.2-14.6 HB3 MET 21 - QD1 LEU 103 far 0 46 0 - 9.6-16.9 Violated in 0 structures by 0.00 A. Peak 8057 from cnoeabs.peaks (2.02, 0.81, 23.49 ppm; 4.07 A): 3 out of 15 assignments used, quality = 0.94: HB3 GLU 48 + QD2 LEU 2 OK 62 85 75 96 2.7-7.3 ~9038=39, 3.0/10430=26...(25) HB3 MET 1 + QD2 LEU 2 OK 62 92 70 96 4.1-6.6 3.0/12305=29...(24) HB2 GLN 50 + QD2 LEU 2 OK 59 100 60 98 3.7-9.0 10629/2.1=51, ~12293=38...(22) HB3 GLU 99 - QD2 LEU 103 poor 16 52 30 - 2.3-9.5 HB2 GLU 98 - QD2 LEU 103 far 2 46 5 - 5.5-12.4 HB2 GLU 99 - QD2 LEU 103 lone 0 47 45 1 2.7-8.8 HG12 ILE 93 - QD2 LEU 103 far 0 52 0 - 5.6-14.5 HB3 GLU 98 - QD2 LEU 103 far 0 47 0 - 6.4-13.6 HB3 GLU 44 - QD2 LEU 2 far 0 90 0 - 6.9-11.0 HB3 LYS 94 - QD2 LEU 103 far 0 57 0 - 7.5-14.2 HB2 GLU 44 - QD2 LEU 2 far 0 90 0 - 7.7-11.7 HB2 MET 21 - QD2 LEU 103 far 0 40 0 - 8.7-15.7 HB3 MET 1 - QD2 LEU 103 far 0 48 0 - 8.9-15.8 QE MET 74 - QD2 LEU 103 far 0 47 0 - 9.0-18.7 QE MET 74 - QD2 LEU 2 far 0 91 0 - 9.6-13.3 Violated in 6 structures by 0.16 A. Peak 8058 from cnoeabs.peaks (2.19, 0.81, 23.49 ppm; 4.27 A): 2 out of 10 assignments used, quality = 0.90: HG2 MET 1 + QD2 LEU 2 OK 70 98 75 96 1.9-7.1 8054/2.1=39, 6006/4.7=36...(18) HB3 GLN 50 + QD2 LEU 2 OK 67 98 70 98 4.2-9.8 12293/2.1=49, ~10629=43...(17) HB2 GLU 95 - QD2 LEU 103 poor 20 49 40 - 3.0-10.6 HG2 GLU 99 - QD2 LEU 103 poor 14 32 45 - 2.0-9.3 HG2 GLU 104 - QD2 LEU 103 poor 5 27 20 - 4.0-8.1 HB3 GLU 95 - QD2 LEU 103 lone 1 40 60 4 1.9-10.1 4.6/7661=3 HB2 GLN 72 - QD2 LEU 103 far 0 45 0 - 7.9-18.9 HG2 GLU 98 - QD2 LEU 103 far 0 39 0 - 7.9-14.4 HG2 MET 1 - QD2 LEU 103 far 0 54 0 - 8.7-14.8 HG2 GLU 99 - QD2 LEU 2 far 0 68 0 - 9.4-15.9 Violated in 11 structures by 0.12 A. Peak 8060 from cnoeabs.peaks (7.04, 5.13, 53.57 ppm; 5.11 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + HA LEU 3 OK 99 99 100 100 4.3-6.2 2.2/8061=58, ~8068=51...(19) HZ PHE 96 + HA LEU 3 OK 87 87 100 100 3.1-5.6 2.2/8061=58, ~8068=51...(18) Violated in 0 structures by 0.00 A. Peak 8061 from cnoeabs.peaks (6.96, 5.13, 53.57 ppm; 6.00 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 96 + HA LEU 3 OK 100 100 100 100 2.6-4.8 8119/99=94, 8068/3.0=92...(24) HD21 ASN 51 - HA LEU 3 far 0 92 0 - 8.3-11.5 HE21 GLN 50 - HA LEU 3 far 0 59 0 - 9.7-14.7 Violated in 0 structures by 0.00 A. Peak 8062 from cnoeabs.peaks (6.44, 5.13, 53.57 ppm; 5.41 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 4 + HA LEU 3 OK 99 100 100 99 2.9-4.4 4.5/99=80, 8059/3.0=33...(27) QE TYR 4 + HA LEU 3 OK 97 99 100 98 4.3-5.2 8126/99=58, 8059/3.0=33...(20) Violated in 0 structures by 0.00 A. Peak 8064 from cnoeabs.peaks (8.47, 5.13, 53.57 ppm; 4.03 A): 2 out of 4 assignments used, quality = 1.00: H LYS 53 + HA LEU 3 OK 99 100 100 99 1.9-3.2 9178=57, 9182/97=51...(23) H VAL 54 + HA LEU 3 OK 83 90 100 93 4.6-5.5 11100/99=38, 4.7/9178=24...(19) H ARG 79 - HA LEU 3 far 0 75 0 - 8.2-8.9 H LEU 29 - HA LEU 3 far 0 95 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 8065 from cnoeabs.peaks (7.04, 1.55, 44.04 ppm; 5.07 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + HB2 LEU 3 OK 99 99 100 100 2.7-5.1 2.2/8066=81...(27) HZ PHE 96 + HB2 LEU 3 OK 74 87 85 100 4.3-6.9 2.2/8066=81, ~8068=65...(26) Violated in 0 structures by 0.00 A. Peak 8066 from cnoeabs.peaks (6.97, 1.55, 44.04 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 96 + HB2 LEU 3 OK 99 99 100 100 2.2-4.6 8068/1.8=85, 8072/3.1=76...(27) HD21 ASN 51 - HB2 LEU 3 far 0 99 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 8067 from cnoeabs.peaks (7.03, 1.15, 44.04 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + HB3 LEU 3 OK 100 100 100 100 2.3-5.3 2.2/8068=83...(22) HZ PHE 96 + HB3 LEU 3 OK 56 70 80 100 3.0-7.0 2.2/8068=83, ~8066=58...(20) Violated in 1 structures by 0.00 A. Peak 8068 from cnoeabs.peaks (6.96, 1.15, 44.04 ppm; 4.55 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 96 + HB3 LEU 3 OK 100 100 100 100 2.0-4.7 8066/1.8=72, 8072/3.1=70...(25) HD21 ASN 51 - HB3 LEU 3 far 0 96 0 - 9.5-13.3 Violated in 3 structures by 0.01 A. Peak 8069 from cnoeabs.peaks (7.04, 1.30, 27.70 ppm; 5.44 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + HG LEU 3 OK 98 98 100 100 4.7-5.9 2.2/8070=87, ~8072=74...(22) HZ PHE 96 + HG LEU 3 OK 92 92 100 100 4.7-6.5 2.2/8070=87, ~8072=74...(22) Violated in 0 structures by 0.00 A. Peak 8070 from cnoeabs.peaks (6.96, 1.30, 27.70 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 96 + HG LEU 3 OK 100 100 100 100 3.7-4.8 8072/2.1=91, 8074/2.1=79...(27) HD21 ASN 51 - HG LEU 3 far 0 92 0 - 7.4-10.6 HE21 GLN 50 - HG LEU 3 far 0 59 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 8071 from cnoeabs.peaks (7.04, 0.26, 24.15 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + QD2 LEU 3 OK 97 98 100 100 2.0-3.5 2.2/8072=68...(31) HZ PHE 96 + QD2 LEU 3 OK 93 93 100 100 2.5-3.9 2.2/8072=68, ~8074=36...(28) Violated in 0 structures by 0.00 A. Peak 8072 from cnoeabs.peaks (6.96, 0.26, 24.15 ppm; 4.07 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 96 + QD2 LEU 3 OK 100 100 100 100 1.9-2.8 8074/2.1=55, 8070/2.1=51...(34) HD21 ASN 51 - QD2 LEU 3 far 0 96 0 - 7.7-10.4 Violated in 0 structures by 0.00 A. Peak 8073 from cnoeabs.peaks (7.04, 0.46, 24.71 ppm; 4.87 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + QD1 LEU 3 OK 99 99 100 100 3.6-4.6 2.2/8074=77, ~8072=62...(34) HZ PHE 96 + QD1 LEU 3 OK 78 87 90 100 5.0-6.5 2.2/8074=77, ~8072=62...(32) Violated in 0 structures by 0.00 A. Peak 8074 from cnoeabs.peaks (6.96, 0.46, 24.71 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 96 + QD1 LEU 3 OK 100 100 100 100 4.1-4.7 8072/2.1=89, 8070/2.1=72...(36) HD21 ASN 51 - QD1 LEU 3 far 0 92 0 - 7.4-9.8 HE21 GLN 50 - QD1 LEU 3 far 0 59 0 - 8.8-13.6 Violated in 0 structures by 0.00 A. Peak 8075 from cnoeabs.peaks (8.15, 0.46, 24.71 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.97: H GLY 100 + QD1 LEU 3 OK 97 97 100 100 3.3-4.1 10085=95, 2.9/8094=82...(18) Violated in 0 structures by 0.00 A. Peak 8076 from cnoeabs.peaks (8.22, 0.46, 24.71 ppm; 5.44 A): 3 out of 3 assignments used, quality = 1.00: H SER 97 + QD1 LEU 3 OK 100 100 100 100 4.2-5.3 3.0/8093=96, 4.1/8092=69...(19) H PHE 96 + QD1 LEU 3 OK 93 100 95 98 5.9-7.0 6.5/8074=42...(14) H LEU 27 + QD1 LEU 3 OK 82 88 95 98 5.6-7.0 3.0/8086=66...(8) Violated in 0 structures by 0.00 A. Peak 8077 from cnoeabs.peaks (8.47, 0.46, 24.71 ppm; 5.42 A): 3 out of 5 assignments used, quality = 1.00: H LYS 53 + QD1 LEU 3 OK 100 100 100 100 4.7-6.0 9182/2.1=98, 9181=97...(22) H LEU 2 + QD1 LEU 3 OK 68 68 100 100 4.1-5.8 3.0/8050=73, 4.6/132=70...(20) H VAL 54 + QD1 LEU 3 OK 43 96 45 100 6.7-7.4 11100/5.0=53...(20) H LEU 29 - QD1 LEU 3 far 0 88 0 - 8.6-9.8 H ARG 79 - QD1 LEU 3 far 0 85 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 8078 from cnoeabs.peaks (8.47, 0.26, 24.15 ppm; 4.13 A): 3 out of 5 assignments used, quality = 1.00: H LYS 53 + QD2 LEU 3 OK 100 100 100 100 3.4-4.4 9182=98, 3.9/8114=58...(22) H VAL 54 + QD2 LEU 3 OK 95 96 100 99 4.3-5.1 6887/8115=55...(20) H LEU 2 + QD2 LEU 3 OK 43 68 65 99 5.1-6.1 4.6/6028=39, 3.0/8085=35...(21) H ARG 79 - QD2 LEU 3 far 0 85 0 - 6.7-7.8 H LEU 29 - QD2 LEU 3 far 0 88 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 8079 from cnoeabs.peaks (8.47, 1.30, 27.70 ppm; 5.37 A): 2 out of 3 assignments used, quality = 1.00: H LYS 53 + HG LEU 3 OK 100 100 100 100 3.3-4.9 9182/2.1=97, 9181/2.1=76...(25) H VAL 54 + HG LEU 3 OK 76 91 85 99 6.0-6.9 4.4/9187=57...(18) H ARG 79 - HG LEU 3 far 0 77 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8080 from cnoeabs.peaks (4.66, 1.55, 44.04 ppm; 5.37 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 27 + HB2 LEU 3 OK 100 100 100 100 3.5-5.4 1213/10132=93...(8) HA LEU 55 - HB2 LEU 3 far 0 96 0 - 7.4-9.7 Violated in 1 structures by 0.00 A. Peak 8081 from cnoeabs.peaks (4.46, 1.55, 44.04 ppm; 5.57 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 2 + HB2 LEU 3 OK 99 99 100 100 4.3-5.6 6018/4.0=92, 8050/3.1=81...(15) Violated in 6 structures by 0.01 A. Peak 8083 from cnoeabs.peaks (4.45, 1.15, 44.04 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.98: HA LEU 2 + HB3 LEU 3 OK 98 98 100 100 4.2-5.6 8081/1.8=97, 6018/4.0=97...(13) HA ALA 25 - HB3 LEU 3 far 0 63 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 8084 from cnoeabs.peaks (4.45, 1.30, 27.70 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.97: HA LEU 2 + HG LEU 3 OK 97 98 100 100 3.4-4.3 6018/116=80, 8050/2.1=77...(16) HA ALA 25 - HG LEU 3 far 0 63 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8085 from cnoeabs.peaks (4.46, 0.26, 24.15 ppm; 5.74 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 2 + QD2 LEU 3 OK 100 100 100 100 4.8-5.6 8050/2.1=95...(12) HA ILE 76 - QD2 LEU 3 far 0 63 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 8086 from cnoeabs.peaks (4.64, 0.46, 24.71 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 27 + QD1 LEU 3 OK 99 99 100 100 4.4-5.9 8080/3.1=72...(10) HA LEU 55 - QD1 LEU 3 far 0 84 0 - 8.0-9.1 Violated in 1 structures by 0.01 A. Peak 8087 from cnoeabs.peaks (4.47, 0.46, 24.71 ppm; 4.91 A): 2 out of 2 assignments used, quality = 0.99: HA LEU 2 + QD1 LEU 3 OK 98 98 100 100 2.9-4.4 8050=88, 6018/132=78...(13) HA PHE 96 + QD1 LEU 3 OK 58 63 100 91 4.9-6.3 5.6/8074=41...(8) Violated in 0 structures by 0.00 A. Peak 8089 from cnoeabs.peaks (3.93, 0.26, 24.15 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.95: HB2 SER 97 + QD2 LEU 3 OK 95 95 100 100 4.0-5.6 3.0/8090=74, 8092/2.1=74...(11) HB2 SER 102 - QD2 LEU 3 far 6 59 10 - 5.4-8.0 Violated in 9 structures by 0.22 A. Peak 8090 from cnoeabs.peaks (3.83, 0.26, 24.15 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.99: HA SER 97 + QD2 LEU 3 OK 99 99 100 100 2.1-3.6 8093/2.1=85, 10067=68...(15) HB3 SER 102 - QD2 LEU 3 far 5 96 5 - 5.2-8.7 HA ALA 22 - QD2 LEU 3 far 0 100 0 - 7.0-8.6 HB3 SER 49 - QD2 LEU 3 far 0 75 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 8091 from cnoeabs.peaks (3.72, 0.26, 24.15 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: HA3 GLY 100 + QD2 LEU 3 OK 100 100 100 100 1.9-4.4 10090=99, 10089/2.1=79...(13) HA LEU 42 - QD2 LEU 3 far 0 94 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8092 from cnoeabs.peaks (3.94, 0.46, 24.71 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: HB2 SER 97 + QD1 LEU 3 OK 100 100 100 100 3.2-4.7 3.0/8093=84, 10080=78...(13) Violated in 0 structures by 0.00 A. Peak 8093 from cnoeabs.peaks (3.83, 0.46, 24.71 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.99: HA SER 97 + QD1 LEU 3 OK 99 99 100 100 1.9-2.9 10066=98, 8090/2.1=54...(17) HA ALA 22 - QD1 LEU 3 far 0 100 0 - 6.4-7.6 HB3 SER 102 - QD1 LEU 3 far 0 96 0 - 6.9-9.9 HB3 SER 49 - QD1 LEU 3 far 0 75 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 8094 from cnoeabs.peaks (3.71, 0.46, 24.71 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: HA3 GLY 100 + QD1 LEU 3 OK 100 100 100 100 1.9-5.2 10089=99, 10090/2.1=74...(13) Violated in 1 structures by 0.02 A. Peak 8095 from cnoeabs.peaks (2.43, 0.46, 24.71 ppm; 4.81 A): 2 out of 6 assignments used, quality = 0.98: HG3 MET 1 + QD1 LEU 3 OK 97 97 100 100 3.2-5.2 8021=94, 8022/2.1=88...(26) HG3 GLU 99 + QD1 LEU 3 OK 25 100 30 83 4.6-7.8 4428/10084=49...(7) HB3 TYR 4 - QD1 LEU 3 far 0 84 0 - 7.5-7.9 HG3 MET 21 - QD1 LEU 3 far 0 73 0 - 8.1-12.3 HG3 GLU 48 - QD1 LEU 3 far 0 100 0 - 8.9-11.7 HG2 GLN 50 - QD1 LEU 3 far 0 73 0 - 9.1-13.3 Violated in 2 structures by 0.01 A. Peak 8096 from cnoeabs.peaks (2.20, 0.46, 24.71 ppm; 4.85 A): 2 out of 6 assignments used, quality = 1.00: HG2 MET 1 + QD1 LEU 3 OK 100 100 100 100 2.9-5.7 8017=98, 8018/2.1=90...(22) HG2 GLU 98 + QD1 LEU 3 OK 32 93 65 54 5.3-7.2 4.9/10084=41...(3) HG2 GLU 99 - QD1 LEU 3 poor 17 85 20 - 4.5-8.5 HB3 GLU 95 - QD1 LEU 3 far 0 61 0 - 7.9-9.5 HB2 GLU 95 - QD1 LEU 3 far 0 99 0 - 8.3-9.6 HB3 GLN 50 - QD1 LEU 3 far 0 90 0 - 9.4-12.7 Violated in 1 structures by 0.03 A. Peak 8097 from cnoeabs.peaks (1.97, 0.46, 24.71 ppm; 4.62 A): 3 out of 4 assignments used, quality = 1.00: QE MET 1 + QD1 LEU 3 OK 100 100 100 100 2.7-5.4 8025=98, 8026/2.1=88...(28) HB2 MET 1 + QD1 LEU 3 OK 73 77 95 100 3.0-6.2 3.0/8021=67, 1.8/8013=67...(20) HB3 MET 1 + QD1 LEU 3 OK 60 75 80 100 3.1-6.6 3.0/8021=67, 3.0/8017=65...(24) HB3 LYS 24 - QD1 LEU 3 far 0 99 0 - 9.5-10.8 Violated in 4 structures by 0.03 A. Peak 8098 from cnoeabs.peaks (2.82, 0.26, 24.15 ppm; 4.25 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 53 + QD2 LEU 3 OK 97 97 100 100 1.9-5.6 3.0/9192=61, 9198=46...(25) HE3 LYS 53 + QD2 LEU 3 OK 95 95 100 100 2.4-5.4 3.0/9192=61, 9198=49...(26) Violated in 6 structures by 0.04 A. Peak 8099 from cnoeabs.peaks (2.43, 0.26, 24.15 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.89: HG3 MET 1 + QD2 LEU 3 OK 89 99 90 100 2.8-6.2 8022=97, 1.8/8018=79...(28) HG3 GLU 99 - QD2 LEU 3 poor 16 99 30 54 3.5-7.9 4.7/10086=29...(5) HB3 TYR 4 - QD2 LEU 3 far 0 75 0 - 6.6-7.2 HG3 MET 21 - QD2 LEU 3 far 0 82 0 - 8.6-12.9 HG3 GLU 48 - QD2 LEU 3 far 0 100 0 - 9.0-10.8 HG2 GLN 50 - QD2 LEU 3 far 0 82 0 - 9.4-12.3 Violated in 7 structures by 0.36 A. Peak 8100 from cnoeabs.peaks (2.21, 0.26, 24.15 ppm; 4.20 A): 1 out of 5 assignments used, quality = 0.93: HG2 MET 1 + QD2 LEU 3 OK 93 98 95 100 3.1-6.9 8018=96, 1.8/8022=81...(22) HG2 GLU 99 - QD2 LEU 3 poor 13 99 30 44 3.9-7.7 4.7/10086=29...(3) HG2 GLU 98 - QD2 LEU 3 far 0 100 0 - 6.2-8.6 HB2 GLU 95 - QD2 LEU 3 far 0 100 0 - 7.7-9.1 HB3 GLN 50 - QD2 LEU 3 far 0 63 0 - 9.9-11.3 Violated in 9 structures by 0.24 A. Peak 8101 from cnoeabs.peaks (1.99, 0.26, 24.15 ppm; 4.06 A): 2 out of 4 assignments used, quality = 0.97: QE MET 1 + QD2 LEU 3 OK 96 96 100 100 2.2-4.6 8026=93, 8025/2.1=59...(29) HB3 MET 1 + QD2 LEU 3 OK 30 99 30 100 4.5-6.1 3.0/8022=60, 3.0/8018=59...(23) HB3 LYS 94 - QD2 LEU 3 far 0 75 0 - 8.2-9.9 HB2 GLN 50 - QD2 LEU 3 far 0 73 0 - 9.6-11.8 Violated in 10 structures by 0.06 A. Peak 8102 from cnoeabs.peaks (5.33, 0.26, 24.15 ppm; 5.36 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 52 + QD2 LEU 3 OK 100 100 100 100 4.8-5.7 9157=88, 6868/9182=86...(18) HA THR 80 - QD2 LEU 3 far 0 100 0 - 9.8-10.9 Violated in 4 structures by 0.04 A. Peak 8103 from cnoeabs.peaks (5.34, 0.46, 24.71 ppm; 6.07 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + QD1 LEU 3 OK 100 100 100 100 5.2-6.8 8102/2.1=90...(18) Violated in 7 structures by 0.11 A. Peak 8104 from cnoeabs.peaks (5.33, 1.30, 27.70 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 52 + HG LEU 3 OK 100 100 100 100 4.2-5.7 8102/2.1=93, 8103/2.1=80...(21) Violated in 0 structures by 0.00 A. Peak 8105 from cnoeabs.peaks (5.33, 5.13, 53.57 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.98: HA ILE 52 + HA LEU 3 OK 98 98 100 100 3.4-5.0 8102/97=84, 8104/3.7=73...(17) Violated in 0 structures by 0.00 A. Peak 8106 from cnoeabs.peaks (1.72, 5.13, 53.57 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.99: HB2 LEU 2 + HA LEU 3 OK 96 96 100 100 4.1-5.7 ~67=68, ~6018=61, ~51=61...(23) HB3 LYS 53 + HA LEU 3 OK 75 75 100 100 2.9-4.5 9189/3.9=54, 3.9/9178=47...(17) HB2 GLU 28 - HA LEU 3 poor 17 84 20 - 6.6-7.8 Violated in 0 structures by 0.00 A. Peak 8107 from cnoeabs.peaks (0.75, 5.13, 53.57 ppm; 5.55 A): 4 out of 13 assignments used, quality = 1.00: QD1 LEU 27 + HA LEU 3 OK 96 96 100 100 4.6-5.9 ~10132=74, ~10133=70...(18) QD2 LEU 27 + HA LEU 3 OK 87 87 100 100 3.7-4.3 10132/3.0=81...(16) QG1 VAL 54 + HA LEU 3 OK 86 99 100 87 5.4-6.2 8133/99=37, 4.0/8064=37...(11) QG2 ILE 52 + HA LEU 3 OK 81 85 100 95 4.4-6.2 3.2/8105=53, 4.3/9178=45...(13) QG2 ILE 93 - HA LEU 3 far 10 100 10 - 6.8-8.5 QG1 VAL 78 - HA LEU 3 far 0 99 0 - 7.2-7.9 QG1 VAL 5 - HA LEU 3 far 0 82 0 - 7.5-7.9 QD2 LEU 42 - HA LEU 3 far 0 98 0 - 7.8-9.9 QD1 LEU 6 - HA LEU 3 far 0 95 0 - 8.1-10.5 QG2 VAL 78 - HA LEU 3 far 0 73 0 - 8.7-9.4 QD1 ILE 93 - HA LEU 3 far 0 96 0 - 8.9-10.8 HG13 ILE 93 - HA LEU 3 far 0 99 0 - 9.5-11.3 HG13 ILE 56 - HA LEU 3 far 0 59 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 8108 from cnoeabs.peaks (0.73, 1.55, 44.04 ppm; 3.79 A): 1 out of 10 assignments used, quality = 1.00: QD2 LEU 27 + HB2 LEU 3 OK 100 100 100 100 1.8-2.8 10132=100, 10133/1.8=78...(24) QG2 ILE 93 - HB2 LEU 3 far 9 90 10 - 5.0-6.8 QG1 VAL 54 - HB2 LEU 3 far 0 71 0 - 6.2-7.5 QG1 VAL 5 - HB2 LEU 3 far 0 100 0 - 6.4-7.7 QD1 ILE 52 - HB2 LEU 3 far 0 70 0 - 6.7-9.0 HG13 ILE 93 - HB2 LEU 3 far 0 96 0 - 7.7-10.3 QD1 ILE 56 - HB2 LEU 3 far 0 91 0 - 8.0-10.9 QG1 VAL 78 - HB2 LEU 3 far 0 95 0 - 8.7-10.2 QD2 LEU 42 - HB2 LEU 3 far 0 61 0 - 8.8-11.6 QG2 VAL 78 - HB2 LEU 3 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 8109 from cnoeabs.peaks (0.74, 1.30, 27.70 ppm; 4.49 A): 2 out of 10 assignments used, quality = 0.99: QD2 LEU 27 + HG LEU 3 OK 97 97 100 100 3.8-4.1 10136/2.1=81...(19) QD1 LEU 27 + HG LEU 3 OK 81 85 95 100 4.6-6.0 ~10136=56, ~10132=51...(17) QG2 ILE 52 - HG LEU 3 far 3 68 5 - 5.6-7.1 QG2 ILE 93 - HG LEU 3 far 0 100 0 - 7.2-8.7 QG1 VAL 54 - HG LEU 3 far 0 94 0 - 7.4-8.0 QG1 VAL 5 - HG LEU 3 far 0 95 0 - 8.7-9.1 QG1 VAL 78 - HG LEU 3 far 0 100 0 - 8.9-9.7 QD1 ILE 56 - HG LEU 3 far 0 65 0 - 9.5-12.0 QD2 LEU 42 - HG LEU 3 far 0 88 0 - 9.7-11.9 QD1 ILE 93 - HG LEU 3 far 0 84 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 8110 from cnoeabs.peaks (0.74, 0.26, 24.15 ppm; 4.05 A): 2 out of 14 assignments used, quality = 1.00: QD2 LEU 27 + QD2 LEU 3 OK 99 99 100 100 3.0-4.1 10136=99, 10132/3.1=70...(23) QD1 LEU 27 + QD2 LEU 3 OK 77 77 100 100 3.7-4.8 2.1/10136=74, ~10132=39...(22) QG2 ILE 93 - QD2 LEU 3 poor 14 98 30 49 4.8-6.7 10031/8071=14...(7) QG1 VAL 54 - QD2 LEU 3 far 0 88 0 - 5.8-6.6 QG1 VAL 5 - QD2 LEU 3 far 0 98 0 - 6.1-7.0 QG1 VAL 78 - QD2 LEU 3 far 0 100 0 - 6.7-7.7 QD1 ILE 93 - QD2 LEU 3 far 0 75 0 - 7.1-8.8 QD1 ILE 56 - QD2 LEU 3 far 0 75 0 - 7.1-9.6 HG13 ILE 93 - QD2 LEU 3 far 0 100 0 - 7.4-9.2 QG2 VAL 78 - QD2 LEU 3 far 0 95 0 - 7.5-8.3 QD2 LEU 42 - QD2 LEU 3 far 0 81 0 - 7.5-9.7 QD1 LEU 6 - QD2 LEU 3 far 0 73 0 - 8.1-10.5 HG13 ILE 56 - QD2 LEU 3 far 0 87 0 - 8.4-10.9 HG3 ARG 81 - QD2 LEU 3 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 8111 from cnoeabs.peaks (0.73, 0.46, 24.71 ppm; 3.41 A): 2 out of 13 assignments used, quality = 1.00: QD2 LEU 27 + QD1 LEU 3 OK 99 100 100 100 2.0-2.6 10136/2.1=54...(25) QD1 LEU 27 + QD1 LEU 3 OK 66 68 100 98 2.8-4.2 ~10136=32, ~10132=26...(26) QG2 ILE 93 - QD1 LEU 3 far 0 95 0 - 5.1-6.4 QD1 ILE 52 - QD1 LEU 3 far 0 59 0 - 6.5-8.6 QG1 VAL 5 - QD1 LEU 3 far 0 100 0 - 7.0-7.7 QG1 VAL 54 - QD1 LEU 3 far 0 81 0 - 7.3-7.9 QD1 ILE 93 - QD1 LEU 3 far 0 65 0 - 7.6-8.9 HG13 ILE 93 - QD1 LEU 3 far 0 99 0 - 8.3-9.6 QG1 VAL 78 - QD1 LEU 3 far 0 98 0 - 8.8-9.4 QD1 ILE 56 - QD1 LEU 3 far 0 84 0 - 8.8-10.8 QD1 LEU 6 - QD1 LEU 3 far 0 63 0 - 8.9-11.2 QD2 LEU 42 - QD1 LEU 3 far 0 71 0 - 9.4-11.2 QG2 VAL 78 - QD1 LEU 3 far 0 98 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8112 from cnoeabs.peaks (1.47, 0.46, 24.71 ppm; 4.75 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + QD1 LEU 3 OK 100 100 100 100 4.3-5.7 ~8114=56, ~9186=52...(37) HG3 LYS 53 + QD1 LEU 3 OK 100 100 100 100 3.9-6.0 ~8114=56, ~9186=52...(37) HB2 LEU 27 + QD1 LEU 3 OK 89 99 90 100 5.4-6.5 3.1/10137=52...(17) HD2 LYS 53 + QD1 LEU 3 OK 30 100 30 100 5.6-7.0 9192/2.1=88, ~9193=54...(27) QB ALA 22 - QD1 LEU 3 poor 15 77 20 - 6.0-7.0 HG13 ILE 52 - QD1 LEU 3 far 15 99 15 - 5.8-9.6 Violated in 0 structures by 0.00 A. Peak 8113 from cnoeabs.peaks (1.47, 0.26, 24.15 ppm; 3.45 A): 3 out of 8 assignments used, quality = 1.00: HG2 LYS 53 + QD2 LEU 3 OK 100 100 100 100 2.4-3.9 3.0/8114=54, 3.0/8115=47...(33) HG3 LYS 53 + QD2 LEU 3 OK 100 100 100 100 1.8-3.4 3.0/8114=54, 3.0/8115=47...(33) HD2 LYS 53 + QD2 LEU 3 OK 99 100 100 99 3.2-4.6 9192=56, 3.6/8114=44...(25) HG13 ILE 52 - QD2 LEU 3 far 0 99 0 - 5.5-8.0 HB2 LEU 27 - QD2 LEU 3 far 0 99 0 - 5.8-7.5 QB ALA 22 - QD2 LEU 3 far 0 77 0 - 6.2-7.4 HG LEU 57 - QD2 LEU 3 far 0 65 0 - 9.8-10.9 HG LEU 29 - QD2 LEU 3 far 0 77 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 8114 from cnoeabs.peaks (1.68, 0.26, 24.15 ppm; 3.44 A): 1 out of 6 assignments used, quality = 0.99: HB3 LYS 53 + QD2 LEU 3 OK 99 100 100 100 2.3-3.0 1.8/8115=60, 9189=51...(22) HB3 ARG 79 - QD2 LEU 3 far 0 84 0 - 5.7-8.5 HB2 LEU 2 - QD2 LEU 3 far 0 91 0 - 5.7-7.0 HB ILE 52 - QD2 LEU 3 far 0 99 0 - 5.9-7.8 HB3 LEU 6 - QD2 LEU 3 far 0 73 0 - 9.4-10.5 HB ILE 76 - QD2 LEU 3 far 0 65 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 8115 from cnoeabs.peaks (1.83, 0.26, 24.15 ppm; 3.85 A): 1 out of 4 assignments used, quality = 1.00: HB2 LYS 53 + QD2 LEU 3 OK 100 100 100 100 1.8-2.1 9186=99, 1.8/8114=85...(28) HB VAL 5 - QD2 LEU 3 far 0 82 0 - 6.8-8.1 HB ILE 93 - QD2 LEU 3 far 0 75 0 - 7.7-9.4 HB2 GLU 104 - QD2 LEU 3 far 0 85 0 - 9.3-12.6 Violated in 0 structures by 0.00 A. Peak 8116 from cnoeabs.peaks (1.99, 1.30, 27.70 ppm; 5.11 A): 2 out of 3 assignments used, quality = 1.00: QE MET 1 + HG LEU 3 OK 98 98 100 100 3.0-5.3 8026/2.1=93, 8025/2.1=87...(24) HB3 MET 1 + HG LEU 3 OK 97 97 100 100 3.8-6.0 8013/2.1=73, 3.0/8117=67...(21) HB2 GLN 50 - HG LEU 3 far 0 68 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 8117 from cnoeabs.peaks (2.19, 1.30, 27.70 ppm; 5.12 A): 1 out of 4 assignments used, quality = 0.95: HG2 MET 1 + HG LEU 3 OK 95 100 95 100 2.4-6.7 8018/2.1=94, 8017/2.1=88...(25) HG2 GLU 99 - HG LEU 3 far 0 79 0 - 6.9-11.3 HG2 GLU 98 - HG LEU 3 far 0 88 0 - 8.8-11.1 HB3 GLN 50 - HG LEU 3 far 0 94 0 - 9.9-12.9 Violated in 1 structures by 0.08 A. Peak 8118 from cnoeabs.peaks (1.66, 1.30, 27.70 ppm; 4.60 A): 2 out of 3 assignments used, quality = 0.89: HB3 LYS 53 + HG LEU 3 OK 85 85 100 100 3.0-5.0 8114/2.1=79, ~9186=65...(22) HB ILE 52 + HG LEU 3 OK 23 99 25 92 5.8-8.2 3.0/8104=39, ~8102=35...(16) HB3 ARG 79 - HG LEU 3 far 0 100 0 - 8.9-12.0 Violated in 5 structures by 0.03 A. Peak 8123 from cnoeabs.peaks (7.81, 5.14, 56.58 ppm; 4.39 A): 2 out of 4 assignments used, quality = 0.99: H GLU 28 + HA TYR 4 OK 99 99 100 100 2.0-2.8 8655=90, 8163/146=54...(14) H LEU 3 + HA TYR 4 OK 60 65 100 92 4.7-4.8 6032/3.0=41, ~99=37...(12) HE ARG 30 - HA TYR 4 far 0 93 0 - 6.4-11.6 H ASN 26 - HA TYR 4 far 0 73 0 - 7.5-9.0 Violated in 0 structures by 0.00 A. Peak 8126 from cnoeabs.peaks (8.36, 6.45, 118.10 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: H TYR 4 + QE TYR 4 OK 100 100 100 100 4.9-5.3 6.5=73, 6042/2.2=53...(18) Violated in 0 structures by 0.00 A. Peak 8127 from cnoeabs.peaks (6.13, 2.46, 43.84 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 45 + HB3 TYR 4 OK 100 100 100 100 3.0-4.9 2.2/12077=75, 14695=64...(13) Violated in 0 structures by 0.00 A. Peak 8128 from cnoeabs.peaks (5.15, 6.45, 118.10 ppm; 5.27 A): 3 out of 3 assignments used, quality = 1.00: HA TYR 4 + QE TYR 4 OK 99 100 100 100 4.4-4.7 5.7=81, 3.0/8126=59...(16) HA VAL 54 + QE TYR 4 OK 96 97 100 99 5.6-6.5 10204/4.4=58...(17) HA LEU 3 + QE TYR 4 OK 92 93 100 99 4.3-5.2 3.6/8126=54, 8062=40...(20) Violated in 0 structures by 0.00 A. Peak 8129 from cnoeabs.peaks (2.45, 6.45, 118.10 ppm; 5.22 A): 2 out of 5 assignments used, quality = 1.00: HB3 TYR 4 + QE TYR 4 OK 99 99 100 100 4.4-4.5 4.4=100 HG3 GLU 48 + QE TYR 4 OK 81 87 100 93 3.5-5.8 3.0/8130=32, 5503/2.2=27...(16) HG3 MET 1 - QE TYR 4 poor 17 68 25 - 6.5-8.0 HG3 GLN 50 - QE TYR 4 far 0 90 0 - 8.3-12.3 HG3 GLU 23 - QE TYR 4 far 0 60 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 8130 from cnoeabs.peaks (2.29, 6.45, 118.10 ppm; 5.23 A): 2 out of 4 assignments used, quality = 1.00: HB2 TYR 4 + QE TYR 4 OK 100 100 100 100 4.4-4.5 4.4=100 HB2 GLU 48 + QE TYR 4 OK 90 98 95 96 3.8-6.9 10620/14588=34...(17) HB2 TYR 41 - QE TYR 4 far 0 83 0 - 8.1-10.0 HG2 GLU 23 - QE TYR 4 far 0 93 0 - 8.1-12.3 Violated in 0 structures by 0.00 A. Peak 8131 from cnoeabs.peaks (2.06, 6.45, 118.20 ppm; 5.27 A): 3 out of 6 assignments used, quality = 1.00: HG2 GLU 28 + QE TYR 4 OK 98 100 100 99 3.1-6.0 3.0/8653=43, 3.0/8652=41...(17) HG3 GLU 28 + QE TYR 4 OK 98 100 100 99 3.2-5.2 3.0/8653=43, 3.0/8652=41...(17) HB3 GLU 48 + QE TYR 4 OK 77 98 85 92 4.7-7.8 1.8/8130=38...(14) HB2 GLN 50 - QE TYR 4 far 0 67 0 - 7.1-11.2 HB3 GLU 43 - QE TYR 4 far 0 99 0 - 9.6-10.7 HB2 GLU 23 - QE TYR 4 far 0 80 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 8132 from cnoeabs.peaks (2.06, 6.43, 132.25 ppm; 6.24 A): 3 out of 8 assignments used, quality = 1.00: HG3 GLU 28 + QD TYR 4 OK 100 100 100 100 3.1-5.4 3.7/14579=64...(20) HG2 GLU 28 + QD TYR 4 OK 100 100 100 100 4.3-5.7 3.7/14579=64...(20) HB3 GLU 48 + QD TYR 4 OK 46 96 50 97 6.3-9.6 ~8130=37, 9041/9148=36...(14) HG12 ILE 93 - QD TYR 4 far 0 84 0 - 8.7-10.5 HB2 GLU 23 - QD TYR 4 far 0 88 0 - 9.3-11.1 QE MET 21 - QD TYR 4 far 0 68 0 - 9.5-11.3 HB2 MET 74 - QD TYR 4 far 0 100 0 - 9.7-12.6 HB3 GLU 43 - QD TYR 4 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8135 from cnoeabs.peaks (1.55, 5.14, 56.58 ppm; 4.16 A): 2 out of 11 assignments used, quality = 1.00: HB2 LEU 3 + HA TYR 4 OK 99 100 100 99 4.3-4.9 6034/3.0=47, ~6035=41...(21) HB3 GLU 28 + HA TYR 4 OK 95 96 100 99 4.4-5.4 8657=77, 1.8/8656=71...(10) HG3 ARG 30 - HA TYR 4 far 0 95 0 - 5.9-8.5 HG LEU 6 - HA TYR 4 far 0 90 0 - 6.0-8.6 HG LEU 2 - HA TYR 4 far 0 73 0 - 6.4-8.9 HG12 ILE 56 - HA TYR 4 far 0 96 0 - 8.1-10.3 HD3 LYS 53 - HA TYR 4 far 0 100 0 - 8.5-10.2 HG2 ARG 19 - HA TYR 4 far 0 61 0 - 8.9-12.4 HG2 ARG 79 - HA TYR 4 far 0 98 0 - 9.1-12.5 HG3 ARG 79 - HA TYR 4 far 0 98 0 - 9.1-12.7 HB ILE 7 - HA TYR 4 far 0 85 0 - 9.9-10.4 Violated in 9 structures by 0.04 A. Peak 8136 from cnoeabs.peaks (1.85, 5.14, 56.58 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.99: HB VAL 5 + HA TYR 4 OK 98 98 100 100 4.4-4.8 6053/146=88, 2.1/8140=88...(15) HB2 LYS 53 + HA TYR 4 OK 78 99 95 83 5.7-6.7 ~9209=45, ~8138=32...(9) HB VAL 54 - HA TYR 4 far 0 65 0 - 6.6-7.1 Violated in 0 structures by 0.00 A. Peak 8139 from cnoeabs.peaks (1.44, 5.14, 56.58 ppm; 5.11 A): 3 out of 8 assignments used, quality = 0.99: HB2 LEU 27 + HA TYR 4 OK 91 95 100 96 3.5-5.0 4.4/8655=59...(12) QB ALA 22 + HA TYR 4 OK 89 100 100 89 4.4-5.1 8578/8140=39...(14) HG13 ILE 52 + HA TYR 4 OK 40 95 50 84 5.8-9.9 9146/3.7=32, 9146/5.7=22...(13) HG LEU 29 - HA TYR 4 far 5 100 5 - 6.6-8.5 HG2 LYS 53 - HA TYR 4 far 0 88 0 - 7.7-8.9 HG3 LYS 53 - HA TYR 4 far 0 81 0 - 7.9-9.0 HD2 LYS 53 - HA TYR 4 far 0 93 0 - 8.7-9.9 QB ALA 71 - HA TYR 4 far 0 77 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 8140 from cnoeabs.peaks (0.95, 5.14, 56.58 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.97: QG2 VAL 5 + HA TYR 4 OK 97 100 100 97 3.1-3.5 6055/146=77...(16) HG LEU 55 - HA TYR 4 far 0 98 0 - 7.8-8.9 Violated in 0 structures by 0.00 A. Peak 8141 from cnoeabs.peaks (0.75, 5.14, 56.58 ppm; 4.56 A): 4 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + HA TYR 4 OK 97 98 100 100 4.0-4.8 9245/3.0=59, ~9239=47...(24) QD2 LEU 27 + HA TYR 4 OK 87 93 100 94 3.0-4.8 1219/8655=45...(14) QG1 VAL 5 + HA TYR 4 OK 87 90 100 97 5.4-5.4 2.1/8140=76, 4.0/146=71...(12) QD1 LEU 27 + HA TYR 4 OK 83 92 100 90 3.8-4.7 4.7/8655=45, 8133/3.0=28...(14) QG2 ILE 93 - HA TYR 4 poor 20 100 20 - 5.8-6.9 QD1 LEU 6 - HA TYR 4 far 4 90 5 - 5.2-7.6 QG2 ILE 52 - HA TYR 4 far 0 77 0 - 6.7-8.3 QD1 ILE 93 - HA TYR 4 far 0 91 0 - 6.8-8.2 HG13 ILE 93 - HA TYR 4 far 0 100 0 - 6.9-9.2 QD2 LEU 42 - HA TYR 4 far 0 94 0 - 7.0-8.6 QG1 VAL 78 - HA TYR 4 far 0 100 0 - 7.8-8.5 HG13 ILE 56 - HA TYR 4 far 0 70 0 - 8.1-10.6 QG2 VAL 78 - HA TYR 4 far 0 82 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 8142 from cnoeabs.peaks (0.65, 5.14, 56.58 ppm; 5.54 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 54 + HA TYR 4 OK 100 100 100 100 4.5-5.2 9239/3.0=94, 9238/3.0=89...(22) QD2 LEU 6 + HA TYR 4 OK 64 68 100 95 4.6-6.9 8209/3.7=48, 8148/3.0=33...(14) QD1 LEU 29 + HA TYR 4 OK 62 100 70 89 5.6-7.7 10500/8140=67...(7) QD2 LEU 29 - HA TYR 4 poor 19 99 35 55 5.4-7.8 8693/3.6=23...(4) QD1 ILE 7 - HA TYR 4 far 0 75 0 - 8.6-9.3 QD1 LEU 42 - HA TYR 4 far 0 63 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 8143 from cnoeabs.peaks (1.54, 2.29, 43.84 ppm; 5.52 A): 4 out of 9 assignments used, quality = 1.00: HG LEU 6 + HB2 TYR 4 OK 93 98 95 100 4.6-7.9 ~8209=72, ~8213=55...(25) HB2 LEU 3 + HB2 TYR 4 OK 93 96 100 97 5.4-6.6 6034/3.8=60, 8135/3.0=45...(13) HB3 GLU 28 + HB2 TYR 4 OK 84 84 100 100 5.7-6.9 8657/3.0=68, ~8656=66...(16) HG LEU 2 + HB2 TYR 4 OK 61 90 70 97 5.9-9.1 ~8041=34, ~8042=34...(18) HG12 ILE 56 - HB2 TYR 4 far 15 100 15 - 6.5-8.4 HG3 ARG 30 - HB2 TYR 4 far 15 100 15 - 6.6-9.2 HD3 LYS 53 - HB2 TYR 4 far 0 96 0 - 7.2-9.3 HG3 ARG 79 - HB2 TYR 4 far 0 100 0 - 7.4-11.6 HG2 ARG 79 - HB2 TYR 4 far 0 100 0 - 8.1-11.3 Violated in 0 structures by 0.00 A. Peak 8144 from cnoeabs.peaks (0.76, 2.29, 43.84 ppm; 4.07 A): 3 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + HB2 TYR 4 OK 100 100 100 100 1.8-2.9 2.1/9239=76, 9245/1.8=59...(29) QD1 LEU 6 + HB2 TYR 4 OK 48 98 50 97 4.7-7.0 ~8209=41, 8213/2.5=38...(22) QD2 LEU 42 + HB2 TYR 4 OK 28 99 75 38 4.8-6.5 2497/9239=14, 8147/1.8=8...(8) QD2 LEU 27 - HB2 TYR 4 poor 20 79 25 - 5.2-6.6 QG1 VAL 78 - HB2 TYR 4 poor 18 98 40 46 5.4-6.0 2497/9239=20, 9246=15...(5) QG2 ILE 52 - HB2 TYR 4 far 9 92 10 - 4.9-7.0 QD1 LEU 27 - HB2 TYR 4 far 0 99 0 - 5.7-6.7 QG1 VAL 5 - HB2 TYR 4 far 0 73 0 - 6.0-6.3 QG2 VAL 78 - HB2 TYR 4 far 0 63 0 - 6.6-8.0 QD2 LEU 57 - HB2 TYR 4 far 0 63 0 - 7.4-8.4 QG2 ILE 93 - HB2 TYR 4 far 0 99 0 - 7.5-8.7 QD1 ILE 93 - HB2 TYR 4 far 0 99 0 - 8.3-9.6 HG13 ILE 93 - HB2 TYR 4 far 0 96 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 8145 from cnoeabs.peaks (0.67, 2.29, 43.84 ppm; 4.05 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 54 + HB2 TYR 4 OK 98 98 100 100 1.9-2.6 9239=97, 9238/1.8=68...(30) QD2 LEU 6 + HB2 TYR 4 OK 85 92 95 98 4.0-5.6 8209/2.5=59, 8230=36...(21) QD1 ILE 52 + HB2 TYR 4 OK 67 81 90 92 3.8-5.7 9148/2.5=28, 9176=20...(21) QD2 LEU 29 - HB2 TYR 4 far 0 87 0 - 6.5-9.2 QD1 LEU 29 - HB2 TYR 4 far 0 98 0 - 6.6-8.8 QD1 LEU 42 - HB2 TYR 4 far 0 90 0 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 8146 from cnoeabs.peaks (1.53, 2.46, 43.84 ppm; 5.71 A): 5 out of 10 assignments used, quality = 1.00: HG LEU 6 + HB3 TYR 4 OK 100 100 100 100 4.3-6.6 ~8209=76, ~8213=59...(25) HB2 LEU 3 + HB3 TYR 4 OK 81 84 100 97 6.3-7.1 6034/3.8=55, 8135/3.0=39...(14) HG3 ARG 30 + HB3 TYR 4 OK 75 100 90 84 4.9-7.5 ~8702=36, ~8708=26...(10) HB3 GLU 28 + HB3 TYR 4 OK 65 65 100 100 4.0-5.3 ~8656=70, ~10366=63...(16) HG LEU 2 + HB3 TYR 4 OK 43 98 45 97 6.9-9.8 ~8041=36, ~8042=36...(16) HG12 ILE 56 - HB3 TYR 4 far 15 100 15 - 6.4-8.6 HG3 ARG 79 - HB3 TYR 4 far 0 99 0 - 8.7-12.6 HD3 LYS 53 - HB3 TYR 4 far 0 85 0 - 8.8-10.9 HG2 ARG 79 - HB3 TYR 4 far 0 100 0 - 9.2-12.3 HB ILE 7 - HB3 TYR 4 far 0 100 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 8147 from cnoeabs.peaks (0.75, 2.46, 43.84 ppm; 4.07 A): 3 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + HB3 TYR 4 OK 99 99 100 100 2.3-3.2 2.1/9238=64, 9245=63...(29) QD1 LEU 6 + HB3 TYR 4 OK 64 95 70 97 3.4-6.1 ~8209=41, 8213/2.5=36...(22) QD2 LEU 42 + HB3 TYR 4 OK 20 98 55 38 5.1-6.6 2497/9238=12...(7) QD2 LEU 27 - HB3 TYR 4 poor 17 87 20 - 5.2-6.8 QG1 VAL 5 - HB3 TYR 4 far 12 82 15 - 5.5-5.8 QD1 LEU 27 - HB3 TYR 4 far 0 96 0 - 5.6-6.5 QG2 ILE 52 - HB3 TYR 4 far 0 85 0 - 6.2-8.1 QG1 VAL 78 - HB3 TYR 4 far 0 99 0 - 6.4-7.2 HG13 ILE 56 - HB3 TYR 4 far 0 59 0 - 6.4-9.1 QG2 ILE 93 - HB3 TYR 4 far 0 100 0 - 7.3-8.3 QG2 VAL 78 - HB3 TYR 4 far 0 73 0 - 7.5-9.2 QD1 ILE 93 - HB3 TYR 4 far 0 96 0 - 7.8-8.9 HG13 ILE 93 - HB3 TYR 4 far 0 99 0 - 7.9-10.2 Violated in 0 structures by 0.00 A. Peak 8148 from cnoeabs.peaks (0.67, 2.46, 43.84 ppm; 4.14 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 54 + HB3 TYR 4 OK 98 98 100 100 3.0-4.0 9238=84, 9239/1.8=81...(28) QD2 LEU 6 + HB3 TYR 4 OK 90 92 100 98 3.1-4.9 8209/2.5=61, 8230/1.8=32...(24) QD1 ILE 52 + HB3 TYR 4 OK 41 81 55 93 4.7-6.8 9148/2.5=28, 8145/1.8=21...(22) QD2 LEU 29 - HB3 TYR 4 poor 17 87 20 - 5.5-8.1 QD1 LEU 29 - HB3 TYR 4 far 5 98 5 - 5.6-7.4 QD1 LEU 42 - HB3 TYR 4 far 0 90 0 - 7.7-9.0 Violated in 0 structures by 0.00 A. Peak 8149 from cnoeabs.peaks (1.71, 6.43, 132.25 ppm; 5.97 A): 4 out of 6 assignments used, quality = 1.00: HB2 LEU 2 + QD TYR 4 OK 100 100 100 100 3.6-6.1 8039/2.2=74, 1.8/8040=49...(31) HB3 LYS 53 + QD TYR 4 OK 79 91 100 88 5.2-6.0 9209/4.5=54...(11) HB ILE 52 + QD TYR 4 OK 65 65 100 100 2.9-5.8 ~8156=55, ~9143=50...(36) HB2 GLU 28 + QD TYR 4 OK 65 65 100 100 2.0-2.9 3.0/14579=64...(19) HD3 LYS 47 - QD TYR 4 far 0 85 0 - 8.7-12.6 HD2 LYS 47 - QD TYR 4 far 0 84 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 8150 from cnoeabs.peaks (1.53, 6.43, 132.25 ppm; 6.50 A): 6 out of 11 assignments used, quality = 1.00: HG LEU 6 + QD TYR 4 OK 100 100 100 100 5.8-7.3 2.1/8209=90, 2.1/8213=77...(22) HG LEU 2 + QD TYR 4 OK 98 98 100 100 3.6-6.4 ~8039=60, ~8042=50...(31) HG3 ARG 30 + QD TYR 4 OK 97 100 100 97 4.4-6.5 1.8/8702=53, ~8702=38...(16) HB2 LEU 3 + QD TYR 4 OK 83 84 100 99 4.9-6.0 6034/4.5=57, 3.0/8062=45...(19) HB3 GLU 28 + QD TYR 4 OK 65 65 100 100 2.6-3.8 3.0/14579=74...(20) HD3 LYS 53 + QD TYR 4 OK 45 85 80 66 6.9-8.3 3.6/14573=25...(7) HG12 ILE 56 - QD TYR 4 far 10 100 10 - 7.7-9.5 HG3 ARG 79 - QD TYR 4 far 0 99 0 - 8.1-12.1 HG2 ARG 79 - QD TYR 4 far 0 100 0 - 8.5-11.9 HG2 LYS 47 - QD TYR 4 far 0 65 0 - 8.8-12.4 HB ILE 7 - QD TYR 4 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 8151 from cnoeabs.peaks (0.77, 6.43, 132.25 ppm; 5.00 A): 7 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + QD TYR 4 OK 99 99 100 100 2.5-4.3 9245/2.5=77, ~9239=64...(29) QG2 ILE 52 + QD TYR 4 OK 99 99 100 100 3.8-5.0 9143/2.2=53, 9143=45...(39) QD1 LEU 6 + QD TYR 4 OK 85 100 85 100 3.8-6.8 2.1/8209=84, 8213=60...(20) QD1 LEU 27 + QD TYR 4 OK 75 100 100 75 5.4-6.4 8133/4.5=26...(14) QD2 LEU 2 + QD TYR 4 OK 59 59 100 100 2.1-5.8 2.1/8042=43, 3.1/8040=40...(32) QG1 VAL 78 + QD TYR 4 OK 35 87 95 43 5.5-6.7 9246/2.5=16...(5) QD2 LEU 42 + QD TYR 4 OK 33 100 80 41 4.9-7.0 8144/2.5=12, 223/8209=9...(10) QD1 ILE 76 - QD TYR 4 far 11 75 15 - 6.0-7.6 QG2 ILE 93 - QD TYR 4 far 0 93 0 - 7.4-8.3 QD2 LEU 57 - QD TYR 4 far 0 84 0 - 8.0-9.1 QD1 ILE 93 - QD TYR 4 far 0 100 0 - 8.2-9.2 HG13 ILE 93 - QD TYR 4 far 0 84 0 - 8.7-10.6 QG2 ILE 7 - QD TYR 4 far 0 79 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 8152 from cnoeabs.peaks (0.67, 6.43, 132.25 ppm; 5.11 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 6 + QD TYR 4 OK 96 96 100 100 4.0-5.3 8209=85, 2.1/8213=55...(23) QG2 VAL 54 + QD TYR 4 OK 95 95 100 100 1.8-3.3 9239/2.5=87, 9238/2.5=81...(36) QD1 ILE 52 + QD TYR 4 OK 88 88 100 100 2.4-4.1 ~8156=47, 2.1/9146=44...(35) QD1 LEU 29 + QD TYR 4 OK 25 94 50 53 6.3-7.9 8691/6050=21...(7) QD2 LEU 29 - QD TYR 4 poor 20 79 25 - 6.0-8.2 QD1 ILE 56 - QD TYR 4 poor 8 65 60 21 6.0-7.7 230/8213=12, 2600/6050=5...(4) QD1 LEU 42 - QD TYR 4 far 0 95 0 - 7.3-9.0 QD1 ILE 8 - QD TYR 4 far 0 61 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 8153 from cnoeabs.peaks (1.70, 6.45, 118.10 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 2 + QE TYR 4 OK 99 99 100 100 2.3-4.8 8039=74, 1.8/8040=43...(26) HB ILE 52 + QE TYR 4 OK 83 83 100 100 2.2-4.8 2.1/9143=49, 3.0/8156=41...(29) HB3 LYS 53 - QE TYR 4 far 0 98 0 - 6.2-7.7 HD3 LYS 47 - QE TYR 4 far 0 95 0 - 7.4-11.3 HD2 LYS 47 - QE TYR 4 far 0 95 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 8154 from cnoeabs.peaks (1.53, 6.45, 118.10 ppm; 4.98 A): 3 out of 8 assignments used, quality = 0.99: HG LEU 2 + QE TYR 4 OK 97 97 100 100 2.3-4.8 3.0/8039=60, 2.1/8042=51...(27) HB3 GLU 28 + QE TYR 4 OK 64 64 100 99 3.2-4.8 1.8/8652=44, ~8652=38...(20) HB2 LEU 3 + QE TYR 4 OK 35 83 45 93 6.0-6.9 4.4/8126=43, 3.0/8062=28...(15) HG3 ARG 30 - QE TYR 4 poor 20 100 20 - 6.0-7.9 HG2 LYS 47 - QE TYR 4 far 0 64 0 - 7.8-11.0 HG LEU 6 - QE TYR 4 far 0 100 0 - 7.8-9.1 HD3 LYS 53 - QE TYR 4 far 0 84 0 - 8.1-9.4 HG12 ILE 56 - QE TYR 4 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 8155 from cnoeabs.peaks (1.33, 6.45, 118.10 ppm; 4.87 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 2 + QE TYR 4 OK 99 99 100 100 2.1-5.5 1.8/8039=69, 8040=49...(24) HG2 ARG 30 + QE TYR 4 OK 33 68 60 81 5.7-7.2 8702=23, 8702/2.2=22...(15) HB3 LEU 27 + QE TYR 4 OK 32 95 65 51 5.9-6.6 6450/8649=24...(6) HG LEU 3 + QE TYR 4 OK 25 78 40 82 6.1-7.1 123/8126=26, 3.7/8062=25...(14) HB3 LEU 42 - QE TYR 4 far 0 84 0 - 7.5-9.6 QB ALA 25 - QE TYR 4 far 0 98 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 8156 from cnoeabs.peaks (1.02, 6.45, 118.10 ppm; 5.80 A): 1 out of 2 assignments used, quality = 0.94: HG12 ILE 52 + QE TYR 4 OK 94 94 100 100 2.3-6.1 8051/8039=57...(25) HB3 LEU 55 - QE TYR 4 far 0 100 0 - 8.9-10.2 Violated in 3 structures by 0.02 A. Peak 8157 from cnoeabs.peaks (0.89, 6.45, 118.10 ppm; 4.95 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 2 + QE TYR 4 OK 99 100 100 100 1.9-4.3 3.1/8039=58, 8042=54...(26) QG2 ILE 76 + QE TYR 4 OK 72 100 90 80 5.2-6.7 11070/9224=38...(12) QD1 LEU 38 - QE TYR 4 far 0 83 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 8158 from cnoeabs.peaks (0.78, 6.45, 118.10 ppm; 4.02 A): 3 out of 11 assignments used, quality = 1.00: QG2 ILE 52 + QE TYR 4 OK 99 100 100 99 2.1-4.4 9143=52, 9143/2.2=39...(31) QD2 LEU 2 + QE TYR 4 OK 77 78 100 99 1.8-4.5 3.1/8039=41, 2.1/8042=40...(28) QG1 VAL 54 + QE TYR 4 OK 65 93 75 94 4.5-5.8 2.1/9224=37, 9245/4.4=33...(20) QD1 LEU 6 - QE TYR 4 far 5 99 5 - 5.4-8.3 QD2 LEU 42 - QE TYR 4 far 0 97 0 - 6.3-8.1 QD1 ILE 76 - QE TYR 4 far 0 90 0 - 6.3-8.1 QG1 VAL 78 - QE TYR 4 far 0 68 0 - 6.6-7.9 QD1 LEU 27 - QE TYR 4 far 0 98 0 - 6.7-7.6 QG2 ILE 93 - QE TYR 4 far 0 78 0 - 8.8-9.7 QD2 LEU 57 - QE TYR 4 far 0 95 0 - 9.8-10.9 QD1 ILE 93 - QE TYR 4 far 0 98 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 8159 from cnoeabs.peaks (0.68, 6.45, 118.10 ppm; 4.42 A): 3 out of 9 assignments used, quality = 1.00: QD1 ILE 52 + QE TYR 4 OK 97 97 100 100 2.0-3.9 9148=48, 2.1/8156=44...(32) QG2 VAL 54 + QE TYR 4 OK 80 81 100 99 3.5-4.7 9239/4.4=40, 9224=38...(22) QD2 LEU 6 + QE TYR 4 OK 33 99 35 96 5.8-6.7 8209/2.2=80, ~8213=37...(16) QD1 ILE 56 - QE TYR 4 far 0 83 0 - 7.6-9.4 QD2 LEU 29 - QE TYR 4 far 0 58 0 - 7.6-9.7 QD1 LEU 29 - QE TYR 4 far 0 80 0 - 8.0-9.4 QD1 LEU 42 - QE TYR 4 far 0 99 0 - 8.4-10.0 QG2 VAL 78 - QE TYR 4 far 0 56 0 - 8.5-9.7 HG13 ILE 56 - QE TYR 4 far 0 70 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 8164 from cnoeabs.peaks (8.63, 5.11, 59.85 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.99: H LEU 55 + HA VAL 5 OK 99 99 100 100 1.9-2.6 9295=94, 9294/6059=52...(25) Violated in 0 structures by 0.00 A. Peak 8165 from cnoeabs.peaks (9.10, 1.86, 33.82 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: H ARG 30 + HB VAL 5 OK 100 100 100 100 3.7-4.4 8715=99, 6476/8173=84...(15) Violated in 0 structures by 0.00 A. Peak 8166 from cnoeabs.peaks (9.09, 0.73, 20.80 ppm; 6.09 A): 1 out of 3 assignments used, quality = 1.00: H ARG 30 + QG1 VAL 5 OK 100 100 100 100 3.8-4.2 8715/2.1=100...(16) H VAL 83 - QG1 VAL 5 far 0 94 0 - 8.2-9.5 H ARG 30 - QG2 VAL 78 far 0 76 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 8167 from cnoeabs.peaks (9.22, 0.73, 20.80 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.89: H ILE 56 + QG1 VAL 5 OK 78 79 100 99 4.0-5.1 11107/178=52...(17) H ILE 56 + QG2 VAL 78 OK 50 53 100 94 4.1-5.2 9697/4.3=53, 9300/3.2=31...(15) Violated in 0 structures by 0.00 A. Peak 8168 from cnoeabs.peaks (7.79, 0.95, 22.19 ppm; 5.25 A): 1 out of 5 assignments used, quality = 0.99: H GLU 28 + QG2 VAL 5 OK 99 99 100 100 2.9-4.2 6450/8634=69...(11) HE ARG 30 - QG2 VAL 5 far 0 100 0 - 7.2-10.2 H GLU 99 - QG2 VAL 5 far 0 100 0 - 7.4-8.8 H LYS 20 - QG2 VAL 5 far 0 100 0 - 7.7-8.7 H VAL 78 - QG2 VAL 5 far 0 70 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 8169 from cnoeabs.peaks (7.04, 0.95, 22.19 ppm; 3.74 A): 2 out of 3 assignments used, quality = 0.99: QD PHE 96 + QG2 VAL 5 OK 96 100 100 96 2.0-3.5 2.2/8170=65...(24) HZ PHE 96 + QG2 VAL 5 OK 60 79 85 89 3.4-5.5 2.2/8170=65...(17) HZ3 TRP 92 - QG2 VAL 5 far 0 77 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 8170 from cnoeabs.peaks (6.95, 0.95, 22.19 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.95: QE PHE 96 + QG2 VAL 5 OK 95 99 100 96 2.0-4.1 2.2/8169=44, 2.2/8169=27...(22) Violated in 6 structures by 0.04 A. Peak 8171 from cnoeabs.peaks (7.03, 0.73, 20.80 ppm; 5.66 A): 2 out of 6 assignments used, quality = 1.00: QD PHE 96 + QG1 VAL 5 OK 100 100 100 100 3.6-5.3 ~8170=81, 8169/2.1=62...(22) HZ PHE 96 + QG1 VAL 5 OK 69 70 100 99 5.4-7.1 ~8170=81, 8169/2.1=38...(17) QD PHE 96 - QG2 VAL 78 poor 19 76 25 - 7.0-8.0 HZ PHE 96 - QG2 VAL 78 poor 19 45 100 42 5.6-6.8 ~10330=15, 9292/12107=8...(7) HZ3 TRP 92 - QG1 VAL 5 far 0 68 0 - 7.4-8.8 HZ3 TRP 92 - QG2 VAL 78 far 0 44 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 8173 from cnoeabs.peaks (5.66, 1.86, 33.82 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 29 + HB VAL 5 OK 100 100 100 100 1.9-2.7 8668=91, 8174/2.1=56...(24) Violated in 0 structures by 0.00 A. Peak 8174 from cnoeabs.peaks (5.67, 0.73, 20.80 ppm; 4.48 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 29 + QG1 VAL 5 OK 100 100 100 100 3.3-3.7 8173/2.1=86, 8175/2.1=66...(21) HA LEU 29 - QG2 VAL 78 far 0 74 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 8175 from cnoeabs.peaks (5.66, 0.95, 22.19 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 29 + QG2 VAL 5 OK 100 100 100 100 3.4-4.2 8666=90, 8173/2.1=89...(20) Violated in 0 structures by 0.00 A. Peak 8176 from cnoeabs.peaks (3.54, 0.95, 22.19 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 93 + QG2 VAL 5 OK 99 100 100 100 2.7-3.9 3.2/10322=79, 10008=65...(21) Violated in 0 structures by 0.00 A. Peak 8177 from cnoeabs.peaks (3.10, 0.95, 22.19 ppm; 5.78 A): 2 out of 8 assignments used, quality = 1.00: HB2 PHE 96 + QG2 VAL 5 OK 100 100 100 100 3.1-4.1 4.4/8170=82...(20) HB2 TRP 92 + QG2 VAL 5 OK 92 100 100 92 5.8-7.2 9987/2549=35...(15) HD2 ARG 79 - QG2 VAL 5 poor 15 73 35 60 5.4-10.1 10912/8170=28...(8) HD3 ARG 79 - QG2 VAL 5 poor 14 77 35 54 4.9-10.2 10912/8170=26...(6) HB3 ASN 26 - QG2 VAL 5 far 10 63 15 - 7.0-8.1 HD3 ARG 30 - QG2 VAL 5 far 0 92 0 - 8.1-9.7 HB3 HIS 105 - QG2 VAL 5 far 0 59 0 - 9.4-18.6 HB2 HIS 105 - QG2 VAL 5 far 0 91 0 - 9.4-18.4 Violated in 0 structures by 0.00 A. Peak 8178 from cnoeabs.peaks (5.46, 0.73, 20.80 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 6 + QG1 VAL 5 OK 100 100 100 100 3.4-3.8 2.9/178=92, ~6059=52...(22) HA LEU 6 - QG2 VAL 78 far 0 76 0 - 7.9-9.5 Violated in 0 structures by 0.00 A. Peak 8179 from cnoeabs.peaks (5.35, 0.73, 20.80 ppm; 5.54 A): 2 out of 3 assignments used, quality = 0.81: HA THR 80 + QG2 VAL 78 OK 61 70 100 87 4.0-4.8 ~10288=51, 2.9/9715=23...(10) HA THR 80 + QG1 VAL 5 OK 51 97 75 69 6.4-7.2 9701/8167=36...(7) HA ILE 52 - QG2 VAL 78 far 0 74 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 8180 from cnoeabs.peaks (4.68, 0.73, 20.80 ppm; 4.90 A): 3 out of 7 assignments used, quality = 1.00: HA LEU 55 + QG1 VAL 5 OK 99 99 100 100 4.2-5.3 4.0/8195=74, 3.0/8196=60...(27) HA LEU 55 + QG2 VAL 78 OK 64 73 100 88 4.2-5.3 11118/4.3=59...(13) HA ARG 79 + QG2 VAL 78 OK 48 48 100 98 2.9-3.1 ~7284=46, ~7285=37...(22) HA LEU 27 - QG1 VAL 5 far 0 81 0 - 6.8-7.6 HA LYS 82 - QG1 VAL 5 far 0 91 0 - 8.1-9.6 HA ARG 79 - QG1 VAL 5 far 0 73 0 - 8.3-9.3 HA LYS 82 - QG2 VAL 78 far 0 63 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 8181 from cnoeabs.peaks (4.56, 0.73, 20.80 ppm; 4.84 A): 1 out of 3 assignments used, quality = 0.71: HA ASP 77 + QG2 VAL 78 OK 71 72 100 100 4.3-4.8 7274/4.0=82, 9682/2.1=70...(12) HA HIS 105 - QG2 VAL 78 far 0 42 0 - 7.7-15.0 HA PHE 45 - QG2 VAL 78 far 0 41 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 8182 from cnoeabs.peaks (3.81, 0.73, 20.80 ppm; 4.17 A): 4 out of 9 assignments used, quality = 0.99: HA ALA 22 + QG1 VAL 5 OK 89 99 100 90 4.6-5.5 ~8578=42, 8576/2.1=36...(15) HA LYS 68 + QG2 VAL 78 OK 59 73 100 81 2.7-4.1 8509=21, 9687/2.1=19...(18) HA ALA 71 + QG2 VAL 78 OK 51 51 100 99 3.5-4.1 ~9685=51, ~10290=37...(22) HA ARG 19 + QG1 VAL 5 OK 49 100 100 49 4.5-5.7 1007/10192=13...(9) HA ALA 67 - QG2 VAL 78 poor 9 40 60 37 5.0-6.3 2.1/10194=12...(6) HA SER 97 - QG1 VAL 5 far 0 100 0 - 6.8-7.8 HB3 SER 102 - QG2 VAL 78 far 0 75 0 - 7.2-14.6 HB3 SER 102 - QG1 VAL 5 far 0 100 0 - 9.2-15.9 HA LYS 68 - QG1 VAL 5 far 0 99 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 8189 from cnoeabs.peaks (1.02, 5.11, 59.85 ppm; 4.14 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 55 + HA VAL 5 OK 100 100 100 100 2.0-4.6 6908/9295=62, 9249=62...(32) HB3 ARG 81 - HA VAL 5 far 0 71 0 - 7.3-9.1 HG12 ILE 52 - HA VAL 5 far 0 95 0 - 8.2-11.5 QG1 VAL 83 - HA VAL 5 far 0 97 0 - 8.8-9.6 Violated in 5 structures by 0.05 A. Peak 8191 from cnoeabs.peaks (1.15, 1.86, 33.82 ppm; 4.36 A): 1 out of 4 assignments used, quality = 0.98: HB2 LEU 29 + HB VAL 5 OK 98 99 100 100 2.3-4.3 2.9/8173=72, 3.1/8671=48...(29) HB3 LEU 3 - HB VAL 5 far 0 100 0 - 6.4-8.1 HB2 LEU 6 - HB VAL 5 far 0 75 0 - 6.5-7.0 QG2 THR 31 - HB VAL 5 far 0 99 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 8192 from cnoeabs.peaks (0.65, 1.86, 33.82 ppm; 3.74 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + HB VAL 5 OK 100 100 100 100 1.9-4.7 8674=55, 2.1/8671=46...(26) QD1 LEU 29 + HB VAL 5 OK 99 100 100 100 2.0-4.6 8671=65, 10500/2.1=58...(28) QD1 ILE 7 - HB VAL 5 poor 12 84 25 58 4.9-5.6 10272/2.1=17, ~10196=9...(12) QG2 VAL 54 - HB VAL 5 far 0 99 0 - 6.9-7.7 QD1 LEU 14 - HB VAL 5 far 0 75 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 8193 from cnoeabs.peaks (0.64, 5.11, 59.85 ppm; 4.33 A): 3 out of 6 assignments used, quality = 0.98: QG2 VAL 54 + HA VAL 5 OK 92 97 100 95 4.9-5.7 4.1/9295=58...(13) QD1 LEU 29 + HA VAL 5 OK 68 98 70 99 3.5-6.4 10500/3.2=58...(32) QD2 LEU 29 + HA VAL 5 OK 30 100 30 99 3.5-6.3 8674/3.0=44, ~10500=36...(29) QD1 ILE 7 - HA VAL 5 far 14 92 15 - 5.8-6.3 QD1 LEU 14 - HA VAL 5 far 0 63 0 - 9.5-10.2 QG2 VAL 58 - HA VAL 5 far 0 68 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8194 from cnoeabs.peaks (1.17, 0.73, 20.80 ppm; 4.10 A): 3 out of 8 assignments used, quality = 1.00: HB2 LEU 29 + QG1 VAL 5 OK 97 97 100 100 2.9-4.6 2.9/8174=54, 8191/2.1=46...(28) HB2 LEU 6 + QG1 VAL 5 OK 97 100 100 97 4.7-5.2 6064/178=55, 3.0/8178=43...(23) HB2 LEU 57 + QG1 VAL 5 OK 72 90 100 81 4.8-5.6 3.9/173=23, 1.8/175=19...(18) QG2 THR 31 - QG1 VAL 5 far 0 71 0 - 5.6-6.2 HB3 LEU 3 - QG1 VAL 5 far 0 87 0 - 6.2-8.0 HB2 LEU 6 - QG2 VAL 78 far 0 75 0 - 6.4-8.2 HB3 LEU 3 - QG2 VAL 78 far 0 59 0 - 8.9-11.2 HB2 LEU 57 - QG2 VAL 78 far 0 62 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 8195 from cnoeabs.peaks (0.49, 0.73, 20.80 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.95: QD2 LEU 55 + QG1 VAL 5 OK 95 96 100 99 1.7-2.3 2.1/177=35, 2549/2.1=34...(36) QD2 LEU 55 - QG2 VAL 78 far 0 68 0 - 6.8-7.6 QD1 LEU 3 - QG1 VAL 5 far 0 79 0 - 7.0-7.7 QD1 LEU 3 - QG2 VAL 78 far 0 53 0 - 9.6-10.1 Violated in 0 structures by 0.00 A. Peak 8196 from cnoeabs.peaks (-0.63, 0.73, 20.80 ppm; 5.24 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 55 + QG1 VAL 5 OK 100 100 100 100 2.1-4.8 8198/2.1=94, 3.1/8195=92...(27) HB2 LEU 55 - QG2 VAL 78 poor 19 76 25 - 6.1-7.4 Violated in 0 structures by 0.00 A. Peak 8197 from cnoeabs.peaks (0.45, 0.95, 22.19 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.97: QD1 LEU 55 + QG2 VAL 5 OK 96 96 100 100 3.9-4.7 3.1/8198=46, ~8195=43...(30) QD1 LEU 3 + QG2 VAL 5 OK 29 98 45 65 5.0-5.6 8074/8170=32...(9) HG2 ARG 81 - QG2 VAL 5 far 0 88 0 - 7.6-10.1 Violated in 20 structures by 0.32 A. Peak 8198 from cnoeabs.peaks (-0.64, 0.95, 22.19 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: HB2 LEU 55 + QG2 VAL 5 OK 100 100 100 100 1.9-3.9 3.1/8197=53, 8196/2.1=50...(29) Violated in 0 structures by 0.00 A. Peak 8200 from cnoeabs.peaks (9.09, 5.47, 52.09 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: H ARG 30 + HA LEU 6 OK 100 100 100 100 1.9-2.5 8698=100, 8238/6072=60...(21) Violated in 0 structures by 0.00 A. Peak 8201 from cnoeabs.peaks (8.93, 5.47, 52.09 ppm; 6.07 A): 2 out of 3 assignments used, quality = 1.00: H LEU 57 + HA LEU 6 OK 100 100 100 100 4.6-5.1 9333/2.9=96...(22) H VAL 5 + HA LEU 6 OK 98 98 100 100 4.6-5.0 10505/8698=87, ~6059=76...(22) H ARG 19 - HA LEU 6 far 0 77 0 - 7.9-8.7 Violated in 0 structures by 0.00 A. Peak 8202 from cnoeabs.peaks (8.93, 1.18, 44.10 ppm; 5.87 A): 2 out of 3 assignments used, quality = 1.00: H LEU 57 + HB2 LEU 6 OK 100 100 100 100 3.6-4.6 9333/4.0=83, 8237/4.3=65...(25) H VAL 5 + HB2 LEU 6 OK 98 98 100 100 6.3-6.8 4.7/6064=79, 8203/1.8=45...(20) H ARG 19 - HB2 LEU 6 far 0 77 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 8203 from cnoeabs.peaks (8.93, 1.65, 44.10 ppm; 5.45 A): 2 out of 2 assignments used, quality = 1.00: H LEU 57 + HB3 LEU 6 OK 100 100 100 100 3.2-4.6 2576/10672=87...(20) H VAL 5 + HB3 LEU 6 OK 97 98 100 99 5.2-6.3 4.7/6065=75, 3.0/8222=39...(19) Violated in 0 structures by 0.00 A. Peak 8204 from cnoeabs.peaks (8.92, 0.69, 24.21 ppm; 5.43 A): 4 out of 6 assignments used, quality = 1.00: H VAL 5 + QD2 LEU 6 OK 100 100 100 100 2.9-5.4 8162/10232=70...(27) H LEU 57 + QD2 LEU 6 OK 96 100 100 97 5.3-5.8 9333/4.6=67, 6937/3.1=44...(12) H LEU 57 + QD2 LEU 14 OK 56 72 100 78 5.5-6.5 3.9/219=24...(13) H ARG 19 + QD2 LEU 14 OK 40 56 100 72 5.5-6.3 6277/12020=31...(9) H ARG 19 - QD2 LEU 6 far 0 87 0 - 8.2-10.3 H ASP 77 - QD2 LEU 6 far 0 68 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 8205 from cnoeabs.peaks (6.51, 1.52, 27.00 ppm; 4.90 A): 1 out of 4 assignments used, quality = 1.00: QE PHE 45 + HG LEU 6 OK 100 100 100 100 2.6-4.7 8212/2.1=93, 8208/2.1=92...(21) QE PHE 45 - HG LEU 2 far 9 87 10 - 5.7-9.6 QE PHE 45 - HG3 ARG 79 far 0 81 0 - 8.6-13.2 QE PHE 45 - HG2 ARG 79 far 0 82 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 8207 from cnoeabs.peaks (6.83, 0.69, 24.21 ppm; 3.80 A): 2 out of 5 assignments used, quality = 1.00: QD TYR 41 + QD2 LEU 6 OK 99 100 100 99 1.9-3.5 2.2/8911=35, 8210/2.1=34...(27) QE TYR 41 + QD2 LEU 6 OK 81 87 100 93 3.6-4.9 8911=32, 8210/2.1=25...(21) QE TYR 41 - QD2 LEU 14 far 0 56 0 - 9.3-10.2 HD1 TRP 92 - QD2 LEU 14 far 0 36 0 - 9.4-10.1 QD TYR 41 - QD2 LEU 14 far 0 72 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 8208 from cnoeabs.peaks (6.51, 0.69, 24.21 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 45 + QD2 LEU 6 OK 100 100 100 100 2.1-3.6 8212/2.1=73, 2.2/8215=72...(22) Violated in 0 structures by 0.00 A. Peak 8209 from cnoeabs.peaks (6.45, 0.69, 24.21 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.84: QD TYR 4 + QD2 LEU 6 OK 84 93 100 90 4.0-5.3 2.5/8230=31, 14577=27...(21) QE TYR 4 - QD2 LEU 6 far 0 100 0 - 5.8-6.7 Violated in 19 structures by 0.36 A. Peak 8210 from cnoeabs.peaks (6.83, 0.77, 25.58 ppm; 4.22 A): 2 out of 4 assignments used, quality = 1.00: QD TYR 41 + QD1 LEU 6 OK 99 100 100 99 1.8-3.3 2.5/8227=45, 8207/2.1=45...(26) QE TYR 41 + QD1 LEU 6 OK 73 79 100 92 3.3-4.9 8207/2.1=37, 4.4/8227=30...(19) QD TYR 41 - QD2 LEU 57 far 0 68 0 - 8.1-9.2 QE TYR 41 - QD2 LEU 57 far 0 46 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 8211 from cnoeabs.peaks (6.66, 0.77, 25.58 ppm; 4.90 A): 1 out of 2 assignments used, quality = 1.00: QD PHE 45 + QD1 LEU 6 OK 100 100 100 100 4.1-6.0 2.2/8212=93, ~8208=64...(12) QD PHE 45 - QD2 LEU 57 far 0 68 0 - 8.3-10.1 Violated in 11 structures by 0.28 A. Peak 8212 from cnoeabs.peaks (6.51, 0.77, 25.58 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.99: QE PHE 45 + QD1 LEU 6 OK 99 100 100 99 2.3-4.2 8208/2.1=67, 2.2/8214=53...(20) QE PHE 45 - QD2 LEU 57 far 0 67 0 - 7.3-8.9 Violated in 3 structures by 0.03 A. Peak 8213 from cnoeabs.peaks (6.41, 0.77, 25.58 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.83: QD TYR 4 + QD1 LEU 6 OK 83 85 100 97 3.8-6.8 ~8230=35, 2.5/8147=31...(20) QE TYR 4 - QD1 LEU 6 far 3 63 5 - 5.4-8.3 QD TYR 4 - QD2 LEU 57 far 0 51 0 - 8.0-9.1 QE TYR 4 - QD2 LEU 57 far 0 36 0 - 9.8-10.9 Violated in 19 structures by 0.62 A. Peak 8214 from cnoeabs.peaks (6.14, 0.77, 25.58 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: HZ PHE 45 + QD1 LEU 6 OK 100 100 100 100 2.9-5.1 2.2/8212=88, 8215/2.1=86...(20) HZ PHE 45 - QD2 LEU 57 far 0 67 0 - 8.2-10.3 Violated in 4 structures by 0.06 A. Peak 8215 from cnoeabs.peaks (6.13, 0.69, 24.21 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.99: HZ PHE 45 + QD2 LEU 6 OK 99 100 100 99 2.0-4.1 2.2/8208=66, 8214/2.1=52...(20) Violated in 1 structures by 0.01 A. Peak 8218 from cnoeabs.peaks (5.12, 5.47, 52.09 ppm; 4.80 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 7 + HA LEU 6 OK 98 99 100 100 4.4-4.6 3.0/6072=96, 3.0/8256=64...(26) HA VAL 5 + HA LEU 6 OK 97 97 100 100 4.4-4.5 6059/2.9=92, 3.2/8178=58...(28) HA VAL 54 - HA LEU 6 far 0 59 0 - 6.8-7.9 HA TYR 4 - HA LEU 6 far 0 88 0 - 7.1-7.3 Violated in 0 structures by 0.00 A. Peak 8219 from cnoeabs.peaks (4.89, 5.47, 52.09 ppm; 4.54 A): 3 out of 3 assignments used, quality = 1.00: HA ILE 56 + HA LEU 6 OK 98 99 100 100 4.1-4.6 8216/2.9=78, 3.2/9308=46...(20) HA THR 31 + HA LEU 6 OK 95 100 100 95 4.1-4.7 8251/6072=41...(12) HA ARG 30 + HA LEU 6 OK 90 92 100 98 4.4-4.7 3.0/8698=77, 3.0/8699=45...(13) Violated in 0 structures by 0.00 A. Peak 8220 from cnoeabs.peaks (5.13, 1.18, 44.10 ppm; 4.54 A): 2 out of 4 assignments used, quality = 1.00: HA ILE 7 + HB2 LEU 6 OK 100 100 100 100 3.9-4.5 3.0/6073=50, ~6074=49...(32) HA VAL 5 + HB2 LEU 6 OK 92 93 100 99 5.4-5.6 6059/6064=70...(28) HA VAL 54 - HB2 LEU 6 far 0 70 0 - 7.3-8.4 HA TYR 4 - HB2 LEU 6 far 0 94 0 - 8.4-9.0 Violated in 0 structures by 0.00 A. Peak 8221 from cnoeabs.peaks (4.88, 1.18, 44.10 ppm; 4.67 A): 3 out of 3 assignments used, quality = 1.00: HA ILE 56 + HB2 LEU 6 OK 100 100 100 100 2.7-4.0 8216/6064=67...(21) HA THR 31 + HB2 LEU 6 OK 91 99 100 92 3.9-5.1 8251/4.3=31, 8223/1.8=26...(16) HA ARG 30 + HB2 LEU 6 OK 42 77 55 99 5.6-6.8 ~8698=40, ~8200=37...(24) Violated in 0 structures by 0.00 A. Peak 8222 from cnoeabs.peaks (5.11, 1.65, 44.10 ppm; 5.24 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 5 + HB3 LEU 6 OK 100 100 100 100 4.0-4.7 6059/6065=93...(28) HA ILE 7 + HB3 LEU 6 OK 90 90 100 100 4.3-5.4 3.0/6074=86, ~6072=58...(33) HA TYR 4 - HB3 LEU 6 far 0 70 0 - 7.3-8.4 HA LEU 3 - HB3 LEU 6 far 0 93 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 8223 from cnoeabs.peaks (4.88, 1.65, 44.10 ppm; 4.52 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 56 + HB3 LEU 6 OK 100 100 100 100 1.9-3.1 3.2/10672=73...(20) HA THR 31 + HB3 LEU 6 OK 47 99 55 86 5.4-6.6 8251/6074=31...(12) HA ARG 30 - HB3 LEU 6 far 0 77 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 8224 from cnoeabs.peaks (5.13, 1.52, 27.00 ppm; 4.95 A): 4 out of 18 assignments used, quality = 0.99: HA VAL 5 + HG LEU 6 OK 93 93 100 100 3.5-6.3 6059/209=74, 8220/3.0=35...(31) HA LEU 3 + HG LEU 2 OK 60 86 70 99 3.6-6.6 ~83=55, ~6022=53...(20) HA VAL 54 + HG LEU 6 OK 58 70 90 92 4.4-8.0 3.2/10209=43...(16) HA TYR 4 + HG LEU 6 OK 38 94 45 90 6.0-8.6 ~8230=26, ~8148=21...(16) HA ILE 7 - HG LEU 6 poor 20 100 20 - 5.5-7.0 HA VAL 54 - HG2 ARG 79 far 8 50 15 - 5.8-9.0 HA VAL 54 - HG3 ARG 79 far 5 49 10 - 5.2-9.4 HA TYR 4 - HG LEU 2 far 4 77 5 - 6.4-8.9 HA VAL 5 - HG2 ARG 79 far 4 72 5 - 5.9-9.5 HA VAL 5 - HG3 ARG 79 far 4 71 5 - 6.4-9.5 HA VAL 54 - HG LEU 2 far 0 54 0 - 6.9-10.0 HA LEU 3 - HG3 ARG 79 far 0 81 0 - 7.8-12.0 HA LEU 3 - HG2 ARG 79 far 0 82 0 - 7.9-12.0 HA LEU 3 - HG LEU 6 far 0 100 0 - 8.6-11.9 HA TYR 4 - HG2 ARG 79 far 0 73 0 - 9.1-12.5 HA TYR 4 - HG3 ARG 79 far 0 72 0 - 9.1-12.7 HA VAL 5 - HG LEU 2 far 0 76 0 - 9.8-12.9 HA ILE 7 - HG2 ARG 79 far 0 81 0 - 9.8-12.9 Violated in 1 structures by 0.00 A. Peak 8226 from cnoeabs.peaks (5.13, 0.77, 25.58 ppm; 5.34 A): 5 out of 11 assignments used, quality = 1.00: HA ILE 7 + QD1 LEU 6 OK 100 100 100 100 4.8-5.8 3.0/6077=53, ~6074=49...(20) HA VAL 5 + QD1 LEU 6 OK 86 87 100 99 3.9-5.9 6059/4.6=71, 8220/3.1=38...(26) HA ILE 7 + QD2 LEU 57 OK 68 68 100 100 2.8-4.4 8272/3.1=88, 9345/3.1=76...(26) HA VAL 54 + QD1 LEU 6 OK 51 79 70 93 5.0-7.9 ~10209=32, ~10207=24...(15) HA VAL 5 + QD2 LEU 57 OK 49 53 100 94 3.7-4.9 10687/2.1=29, 3.6/225=27...(23) HA TYR 4 - QD1 LEU 6 far 15 98 15 - 5.2-7.6 HA VAL 54 - QD2 LEU 57 lone 2 46 50 9 6.0-7.1 9259/10213=7 HA TYR 4 - QD2 LEU 57 far 0 63 0 - 7.2-8.6 HA LEU 3 - QD1 LEU 6 far 0 100 0 - 8.1-10.5 HA LEU 3 - QD2 LEU 57 far 0 68 0 - 8.8-9.8 HA SER 85 - QD2 LEU 57 far 0 67 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 8227 from cnoeabs.peaks (2.63, 0.77, 25.58 ppm; 4.46 A): 2 out of 9 assignments used, quality = 1.00: HB3 TYR 41 + QD1 LEU 6 OK 100 100 100 100 2.0-3.5 1.8/8228=48, 2.5/8210=43...(27) HD2 ARG 30 + QD1 LEU 6 OK 40 61 70 93 3.9-6.7 8722/2.1=36, 3.0/8721=29...(17) HG3 MET 74 - QD1 LEU 6 far 0 98 0 - 6.3-10.0 HB VAL 58 - QD2 LEU 57 far 0 36 0 - 7.0-7.4 HB VAL 58 - QD1 LEU 6 far 0 63 0 - 7.9-10.0 HB3 ASP 77 - QD1 LEU 6 far 0 100 0 - 8.8-13.2 HB3 TYR 41 - QD2 LEU 57 far 0 68 0 - 8.9-10.2 HD3 ARG 91 - QD2 LEU 57 far 0 49 0 - 9.5-10.6 HD2 ARG 30 - QD2 LEU 57 far 0 35 0 - 9.5-11.9 Violated in 0 structures by 0.00 A. Peak 8228 from cnoeabs.peaks (2.31, 0.77, 25.58 ppm; 4.21 A): 3 out of 13 assignments used, quality = 1.00: HB2 TYR 41 + QD1 LEU 6 OK 99 100 100 100 1.9-4.0 1.8/8227=50...(22) HB2 TYR 4 + QD1 LEU 6 OK 51 95 55 98 4.7-7.0 ~8209=44, 2.5/8213=43...(22) HD3 ARG 81 + QD2 LEU 57 OK 22 68 40 79 4.7-8.1 9746/2.1=28, ~10211=20...(12) HG2 GLU 95 - QD2 LEU 57 far 0 36 0 - 5.9-10.4 HB2 TYR 4 - QD2 LEU 57 far 0 60 0 - 7.4-8.4 HG3 GLU 43 - QD1 LEU 6 far 0 97 0 - 7.4-9.6 HG2 GLU 23 - QD1 LEU 6 far 0 61 0 - 8.2-14.2 HB2 TYR 41 - QD2 LEU 57 far 0 67 0 - 9.3-10.1 HG2 GLU 23 - QD2 LEU 57 far 0 35 0 - 9.3-11.9 HG2 GLU 63 - QD2 LEU 57 far 0 63 0 - 9.4-10.7 HD3 ARG 81 - QD1 LEU 6 far 0 100 0 - 9.4-12.6 HG2 GLU 63 - QD1 LEU 6 far 0 98 0 - 9.6-12.4 HG2 GLU 48 - QD1 LEU 6 far 0 85 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 8229 from cnoeabs.peaks (2.65, 0.69, 24.21 ppm; 4.49 A): 2 out of 4 assignments used, quality = 1.00: HB3 TYR 41 + QD2 LEU 6 OK 98 98 100 100 2.0-3.3 8227/2.1=49, 8877=46...(27) HD2 ARG 30 + QD2 LEU 6 OK 84 88 95 100 3.7-6.3 8722=78, 3.6/8717=42...(18) HG3 MET 74 - QD2 LEU 6 far 0 82 0 - 8.1-10.2 HB3 ASP 77 - QD2 LEU 6 far 0 96 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 8230 from cnoeabs.peaks (2.29, 0.69, 24.21 ppm; 4.43 A): 2 out of 9 assignments used, quality = 1.00: HB2 TYR 4 + QD2 LEU 6 OK 99 100 100 99 4.0-5.6 2.5/8209=76, ~8213=35...(22) HB2 TYR 41 + QD2 LEU 6 OK 90 91 100 100 2.5-4.3 2.5/8207=45, 8228/2.1=42...(20) HG3 GLU 16 - QD2 LEU 14 far 0 72 0 - 6.1-7.4 HG2 GLU 37 - QD2 LEU 6 far 0 68 0 - 7.1-10.2 HG2 GLU 23 - QD2 LEU 6 far 0 88 0 - 7.6-11.7 HG3 GLU 43 - QD2 LEU 6 far 0 79 0 - 8.0-9.5 HG2 GLU 63 - QD2 LEU 14 far 0 72 0 - 8.4-9.5 HB2 GLU 48 - QD2 LEU 6 far 0 100 0 - 9.8-12.7 HD3 ARG 81 - QD2 LEU 14 far 0 66 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 8231 from cnoeabs.peaks (2.30, 1.52, 27.00 ppm; 5.95 A): 7 out of 12 assignments used, quality = 1.00: HB2 TYR 41 + HG LEU 6 OK 96 96 100 100 3.6-5.8 ~8227=60, 8887/8205=58...(24) HB2 TYR 4 + HG LEU 6 OK 95 100 95 100 4.6-7.9 ~8209=80, ~8213=63...(25) HB2 GLU 48 + HG LEU 2 OK 87 87 100 100 4.6-7.1 9038/2.1=95, ~10432=52...(22) HD3 ARG 81 + HG3 ARG 79 OK 61 78 95 83 2.9-7.6 9253/9251=24, ~9694=22...(14) HB2 TYR 4 + HG LEU 2 OK 59 85 70 98 5.9-9.1 ~8041=38, ~8042=37...(18) HD3 ARG 81 + HG2 ARG 79 OK 55 79 85 82 4.1-7.9 9253/9251=24, ~9694=22...(14) HG2 GLU 48 + HG LEU 2 OK 39 52 75 100 3.9-8.3 ~9038=63, ~10432=63...(18) HB2 TYR 4 - HG3 ARG 79 far 4 80 5 - 7.4-11.6 HB2 TYR 4 - HG2 ARG 79 far 0 81 0 - 8.1-11.3 HG2 GLU 95 - HG3 ARG 79 far 0 60 0 - 8.7-12.6 HG2 GLU 95 - HG2 ARG 79 far 0 61 0 - 8.8-13.0 HG3 GLU 43 - HG LEU 6 far 0 87 0 - 9.3-11.8 Violated in 0 structures by 0.00 A. Peak 8234 from cnoeabs.peaks (1.39, 5.47, 52.09 ppm; 4.79 A): 3 out of 5 assignments used, quality = 0.99: HB3 ARG 30 + HA LEU 6 OK 94 95 100 99 3.0-4.5 6484/8698=68...(16) HG12 ILE 8 + HA LEU 6 OK 69 85 100 81 5.5-6.2 10335/10154=22...(12) HG12 ILE 7 + HA LEU 6 OK 57 63 90 99 6.0-6.8 4.5/6072=73, 3.2/8256=62...(18) QB ALA 71 - HA LEU 6 far 0 88 0 - 8.9-10.2 HG LEU 14 - HA LEU 6 far 0 61 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 8235 from cnoeabs.peaks (0.60, 1.18, 44.10 ppm; 4.36 A): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 56 + HB2 LEU 6 OK 100 100 100 100 2.1-4.1 10672/1.8=90, 9326=54...(33) QD1 ILE 7 + HB2 LEU 6 OK 75 87 90 96 5.4-6.3 4.7/6073=32, ~8256=29...(19) Violated in 0 structures by 0.00 A. Peak 8236 from cnoeabs.peaks (0.60, 1.65, 44.10 ppm; 4.22 A): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 56 + HB3 LEU 6 OK 100 100 100 100 1.9-3.4 10672=100, 9311/6065=46...(33) QD1 ILE 7 + HB3 LEU 6 OK 46 87 55 96 5.2-6.7 4.7/6074=42, 8235/1.8=31...(20) Violated in 0 structures by 0.00 A. Peak 8239 from cnoeabs.peaks (8.93, 5.13, 58.46 ppm; 3.93 A): 1 out of 3 assignments used, quality = 1.00: H LEU 57 + HA ILE 7 OK 100 100 100 100 2.1-2.7 9332=100, 8292/6087=54...(24) H ARG 19 - HA ILE 7 far 0 79 0 - 8.0-8.6 H VAL 5 - HA ILE 7 far 0 99 0 - 8.3-8.9 Violated in 0 structures by 0.00 A. Peak 8242 from cnoeabs.peaks (8.92, 1.52, 41.02 ppm; 5.53 A): 2 out of 5 assignments used, quality = 1.00: H LEU 57 + HB ILE 7 OK 100 100 100 100 4.5-4.9 9332/3.0=96, 8246/2.9=79...(23) H ARG 19 + HB ILE 7 OK 81 87 100 93 5.5-6.1 8245/2.1=42...(12) H VAL 5 - HB ILE 7 far 0 100 0 - 7.6-8.1 H ARG 19 - HB2 LEU 14 far 0 74 0 - 7.7-8.5 H LEU 57 - HB2 LEU 14 far 0 90 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8244 from cnoeabs.peaks (8.66, 0.80, 16.81 ppm; 5.37 A): 3 out of 4 assignments used, quality = 1.00: H ALA 18 + QG2 ILE 7 OK 100 100 100 100 5.0-6.0 2.9/8283=75...(26) H ASP 11 + QG2 ILE 7 OK 91 96 100 95 5.3-5.8 10388/8265=70...(13) H ASN 10 + QG2 ILE 7 OK 91 95 100 96 5.8-6.2 4.6/8265=69, 4.6/8267=66...(9) H LEU 55 - QG2 ILE 7 far 0 90 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 8245 from cnoeabs.peaks (8.92, 0.80, 16.81 ppm; 4.72 A): 2 out of 3 assignments used, quality = 1.00: H LEU 57 + QG2 ILE 7 OK 100 100 100 100 4.8-5.3 9332/3.0=83, 8292/256=61...(17) H ARG 19 + QG2 ILE 7 OK 84 87 100 97 4.9-5.7 3.6/8283=58...(17) H VAL 5 - QG2 ILE 7 far 0 100 0 - 7.9-8.5 Violated in 2 structures by 0.01 A. Peak 8246 from cnoeabs.peaks (8.92, 1.42, 27.84 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.99: H LEU 57 + HG12 ILE 7 OK 99 99 100 100 3.4-5.8 9332/237=77...(19) H ARG 19 - HG12 ILE 7 far 5 93 5 - 5.8-7.9 H VAL 5 - HG12 ILE 7 far 0 100 0 - 9.6-10.5 Violated in 2 structures by 0.06 A. Peak 8247 from cnoeabs.peaks (8.68, 1.42, 27.84 ppm; 5.85 A): 2 out of 3 assignments used, quality = 0.90: H ALA 18 + HG12 ILE 7 OK 86 87 100 100 5.5-7.1 10378/2.1=58, ~8283=49...(19) H ASP 11 + HG12 ILE 7 OK 25 100 30 84 6.3-7.7 6144/10375=37...(9) H ASN 10 - HG12 ILE 7 far 3 61 5 - 7.0-8.1 Violated in 18 structures by 0.42 A. Peak 8248 from cnoeabs.peaks (7.81, 1.42, 27.84 ppm; 5.85 A): 1 out of 3 assignments used, quality = 1.00: H SER 9 + HG12 ILE 7 OK 100 100 100 100 4.3-4.9 8315/2.9=85, 4.6/6090=80...(15) H LYS 20 - HG12 ILE 7 far 0 93 0 - 8.7-10.7 HE ARG 30 - HG12 ILE 7 far 0 90 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 8249 from cnoeabs.peaks (7.82, 0.89, 27.84 ppm; 6.11 A): 1 out of 3 assignments used, quality = 1.00: H SER 9 + HG13 ILE 7 OK 100 100 100 100 4.4-4.9 8315/2.9=89, 8248/1.8=88...(17) H LYS 20 - HG13 ILE 7 far 0 87 0 - 8.1-10.6 HE ARG 30 - HG13 ILE 7 far 0 82 0 - 9.6-13.5 Violated in 0 structures by 0.00 A. Peak 8250 from cnoeabs.peaks (8.91, 0.89, 27.84 ppm; 6.04 A): 2 out of 3 assignments used, quality = 0.99: H LEU 57 + HG13 ILE 7 OK 91 91 100 100 3.8-5.6 8246/1.8=94, 9332/3.9=81...(16) H ARG 19 + HG13 ILE 7 OK 89 99 95 95 5.6-7.9 10377/2.1=45...(10) H VAL 5 - HG13 ILE 7 far 0 99 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 8253 from cnoeabs.peaks (5.45, 1.52, 41.02 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.92: HA LEU 6 + HB ILE 7 OK 92 92 100 100 3.9-4.3 6072/4.0=80, 8256/2.1=80...(27) Violated in 0 structures by 0.00 A. Peak 8254 from cnoeabs.peaks (4.88, 1.52, 41.02 ppm; 4.28 A): 2 out of 3 assignments used, quality = 1.00: HA THR 31 + HB ILE 7 OK 99 99 100 100 3.4-4.5 3.2/8732=71, 8255/2.1=53...(23) HA ARG 30 + HB ILE 7 OK 47 77 70 87 5.3-6.1 8255/2.1=30...(16) HA ILE 56 - HB ILE 7 poor 19 100 25 78 5.6-6.2 6930/6939=31...(11) Violated in 1 structures by 0.00 A. Peak 8255 from cnoeabs.peaks (4.89, 0.80, 16.81 ppm; 3.73 A): 2 out of 3 assignments used, quality = 0.99: HA THR 31 + QG2 ILE 7 OK 98 100 100 98 1.8-2.4 3.2/8282=63, 3.0/8264=40...(20) HA ARG 30 + QG2 ILE 7 OK 55 91 80 76 4.7-5.6 1385/8282=25...(14) HA ILE 56 - QG2 ILE 7 far 0 99 0 - 5.9-6.5 Violated in 0 structures by 0.00 A. Peak 8256 from cnoeabs.peaks (5.46, 0.80, 16.81 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + QG2 ILE 7 OK 99 99 100 100 4.4-4.7 6072/4.0=80, 8253/2.1=68...(26) Violated in 0 structures by 0.00 A. Peak 8257 from cnoeabs.peaks (3.92, 0.89, 27.84 ppm; 5.21 A): 2 out of 3 assignments used, quality = 1.00: HB3 SER 9 + HG13 ILE 7 OK 100 100 100 100 4.2-5.0 8328=100, 1.8/8322=90...(19) HA ALA 89 + HG13 ILE 7 OK 69 92 95 79 5.3-6.9 8259/2.1=38, ~12172=34...(7) HB2 SER 85 - HG13 ILE 7 far 0 94 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 8258 from cnoeabs.peaks (2.99, 0.89, 27.84 ppm; 5.38 A): 1 out of 8 assignments used, quality = 1.00: HB2 SER 9 + HG13 ILE 7 OK 100 100 100 100 3.7-4.7 8322=100, 8325/2.1=91...(20) HB3 ASP 11 - HG13 ILE 7 poor 13 100 40 33 6.0-7.9 8262/2.1=17...(3) HE2 LYS 33 - HG13 ILE 7 far 0 81 0 - 8.3-11.7 HE2 LYS 12 - HG13 ILE 7 far 0 96 0 - 8.6-13.1 HE3 LYS 12 - HG13 ILE 7 far 0 82 0 - 8.9-13.8 HE3 LYS 33 - HG13 ILE 7 far 0 81 0 - 9.1-12.5 HE3 LYS 13 - HG13 ILE 7 far 0 70 0 - 10.0-11.7 HE2 LYS 13 - HG13 ILE 7 far 0 73 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 8259 from cnoeabs.peaks (3.92, 0.62, 13.69 ppm; 4.85 A): 2 out of 5 assignments used, quality = 1.00: HB3 SER 9 + QD1 ILE 7 OK 100 100 100 100 5.0-5.7 8331=99, 1.8/8325=84...(19) HA ALA 89 + QD1 ILE 7 OK 82 92 100 89 3.0-4.2 2.1/12172=44...(16) HB2 SER 85 - QD1 ILE 7 far 0 94 0 - 7.7-9.0 HA ARG 91 - QD1 ILE 7 far 0 71 0 - 8.1-8.9 HB2 SER 97 - QD1 ILE 7 far 0 79 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 8260 from cnoeabs.peaks (3.78, 0.62, 13.69 ppm; 5.47 A): 2 out of 3 assignments used, quality = 1.00: HA ALA 18 + QD1 ILE 7 OK 100 100 100 100 3.9-4.4 2.9/10378=76...(26) HA ARG 19 + QD1 ILE 7 OK 71 75 100 94 4.4-6.0 4.9/8278=42...(18) HA LEU 64 - QD1 ILE 7 far 0 81 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 8261 from cnoeabs.peaks (3.26, 0.62, 13.69 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 15 + QD1 ILE 7 OK 99 100 100 100 2.5-3.2 678/8469=50, 8459=36...(35) Violated in 0 structures by 0.00 A. Peak 8262 from cnoeabs.peaks (2.99, 0.62, 13.69 ppm; 5.34 A): 2 out of 8 assignments used, quality = 1.00: HB2 SER 9 + QD1 ILE 7 OK 100 100 100 100 4.8-5.4 8325=99, 1.8/8331=92...(25) HB3 ASP 11 + QD1 ILE 7 OK 27 100 35 77 6.3-7.6 8445/8469=30...(10) HE2 LYS 33 - QD1 ILE 7 far 0 81 0 - 8.2-11.1 HE2 LYS 13 - QD1 ILE 7 far 0 73 0 - 8.6-10.1 HE3 LYS 13 - QD1 ILE 7 far 0 70 0 - 8.7-11.0 HE2 LYS 12 - QD1 ILE 7 far 0 96 0 - 8.8-11.2 HE3 LYS 12 - QD1 ILE 7 far 0 82 0 - 8.9-11.8 HE3 LYS 33 - QD1 ILE 7 far 0 81 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 8264 from cnoeabs.peaks (4.23, 0.80, 16.81 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.99: HB THR 31 + QG2 ILE 7 OK 99 99 100 100 2.7-3.8 2.1/8282=99, ~8732=67...(24) Violated in 0 structures by 0.00 A. Peak 8265 from cnoeabs.peaks (3.93, 0.80, 16.81 ppm; 4.07 A): 1 out of 4 assignments used, quality = 1.00: HB3 SER 9 + QG2 ILE 7 OK 100 100 100 100 3.8-4.6 1.8/8267=75, 8331/3.0=49...(21) HA ALA 89 - QG2 ILE 7 far 0 84 0 - 6.6-7.7 HA GLU 63 - QG2 ILE 7 far 0 98 0 - 8.7-9.5 HA TYR 41 - QG2 ILE 7 far 0 100 0 - 9.8-10.7 Violated in 16 structures by 0.30 A. Peak 8267 from cnoeabs.peaks (3.00, 0.80, 16.81 ppm; 3.87 A): 1 out of 8 assignments used, quality = 1.00: HB2 SER 9 + QG2 ILE 7 OK 100 100 100 100 3.5-4.1 1.8/8265=70, 8325/3.0=45...(28) HE2 LYS 33 - QG2 ILE 7 poor 8 87 45 20 4.6-7.5 8735/8282=7, 8729/8264=6...(6) HE3 LYS 33 - QG2 ILE 7 far 0 87 0 - 5.7-7.9 HB3 ASP 11 - QG2 ILE 7 far 0 100 0 - 5.9-7.0 HE3 LYS 12 - QG2 ILE 7 far 0 75 0 - 6.2-9.6 HE2 LYS 12 - QG2 ILE 7 far 0 99 0 - 6.2-8.9 HE3 LYS 13 - QG2 ILE 7 far 0 61 0 - 9.7-10.8 HE2 LYS 13 - QG2 ILE 7 far 0 65 0 - 9.7-10.2 Violated in 2 structures by 0.02 A. Peak 8271 from cnoeabs.peaks (1.20, 5.13, 58.46 ppm; 4.23 A): 3 out of 4 assignments used, quality = 1.00: HB2 LEU 57 + HA ILE 7 OK 99 99 100 100 3.6-4.4 1.8/8272=82, 9345=68...(25) HB2 LEU 6 + HA ILE 7 OK 87 87 100 100 3.9-4.5 ~6074=42, 6073/3.0=39...(32) QB ALA 18 + HA ILE 7 OK 78 87 100 89 4.8-5.4 8283/3.0=44, 8278/4.2=27...(17) QG2 THR 84 - HA ILE 7 far 0 59 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8272 from cnoeabs.peaks (1.82, 5.13, 58.46 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: HB3 LEU 57 + HA ILE 7 OK 100 100 100 100 2.5-3.0 9344=68, 6938/9332=57...(32) HB2 GLU 88 - HA ILE 7 far 0 98 0 - 9.4-11.3 HB ILE 93 - HA ILE 7 far 0 94 0 - 9.4-10.2 HB2 LYS 90 - HA ILE 7 far 0 99 0 - 9.6-11.9 Violated in 0 structures by 0.00 A. Peak 8273 from cnoeabs.peaks (1.90, 5.13, 58.46 ppm; 4.50 A): 1 out of 7 assignments used, quality = 0.99: HB ILE 8 + HA ILE 7 OK 99 100 100 100 4.4-4.9 6094/6087=83, 8299=74...(19) HB VAL 32 - HA ILE 7 poor 15 61 25 - 5.8-7.0 HB3 LEU 14 - HA ILE 7 far 0 100 0 - 7.7-8.5 HB2 ARG 19 - HA ILE 7 far 0 99 0 - 8.0-10.6 HB3 ARG 19 - HA ILE 7 far 0 82 0 - 8.6-10.9 HB VAL 54 - HA ILE 7 far 0 95 0 - 9.4-11.2 HB2 GLU 17 - HA ILE 7 far 0 59 0 - 9.6-11.9 Violated in 18 structures by 0.18 A. Peak 8275 from cnoeabs.peaks (1.14, 1.52, 41.02 ppm; 4.00 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 31 + HB ILE 7 OK 100 100 100 100 3.0-3.8 8732=100, 8282/2.1=88...(24) HB2 LEU 6 + HB ILE 7 OK 58 63 95 96 4.9-5.8 3.0/8253=42, 4.3/241=31...(26) HB2 LEU 29 - HB ILE 7 far 5 95 5 - 5.0-6.5 QG2 THR 31 - HB2 LEU 14 far 0 91 0 - 7.9-8.3 Violated in 0 structures by 0.00 A. Peak 8276 from cnoeabs.peaks (1.22, 1.52, 41.02 ppm; 4.62 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 18 + HB ILE 7 OK 99 99 100 99 2.9-4.0 8283/2.1=72, 8278/3.2=47...(21) QB ALA 18 + HB2 LEU 14 OK 88 89 100 99 4.5-5.7 12013/3.1=53...(20) HB2 LEU 57 + HB ILE 7 OK 87 87 100 100 5.1-5.9 1.8/8277=81, ~8272=51...(38) HB2 LEU 57 - HB2 LEU 14 far 0 74 0 - 6.5-8.1 QG2 THR 84 - HB2 LEU 14 far 0 75 0 - 6.7-8.4 Violated in 0 structures by 0.00 A. Peak 8277 from cnoeabs.peaks (1.81, 1.52, 41.02 ppm; 4.52 A): 1 out of 10 assignments used, quality = 0.97: HB3 LEU 57 + HB ILE 7 OK 97 97 100 100 3.8-4.3 8272/3.0=70...(39) HB2 LYS 90 - HB2 LEU 14 far 0 91 0 - 6.1-8.2 HB2 GLU 88 - HB2 LEU 14 far 0 91 0 - 6.8-8.8 HB3 LYS 90 - HB2 LEU 14 far 0 74 0 - 6.9-9.2 HB3 LEU 57 - HB2 LEU 14 far 0 85 0 - 7.3-8.3 HB ILE 93 - HB ILE 7 far 0 100 0 - 8.2-9.8 HB2 LYS 90 - HB ILE 7 far 0 100 0 - 8.4-11.1 HB3 LYS 90 - HB ILE 7 far 0 87 0 - 8.6-10.6 HB3 GLU 63 - HB ILE 7 far 0 73 0 - 9.5-10.4 HB ILE 93 - HB2 LEU 14 far 0 90 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 8278 from cnoeabs.peaks (1.22, 0.62, 13.69 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.99: QB ALA 18 + QD1 ILE 7 OK 95 100 100 95 1.7-2.0 643/8261=34, 8483=32...(31) HB2 LEU 57 + QD1 ILE 7 OK 77 79 100 98 2.4-3.2 1.8/8287=36, ~8284=26...(29) QG2 THR 84 - QD1 ILE 7 far 0 94 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 8279 from cnoeabs.peaks (1.12, 0.62, 13.69 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.97: QG2 THR 31 + QD1 ILE 7 OK 94 94 100 100 4.1-4.6 8282/3.0=70, 8732/3.2=68...(23) HB2 LEU 29 + QD1 ILE 7 OK 57 63 100 89 4.3-5.9 3.0/277=37, 4.3/10380=16...(21) HG3 LYS 82 - QD1 ILE 7 far 0 96 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 8280 from cnoeabs.peaks (1.13, 0.89, 27.84 ppm; 5.15 A): 1 out of 3 assignments used, quality = 0.98: QG2 THR 31 + HG13 ILE 7 OK 98 98 100 100 4.1-5.0 8732/2.9=90, 8282/3.2=87...(19) HB2 LEU 29 - HG13 ILE 7 far 0 73 0 - 7.1-8.7 HG3 LYS 82 - HG13 ILE 7 far 0 99 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 8281 from cnoeabs.peaks (1.21, 0.89, 27.84 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 57 + HG13 ILE 7 OK 98 98 100 100 3.3-5.0 1.8/8285=77, ~8284=63...(29) QB ALA 18 + HG13 ILE 7 OK 92 93 100 99 3.1-4.3 8283/3.2=55, 8278/2.1=49...(21) HB2 LEU 6 - HG13 ILE 7 far 0 79 0 - 6.2-7.4 QG2 THR 84 - HG13 ILE 7 far 0 70 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 8282 from cnoeabs.peaks (1.14, 0.80, 16.81 ppm; 3.15 A): 1 out of 5 assignments used, quality = 0.98: QG2 THR 31 + QG2 ILE 7 OK 98 100 100 98 1.7-1.8 8732/2.1=53, 8730=29...(25) HB2 LEU 6 - QG2 ILE 7 far 0 63 0 - 4.7-5.3 HB2 LEU 29 - QG2 ILE 7 far 0 95 0 - 6.0-6.9 QG2 THR 34 - QG2 ILE 7 far 0 73 0 - 8.2-9.2 HG3 LYS 82 - QG2 ILE 7 far 0 100 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 8283 from cnoeabs.peaks (1.22, 0.80, 16.81 ppm; 3.82 A): 2 out of 3 assignments used, quality = 0.97: QB ALA 18 + QG2 ILE 7 OK 97 100 100 97 3.2-4.2 8278/3.0=38, 643/637=30...(26) HB2 LEU 57 + QG2 ILE 7 OK 24 79 30 100 5.1-6.1 ~8277=38, ~8272=34...(35) QG2 THR 84 - QG2 ILE 7 far 0 94 0 - 9.0-10.0 Violated in 11 structures by 0.07 A. Peak 8284 from cnoeabs.peaks (1.83, 1.42, 27.84 ppm; 4.38 A): 1 out of 8 assignments used, quality = 1.00: HB3 LEU 57 + HG12 ILE 7 OK 100 100 100 100 2.0-4.0 12134=80, 12133/1.8=66...(34) HB VAL 5 - HG12 ILE 7 far 0 77 0 - 7.8-8.5 HB2 LYS 90 - HG12 ILE 7 far 0 93 0 - 8.1-10.5 HB3 LYS 90 - HG12 ILE 7 far 0 100 0 - 8.7-10.5 HB2 GLU 88 - HG12 ILE 7 far 0 90 0 - 8.7-9.8 HB ILE 93 - HG12 ILE 7 far 0 81 0 - 8.7-9.8 HB2 LYS 12 - HG12 ILE 7 far 0 71 0 - 9.0-11.1 HB3 LYS 12 - HG12 ILE 7 far 0 68 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 8285 from cnoeabs.peaks (1.81, 0.89, 27.84 ppm; 4.73 A): 1 out of 6 assignments used, quality = 0.99: HB3 LEU 57 + HG13 ILE 7 OK 99 99 100 100 2.2-4.1 12133=95, 12134/1.8=80...(32) HB2 LYS 90 - HG13 ILE 7 far 0 100 0 - 7.4-10.2 HB3 GLU 63 - HG13 ILE 7 far 0 65 0 - 8.0-9.9 HB3 LYS 90 - HG13 ILE 7 far 0 92 0 - 8.1-10.4 HB2 GLU 88 - HG13 ILE 7 far 0 100 0 - 8.3-10.3 HB ILE 93 - HG13 ILE 7 far 0 99 0 - 9.0-10.0 Violated in 0 structures by 0.00 A. Peak 8286 from cnoeabs.peaks (1.71, 0.62, 13.69 ppm; 4.53 A): 2 out of 17 assignments used, quality = 1.00: HG12 ILE 15 + QD1 ILE 7 OK 96 96 100 100 3.5-4.2 2.1/8469=88, 4.1/8261=60...(31) HB ILE 15 + QD1 ILE 7 OK 91 91 100 100 5.1-5.7 3.0/8261=74, 3.2/8469=72...(38) HD2 LYS 90 - QD1 ILE 7 poor 7 75 40 22 5.4-8.0 3.6/8287=8, 6.1/10379=6...(4) HD3 LYS 90 - QD1 ILE 7 far 0 98 0 - 6.1-8.1 HD2 LYS 13 - QD1 ILE 7 far 0 99 0 - 6.9-10.0 HG3 LYS 20 - QD1 ILE 7 far 0 70 0 - 6.9-9.2 HD3 LYS 13 - QD1 ILE 7 far 0 100 0 - 7.3-10.0 HD2 LYS 20 - QD1 ILE 7 far 0 75 0 - 7.5-9.1 HD3 LYS 20 - QD1 ILE 7 far 0 70 0 - 7.7-9.6 HB3 ARG 91 - QD1 ILE 7 far 0 84 0 - 7.8-9.7 HG2 PRO 86 - QD1 ILE 7 far 0 96 0 - 7.9-8.6 HD2 LYS 12 - QD1 ILE 7 far 0 99 0 - 8.1-9.5 HD3 LYS 33 - QD1 ILE 7 far 0 96 0 - 8.7-9.7 HD2 ARG 81 - QD1 ILE 7 far 0 95 0 - 8.7-10.0 HD2 LYS 33 - QD1 ILE 7 far 0 96 0 - 9.0-10.9 HD3 LYS 12 - QD1 ILE 7 far 0 99 0 - 9.1-10.6 HB2 GLU 28 - QD1 ILE 7 far 0 70 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 8287 from cnoeabs.peaks (1.82, 0.62, 13.69 ppm; 4.20 A): 1 out of 7 assignments used, quality = 0.99: HB3 LEU 57 + QD1 ILE 7 OK 99 99 100 100 1.9-2.2 8284/2.1=62, 8285/2.1=60...(41) HB2 LYS 90 - QD1 ILE 7 poor 14 100 50 28 5.0-7.1 1684/12172=8...(8) HB ILE 93 - QD1 ILE 7 far 10 98 10 - 5.6-6.4 HB3 LYS 90 - QD1 ILE 7 far 5 94 5 - 5.4-6.9 HB2 GLU 88 - QD1 ILE 7 far 0 100 0 - 6.2-7.9 HB3 GLU 63 - QD1 ILE 7 far 0 61 0 - 8.4-9.5 HB2 GLU 104 - QD1 ILE 7 far 0 100 0 - 9.9-18.0 Violated in 0 structures by 0.00 A. Peak 8293 from cnoeabs.peaks (8.48, 1.90, 37.66 ppm; 6.00 A): 3 out of 4 assignments used, quality = 1.00: H VAL 32 + HB ILE 8 OK 100 100 100 100 5.2-5.9 10147/3.0=94...(13) H ALA 67 + HB ILE 8 OK 99 100 100 99 6.0-7.2 9521/10383=51...(20) H ILE 7 + HB ILE 8 OK 92 92 100 100 5.7-6.3 3.0/8273=93, 4.7/6094=87...(12) H THR 31 - HB ILE 8 far 0 94 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 8294 from cnoeabs.peaks (8.49, 1.36, 26.30 ppm; 5.18 A): 3 out of 5 assignments used, quality = 1.00: H VAL 32 + HG12 ILE 8 OK 99 99 100 100 2.9-4.7 6509/12204=82...(20) H ILE 7 + HG12 ILE 8 OK 75 75 100 100 3.4-4.6 4.7/6096=69, 3.0/8303=61...(22) H ALA 67 + HG12 ILE 8 OK 57 99 60 96 6.0-7.8 9520/2.1=34...(21) H THR 31 - HG12 ILE 8 far 5 100 5 - 6.6-8.2 H ARG 79 - HG12 ILE 8 far 0 99 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 8296 from cnoeabs.peaks (8.48, 0.89, 26.30 ppm; 5.63 A): 3 out of 5 assignments used, quality = 1.00: H VAL 32 + HG13 ILE 8 OK 100 100 100 100 2.5-4.6 6509/12203=88...(18) H ALA 67 + HG13 ILE 8 OK 92 100 95 96 5.8-7.2 9520/2.1=36, 2.9/317=30...(18) H ILE 7 + HG13 ILE 8 OK 82 82 100 100 3.7-6.3 3.0/8305=69, ~8303=55...(16) H THR 31 - HG13 ILE 8 poor 19 99 30 63 6.6-8.4 4.6/6510=31...(7) H ARG 79 - HG13 ILE 8 far 0 97 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 8297 from cnoeabs.peaks (8.49, 0.71, 13.69 ppm; 4.63 A): 7 out of 14 assignments used, quality = 1.00: H VAL 32 + QD1 ILE 8 OK 99 99 100 100 4.0-5.0 6509/12200=74...(18) H ALA 67 + QD1 ILE 8 OK 96 99 100 97 3.2-5.0 9520=36, 2.9/10681=28...(28) H ARG 79 + QD1 ILE 56 OK 92 96 100 96 2.1-5.8 9697/5.0=44, 7291/2.1=27...(22) H ILE 7 + QD1 ILE 8 OK 72 73 100 99 3.2-5.1 ~8303=34, 8270/12200=34...(23) H VAL 54 + QD1 ILE 56 OK 57 98 95 61 4.9-7.7 6896/12126=24...(10) H ILE 7 + QD1 ILE 56 OK 35 68 65 79 3.6-6.9 8251/4.2=18, ~9306=15...(14) H ALA 67 + QD1 ILE 56 OK 33 95 35 98 5.2-7.1 ~10677=50, ~9528=41...(16) H VAL 32 - QD1 ILE 56 far 5 95 5 - 4.8-9.0 H THR 31 - QD1 ILE 56 far 0 97 0 - 6.7-10.2 H THR 31 - QD1 ILE 8 far 0 100 0 - 7.0-8.1 H ARG 79 - QD1 ILE 8 far 0 99 0 - 7.2-8.8 H LYS 53 - QD1 ILE 56 far 0 83 0 - 7.9-10.2 H LEU 29 - QD1 ILE 56 far 0 55 0 - 8.2-11.1 H VAL 54 - QD1 ILE 8 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 8299 from cnoeabs.peaks (5.13, 1.90, 37.66 ppm; 4.97 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 7 + HB ILE 8 OK 100 100 100 100 4.4-4.9 8273=99, 6087/6094=92...(19) HA VAL 5 - HB ILE 8 far 0 87 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 8300 from cnoeabs.peaks (5.25, 1.90, 37.66 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 58 + HB ILE 8 OK 100 100 100 100 1.9-2.7 9374=100, 8298/6094=49...(37) Violated in 0 structures by 0.00 A. Peak 8301 from cnoeabs.peaks (2.58, 1.90, 37.66 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.96: HB VAL 58 + HB ILE 8 OK 96 96 100 100 2.1-3.1 3.0/9374=85...(31) Violated in 0 structures by 0.00 A. Peak 8302 from cnoeabs.peaks (5.26, 0.79, 17.45 ppm; 4.56 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 58 + QG2 ILE 8 OK 100 100 100 100 3.0-4.0 9374/2.1=93, 8298/4.0=62...(34) HA VAL 58 - QG2 ILE 15 far 0 70 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 8303 from cnoeabs.peaks (5.13, 1.36, 26.30 ppm; 5.64 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 7 + HG12 ILE 8 OK 100 100 100 100 3.4-4.2 6087/6096=98...(22) HA VAL 5 - HG12 ILE 8 far 0 87 0 - 8.5-9.5 Violated in 0 structures by 0.00 A. Peak 8304 from cnoeabs.peaks (5.25, 1.36, 26.30 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 58 + HG12 ILE 8 OK 100 100 100 100 3.0-4.8 9374/2.9=99...(37) Violated in 0 structures by 0.00 A. Peak 8305 from cnoeabs.peaks (5.12, 0.89, 26.30 ppm; 5.76 A): 1 out of 2 assignments used, quality = 0.98: HA ILE 7 + HG13 ILE 8 OK 98 99 100 100 3.7-5.8 8273/2.9=89, 6087/4.6=88...(17) HA VAL 5 - HG13 ILE 8 far 0 97 0 - 8.8-10.5 Violated in 1 structures by 0.00 A. Peak 8306 from cnoeabs.peaks (3.86, 0.71, 13.69 ppm; 4.21 A): 5 out of 16 assignments used, quality = 1.00: HA LEU 38 + QD1 ILE 8 OK 90 97 100 92 4.1-5.2 8855=44, 3.0/12202=30...(14) HA ALA 67 + QD1 ILE 8 OK 83 100 95 87 3.7-5.8 2.1/10681=29...(22) HA ALA 67 + QD1 ILE 56 OK 75 97 80 98 4.6-6.1 ~10677=51, ~9528=43...(20) HA GLU 35 + QD1 ILE 8 OK 37 82 90 50 4.9-6.5 12057/8851=16...(11) HA LEU 38 + QD1 ILE 56 OK 21 93 45 50 3.5-7.8 3.0/12202=15, 8855=8...(15) HA ALA 71 - QD1 ILE 56 far 9 93 10 - 5.2-7.2 HA GLU 35 - QD1 ILE 56 far 0 77 0 - 6.2-9.3 HA3 GLY 101 - QD1 ILE 56 far 0 67 0 - 7.2-12.4 HA2 GLY 101 - QD1 ILE 56 far 0 97 0 - 8.0-13.2 HA ALA 71 - QD1 ILE 8 far 0 97 0 - 8.1-9.5 HB2 SER 102 - QD1 ILE 56 far 0 65 0 - 8.4-14.8 HA LYS 40 - QD1 ILE 56 far 0 97 0 - 8.5-11.2 HA GLU 43 - QD1 ILE 56 far 0 83 0 - 8.6-10.5 HA ALA 22 - QD1 ILE 56 far 0 67 0 - 9.4-12.1 HA2 GLY 100 - QD1 ILE 56 far 0 97 0 - 9.6-13.5 HA LYS 40 - QD1 ILE 8 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 8307 from cnoeabs.peaks (2.58, 0.71, 13.69 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.96: HB VAL 58 + QD1 ILE 8 OK 96 96 100 100 2.9-4.2 8301/3.2=77...(36) HB VAL 58 - QD1 ILE 56 far 5 92 5 - 6.1-8.2 Violated in 0 structures by 0.00 A. Peak 8308 from cnoeabs.peaks (2.20, 0.71, 13.69 ppm; 5.05 A): 1 out of 10 assignments used, quality = 1.00: HB2 GLU 63 + QD1 ILE 8 OK 100 100 100 100 1.8-3.7 10744/3.0=57...(22) HG3 GLU 35 - QD1 ILE 8 far 15 100 15 - 6.0-9.1 HB2 GLU 63 - QD1 ILE 56 far 5 98 5 - 5.4-8.8 HG2 GLU 35 - QD1 ILE 8 far 0 100 0 - 6.9-8.9 HG3 GLU 35 - QD1 ILE 56 far 0 98 0 - 7.5-12.2 HG2 GLU 35 - QD1 ILE 56 far 0 98 0 - 7.7-12.2 HB3 GLN 72 - QD1 ILE 56 far 0 55 0 - 8.6-10.9 HG2 GLU 43 - QD1 ILE 56 far 0 96 0 - 9.0-11.4 HB2 GLN 72 - QD1 ILE 56 far 0 67 0 - 9.0-11.5 HG2 GLU 99 - QD1 ILE 56 far 0 80 0 - 9.1-15.0 Violated in 0 structures by 0.00 A. Peak 8309 from cnoeabs.peaks (2.19, 0.79, 17.45 ppm; 4.97 A): 4 out of 13 assignments used, quality = 1.00: HB2 GLU 63 + QG2 ILE 8 OK 99 99 100 100 1.9-2.4 10744=77, 8308/3.0=65...(23) HB3 GLN 50 + QG2 ILE 52 OK 61 63 100 96 3.9-6.1 6830/9107=39...(17) HB3 GLU 16 + QG2 ILE 15 OK 56 56 100 99 4.6-5.3 3.0/8530=82, 6238/4.4=67...(16) HG2 MET 1 + QG2 ILE 52 OK 42 66 65 98 4.7-7.7 8034/3.2=59, ~8035=39...(15) HG3 GLU 35 - QG2 ILE 8 far 0 99 0 - 6.8-9.8 HB3 GLU 75 - QG2 ILE 52 far 0 68 0 - 7.4-11.0 HG2 GLU 35 - QG2 ILE 8 far 0 99 0 - 7.9-9.4 HB3 GLU 23 - QG2 ILE 15 far 0 40 0 - 8.3-9.9 HG3 GLU 75 - QG2 ILE 52 far 0 63 0 - 8.8-12.8 HG2 GLU 43 - QG2 ILE 52 far 0 69 0 - 9.0-11.9 HG2 GLU 75 - QG2 ILE 52 far 0 61 0 - 9.1-12.9 HB2 GLU 63 - QG2 ILE 15 far 0 68 0 - 9.4-10.7 HG3 PRO 86 - QG2 ILE 15 far 0 69 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 8310 from cnoeabs.peaks (2.29, 0.79, 17.45 ppm; 4.49 A): 4 out of 12 assignments used, quality = 1.00: HG2 GLU 63 + QG2 ILE 8 OK 98 100 100 98 3.2-4.2 3.0/10744=46...(15) HB2 GLU 48 + QG2 ILE 52 OK 67 67 100 100 2.0-5.7 9040/3.1=61, 9039=52...(39) HG3 GLU 16 + QG2 ILE 15 OK 66 69 100 96 3.0-5.6 6240/4.4=59, 4.1/8530=57...(12) HG2 GLU 62 + QG2 ILE 8 OK 33 82 95 42 4.9-6.0 2783/10746=12...(7) HG3 GLU 62 - QG2 ILE 8 poor 16 82 20 - 5.4-6.6 HB2 TYR 4 - QG2 ILE 52 poor 14 68 20 - 4.9-7.0 HG2 GLU 37 - QG2 ILE 8 poor 7 73 45 22 5.3-8.4 10157/302=8, 8754/8750=7...(5) HB2 TYR 41 - QG2 ILE 8 far 0 87 0 - 7.7-9.1 HG3 GLU 43 - QG2 ILE 52 far 0 43 0 - 7.8-11.0 HG2 GLU 23 - QG2 ILE 15 far 0 59 0 - 7.8-10.8 HB2 TYR 41 - QG2 ILE 52 far 0 53 0 - 9.0-11.3 HG2 GLU 37 - QG2 ILE 15 far 0 44 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 8312 from cnoeabs.peaks (0.61, 1.36, 26.30 ppm; 4.67 A): 2 out of 3 assignments used, quality = 1.00: QG2 ILE 56 + HG12 ILE 8 OK 99 100 100 99 2.2-3.9 10383/2.9=59...(31) QD1 ILE 7 + HG12 ILE 8 OK 73 97 85 88 5.6-6.3 4.2/8303=41, 280/6096=32...(10) QD2 LEU 29 - HG12 ILE 8 far 3 65 5 - 6.0-7.8 Violated in 0 structures by 0.00 A. Peak 8313 from cnoeabs.peaks (0.60, 0.71, 13.69 ppm; 2.90 A): 2 out of 4 assignments used, quality = 0.99: QG2 ILE 56 + QD1 ILE 56 OK 94 97 100 97 1.8-3.3 3.0=87, 2574/2.1=19...(22) QG2 ILE 56 + QD1 ILE 8 OK 81 100 100 81 1.7-2.6 2574=24, 9325/2.1=20...(21) QD1 ILE 7 - QD1 ILE 8 far 0 87 0 - 4.8-6.7 QD1 ILE 7 - QD1 ILE 56 far 0 82 0 - 5.5-7.6 Violated in 0 structures by 0.00 A. Peak 8317 from cnoeabs.peaks (0.70, 4.43, 58.48 ppm; 4.25 A): 2 out of 12 assignments used, quality = 0.96: QD2 LEU 14 + HA SER 9 OK 84 86 100 98 4.3-5.1 6107/2.9=44, 8401/4.1=41...(22) QD1 ILE 52 + HA ILE 76 OK 76 100 90 84 3.9-6.8 10640/3.2=32...(17) QG1 VAL 58 - HA SER 9 poor 19 76 25 - 5.5-6.5 QG2 VAL 58 - HA SER 9 far 7 69 10 - 5.7-6.7 QD1 LEU 14 - HA SER 9 far 4 72 5 - 5.7-6.4 QG2 VAL 78 - HA ILE 76 far 0 91 0 - 5.8-6.6 QD1 ILE 8 - HA SER 9 far 0 85 0 - 5.9-6.4 QD1 LEU 42 - HA ILE 76 far 0 98 0 - 6.2-7.5 QD1 ILE 56 - HA ILE 76 far 0 100 0 - 7.9-10.4 QD1 ILE 56 - HA SER 9 far 0 86 0 - 8.6-11.5 QD2 LEU 6 - HA ILE 76 far 0 97 0 - 9.6-10.8 HG13 ILE 56 - HA ILE 76 far 0 97 0 - 9.9-12.7 Violated in 11 structures by 0.12 A. Peak 8318 from cnoeabs.peaks (-0.15, 4.43, 58.48 ppm; 4.91 A): 0 out of 0 assignments used, quality = 0.00: Peak 8319 from cnoeabs.peaks (1.89, 2.99, 64.26 ppm; 5.90 A): 2 out of 8 assignments used, quality = 1.00: HB ILE 8 + HB2 SER 9 OK 98 100 100 99 4.7-6.2 6103/6109=88, ~8344=40...(8) HB3 LEU 14 + HB2 SER 9 OK 98 98 100 100 3.6-5.6 3.1/8324=57, ~8403=56...(29) HB3 LYS 12 - HB2 SER 9 far 0 88 0 - 7.8-10.2 HB2 LYS 12 - HB2 SER 9 far 0 85 0 - 7.8-10.3 HB3 LYS 13 - HB2 SER 9 far 0 85 0 - 8.6-10.8 HB2 LYS 13 - HB2 SER 9 far 0 82 0 - 8.7-10.6 HB2 LYS 33 - HB2 SER 9 far 0 81 0 - 9.1-10.7 HB2 ARG 19 - HB2 SER 9 far 0 100 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 8320 from cnoeabs.peaks (1.71, 2.99, 64.26 ppm; 4.64 A): 2 out of 10 assignments used, quality = 0.99: HG12 ILE 15 + HB2 SER 9 OK 98 98 100 100 2.7-4.7 1.8/8444=72, ~10417=49...(24) HB ILE 15 + HB2 SER 9 OK 69 87 80 99 5.1-7.3 2.9/8444=60, ~10417=40...(20) HD2 LYS 13 - HB2 SER 9 far 0 100 0 - 6.4-10.1 HD3 LYS 13 - HB2 SER 9 far 0 100 0 - 6.5-8.8 HD2 LYS 33 - HB2 SER 9 far 0 93 0 - 7.5-9.8 HD3 LYS 33 - HB2 SER 9 far 0 93 0 - 7.6-10.6 HD2 LYS 12 - HB2 SER 9 far 0 100 0 - 7.9-10.3 HD3 LYS 12 - HB2 SER 9 far 0 100 0 - 8.4-11.6 HD2 LYS 90 - HB2 SER 9 far 0 70 0 - 9.1-14.2 HG2 PRO 86 - HB2 SER 9 far 0 98 0 - 9.3-10.7 Violated in 1 structures by 0.00 A. Peak 8321 from cnoeabs.peaks (1.43, 2.99, 64.26 ppm; 5.33 A): 2 out of 5 assignments used, quality = 1.00: HG12 ILE 7 + HB2 SER 9 OK 100 100 100 100 3.6-4.5 1.8/8322=92, 2.1/8325=90...(21) HG2 LYS 13 + HB2 SER 9 OK 48 100 75 64 6.1-8.1 12015/8324=21...(11) HG2 LYS 12 - HB2 SER 9 far 0 96 0 - 6.9-11.4 HG LEU 29 - HB2 SER 9 far 0 100 0 - 9.3-10.6 HD2 LYS 82 - HB2 SER 9 far 0 79 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 8322 from cnoeabs.peaks (0.89, 2.99, 64.26 ppm; 4.75 A): 1 out of 5 assignments used, quality = 1.00: HG13 ILE 7 + HB2 SER 9 OK 100 100 100 100 3.7-4.7 2.1/8325=77, 8328/1.8=74...(20) HG13 ILE 8 - HB2 SER 9 far 0 100 0 - 6.6-7.9 QD1 LEU 38 - HB2 SER 9 far 0 79 0 - 7.9-12.6 QG1 VAL 32 - HB2 SER 9 far 0 94 0 - 8.4-9.7 QD2 LEU 64 - HB2 SER 9 far 0 82 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 8323 from cnoeabs.peaks (0.78, 2.99, 64.26 ppm; 3.53 A): 3 out of 9 assignments used, quality = 1.00: QG2 ILE 7 + HB2 SER 9 OK 95 96 100 99 3.5-4.1 8267=65, 8265/1.8=54...(28) QD1 ILE 15 + HB2 SER 9 OK 86 88 100 97 2.2-4.2 2.1/8444=37...(27) HG13 ILE 15 + HB2 SER 9 OK 65 81 85 95 3.7-5.7 8444=29, ~10417=27...(23) QG2 ILE 8 - HB2 SER 9 far 15 100 15 - 4.6-5.6 QG2 ILE 15 - HB2 SER 9 far 0 82 0 - 5.1-6.8 QD2 LEU 57 - HB2 SER 9 far 0 98 0 - 7.3-8.2 QD1 ILE 93 - HB2 SER 9 far 0 98 0 - 8.2-9.2 QD2 LEU 38 - HB2 SER 9 far 0 57 0 - 8.6-10.4 QD1 LEU 6 - HB2 SER 9 far 0 98 0 - 8.8-10.1 Violated in 1 structures by 0.00 A. Peak 8324 from cnoeabs.peaks (0.71, 2.99, 64.26 ppm; 3.74 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 14 + HB2 SER 9 OK 100 100 100 100 1.8-3.2 8414=50, 8401/2.8=39...(34) QD1 LEU 14 + HB2 SER 9 OK 70 71 100 97 3.6-4.3 2.1/8414=36, 8403/2.8=26...(25) QG1 VAL 58 - HB2 SER 9 far 0 99 0 - 5.6-6.8 QG2 VAL 58 - HB2 SER 9 far 0 68 0 - 5.6-7.0 QD1 ILE 8 - HB2 SER 9 far 0 100 0 - 6.0-7.4 QG1 VAL 5 - HB2 SER 9 far 0 96 0 - 8.6-9.1 QD1 ILE 56 - HB2 SER 9 far 0 100 0 - 8.6-11.3 QD1 LEU 64 - HB2 SER 9 far 0 75 0 - 8.9-10.8 QD2 LEU 6 - HB2 SER 9 far 0 87 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8325 from cnoeabs.peaks (0.61, 2.99, 64.26 ppm; 4.65 A): 1 out of 3 assignments used, quality = 1.00: QD1 ILE 7 + HB2 SER 9 OK 100 100 100 100 4.8-5.4 8331/1.8=77, 2.1/8322=72...(25) QD2 LEU 29 - HB2 SER 9 far 0 79 0 - 7.1-8.1 QG2 ILE 56 - HB2 SER 9 far 0 97 0 - 7.2-8.2 Violated in 20 structures by 0.46 A. Peak 8326 from cnoeabs.peaks (1.71, 3.92, 64.26 ppm; 5.05 A): 2 out of 16 assignments used, quality = 0.99: HG12 ILE 15 + HB3 SER 9 OK 98 98 100 100 3.1-5.1 2.1/10417=74, ~8444=63...(17) HG2 PRO 86 + HB2 SER 85 OK 67 67 100 99 4.5-6.1 ~9873=64, ~9891=50...(15) HD2 LYS 90 - HB2 SER 85 poor 19 43 45 - 5.7-10.0 HD2 LYS 13 - HB2 SER 85 poor 18 71 35 71 6.0-11.0 9875/1.8=21...(15) HD3 LYS 13 - HB2 SER 85 poor 18 72 35 71 6.0-10.2 9875/1.8=21...(15) HB ILE 15 - HB3 SER 9 poor 17 87 20 - 5.4-7.5 HD3 LYS 90 - HB2 SER 85 poor 5 70 30 25 6.2-8.7 4043/9846=12...(6) HD3 LYS 13 - HB3 SER 9 far 5 100 5 - 6.2-9.1 HD2 LYS 13 - HB3 SER 9 far 5 100 5 - 6.4-9.9 HD2 LYS 33 - HB3 SER 9 far 0 93 0 - 7.8-10.4 HB3 ARG 91 - HB2 SER 85 far 0 57 0 - 7.8-9.6 HD3 LYS 33 - HB3 SER 9 far 0 93 0 - 8.0-10.5 HD2 LYS 12 - HB3 SER 9 far 0 100 0 - 8.1-10.4 HD3 LYS 12 - HB3 SER 9 far 0 100 0 - 8.4-11.7 HG2 PRO 86 - HB3 SER 9 far 0 98 0 - 9.3-10.8 HD2 LYS 90 - HB3 SER 9 far 0 70 0 - 9.7-13.8 Violated in 0 structures by 0.00 A. Peak 8327 from cnoeabs.peaks (1.41, 3.92, 64.26 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.98: HG12 ILE 7 + HB3 SER 9 OK 96 96 100 100 4.2-5.1 1.8/8328=100...(21) HG2 LYS 13 + HB3 SER 9 OK 40 91 90 49 5.9-8.1 8321/1.8=26...(6) HG2 LYS 12 - HB3 SER 9 far 10 65 15 - 6.7-10.4 HG2 LYS 13 - HB2 SER 85 far 0 60 0 - 8.2-9.7 HG LEU 29 - HB3 SER 9 far 0 84 0 - 9.7-11.1 HG12 ILE 7 - HB2 SER 85 far 0 65 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8328 from cnoeabs.peaks (0.89, 3.92, 64.26 ppm; 4.99 A): 1 out of 8 assignments used, quality = 1.00: HG13 ILE 7 + HB3 SER 9 OK 100 100 100 100 4.2-5.0 8322/1.8=85, 2.1/8331=82...(19) HG13 ILE 8 - HB3 SER 9 far 5 100 5 - 6.5-8.1 QG1 VAL 32 - HB3 SER 9 far 0 98 0 - 8.3-9.6 QD1 LEU 38 - HB3 SER 9 far 0 70 0 - 8.4-13.3 QD2 LEU 64 - HB3 SER 9 far 0 73 0 - 9.2-11.7 HB2 ARG 81 - HB3 SER 9 far 0 59 0 - 9.7-11.7 QD1 LEU 103 - HB2 SER 85 far 0 48 0 - 9.8-19.8 HG13 ILE 7 - HB2 SER 85 far 0 72 0 - 9.9-10.8 Violated in 1 structures by 0.00 A. Peak 8329 from cnoeabs.peaks (0.78, 3.92, 64.26 ppm; 3.65 A): 3 out of 12 assignments used, quality = 1.00: QD1 ILE 15 + HB3 SER 9 OK 92 95 100 97 2.2-4.2 10417=34, ~8444=30...(24) QG2 ILE 7 + HB3 SER 9 OK 89 90 100 99 3.8-4.6 8265=62, 8267/1.8=53...(21) QG2 ILE 8 + HB3 SER 9 OK 63 99 80 80 4.5-5.8 4.1/6110=38, 3.2/8344=19...(12) HG13 ILE 15 - HB3 SER 9 poor 18 90 20 - 4.1-6.2 QG2 ILE 15 - HB3 SER 9 far 0 71 0 - 5.4-7.1 QD2 LEU 57 - HB3 SER 9 far 0 93 0 - 7.1-8.8 QD1 ILE 93 - HB3 SER 9 far 0 100 0 - 8.5-9.4 QD1 LEU 64 - HB3 SER 9 far 0 68 0 - 8.5-11.0 QD1 ILE 93 - HB2 SER 85 far 0 71 0 - 8.8-10.0 QD1 LEU 6 - HB3 SER 9 far 0 100 0 - 8.8-10.7 QD1 ILE 15 - HB2 SER 85 far 0 64 0 - 9.4-10.1 QD2 LEU 57 - HB2 SER 85 far 0 62 0 - 9.6-10.3 Violated in 2 structures by 0.00 A. Peak 8330 from cnoeabs.peaks (0.71, 3.92, 64.26 ppm; 3.89 A): 3 out of 13 assignments used, quality = 1.00: QD2 LEU 14 + HB3 SER 9 OK 99 100 100 99 2.3-3.4 10408=46, 8324/1.8=46...(29) QD1 LEU 14 + HB3 SER 9 OK 69 71 100 97 3.6-4.4 2.1/10408=33...(21) QD1 LEU 14 + HB2 SER 85 OK 39 44 100 88 4.4-4.9 10413/4.0=26...(17) QG1 VAL 58 - HB3 SER 9 poor 16 99 25 63 5.2-7.4 10226=20, 4.2/8349=14...(12) QG2 VAL 58 - HB3 SER 9 poor 14 68 20 - 5.0-7.4 QD1 ILE 8 - HB3 SER 9 far 0 100 0 - 5.5-7.7 QD2 LEU 14 - HB2 SER 85 far 0 72 0 - 6.8-7.4 QD1 ILE 56 - HB3 SER 9 far 0 100 0 - 8.3-11.9 QD1 LEU 64 - HB3 SER 9 far 0 75 0 - 8.5-11.0 QG1 VAL 5 - HB3 SER 9 far 0 96 0 - 8.7-9.5 QG2 VAL 58 - HB2 SER 85 far 0 41 0 - 9.2-10.5 HG13 ILE 56 - HB3 SER 9 far 0 100 0 - 9.8-13.0 QD2 LEU 6 - HB3 SER 9 far 0 87 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 8331 from cnoeabs.peaks (0.61, 3.92, 64.26 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: QD1 ILE 7 + HB3 SER 9 OK 100 100 100 100 5.0-5.7 8325/1.8=81, 3.0/8265=77...(19) QG2 ILE 56 - HB3 SER 9 far 0 97 0 - 6.8-8.4 QD2 LEU 29 - HB3 SER 9 far 0 79 0 - 7.4-9.0 QD1 ILE 7 - HB2 SER 85 far 0 71 0 - 7.7-9.0 Violated in 20 structures by 0.79 A. Peak 8341 from cnoeabs.peaks (6.05, 4.43, 58.24 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.97: HG SER 9 + HA SER 9 OK 97 97 100 100 3.1-3.7 4.1=100 Violated in 0 structures by 0.00 A. Peak 8342 from cnoeabs.peaks (4.62, 2.99, 64.26 ppm; 5.79 A): 2 out of 2 assignments used, quality = 1.00: HA ILE 8 + HB2 SER 9 OK 99 99 100 100 4.6-5.1 6102/6109=98...(16) HA ASP 11 + HB2 SER 9 OK 85 85 100 100 5.4-6.8 ~10388=74, ~8372=65...(17) Violated in 0 structures by 0.00 A. Peak 8343 from cnoeabs.peaks (6.06, 2.99, 64.26 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HG SER 9 + HB2 SER 9 OK 100 100 100 100 2.1-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 8344 from cnoeabs.peaks (4.61, 3.92, 64.26 ppm; 5.22 A): 3 out of 4 assignments used, quality = 1.00: HA ILE 8 + HB3 SER 9 OK 100 100 100 100 4.7-5.4 6102/6110=91...(17) HA THR 84 + HB2 SER 85 OK 36 45 100 79 4.9-6.4 3.0/9833=58, ~9834=39 HA THR 84 + HB3 SER 9 OK 23 73 95 33 5.3-7.1 8425/10409=20...(5) HA ASP 11 - HB3 SER 9 poor 19 96 20 - 5.1-6.8 Violated in 0 structures by 0.00 A. Peak 8345 from cnoeabs.peaks (6.05, 3.92, 64.26 ppm; 3.95 A): 1 out of 2 assignments used, quality = 1.00: HG SER 9 + HB3 SER 9 OK 100 100 100 100 2.1-2.6 2.8=100 HG SER 9 - HB2 SER 85 far 0 71 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 8347 from cnoeabs.peaks (8.79, 4.43, 58.24 ppm; 5.01 A): 2 out of 2 assignments used, quality = 1.00: H ILE 8 + HA SER 9 OK 98 99 100 99 4.9-5.1 6101/2.9=56, ~6102=54...(13) H SER 59 + HA SER 9 OK 93 99 100 94 3.5-4.8 9403=63, 6964/9405=39...(8) Violated in 0 structures by 0.00 A. Peak 8349 from cnoeabs.peaks (8.79, 3.92, 64.26 ppm; 5.31 A): 2 out of 3 assignments used, quality = 1.00: H ILE 8 + HB3 SER 9 OK 100 100 100 100 3.8-5.0 256/8265=76, 4.6/6110=68...(15) H SER 59 + HB3 SER 9 OK 95 100 100 95 3.1-6.1 9403/3.0=60, 9402=47...(11) H ARG 81 - HB3 SER 9 far 0 68 0 - 9.0-11.4 Violated in 0 structures by 0.00 A. Peak 8351 from cnoeabs.peaks (6.00, 2.93, 39.13 ppm; 5.30 A): 0 out of 0 assignments used, quality = 0.00: Peak 8352 from cnoeabs.peaks (4.43, 2.75, 39.13 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: HA SER 9 + HB3 ASN 10 OK 100 100 100 100 4.1-5.7 6114/6119=91...(4) Violated in 13 structures by 0.22 A. Peak 8353 from cnoeabs.peaks (4.60, 2.75, 39.13 ppm; 5.52 A): 1 out of 3 assignments used, quality = 1.00: HA ASP 11 + HB3 ASN 10 OK 100 100 100 100 4.2-5.6 3.0/6139=88, 8355/1.8=78...(12) HA ILE 8 - HB3 ASN 10 far 0 98 0 - 7.5-9.0 HA THR 84 - HB3 ASN 10 far 0 93 0 - 9.2-11.1 Violated in 4 structures by 0.01 A. Peak 8354 from cnoeabs.peaks (4.43, 2.93, 39.13 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.99: HA SER 9 + HB2 ASN 10 OK 99 100 100 99 4.3-5.4 6114/4.0=82, 8352/1.8=74...(4) HB THR 84 - HB2 ASN 10 far 0 99 0 - 9.0-12.0 Violated in 7 structures by 0.07 A. Peak 8355 from cnoeabs.peaks (4.60, 2.93, 39.13 ppm; 5.73 A): 1 out of 3 assignments used, quality = 1.00: HA ASP 11 + HB2 ASN 10 OK 100 100 100 100 4.1-5.0 3.0/6138=90, 8353/1.8=87...(14) HA THR 84 - HB2 ASN 10 far 0 93 0 - 7.9-10.7 HA ILE 8 - HB2 ASN 10 far 0 98 0 - 7.9-8.9 Violated in 0 structures by 0.00 A. Peak 8356 from cnoeabs.peaks (0.76, 4.94, 52.22 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.95: QD1 ILE 15 + HA ASN 10 OK 95 100 100 95 2.9-3.8 8449=76, 8357/3.0=34...(8) HG13 ILE 15 - HA ASN 10 far 10 99 10 - 5.2-6.0 QG2 ILE 7 - HA ASN 10 far 0 68 0 - 5.7-6.2 QG2 ILE 8 - HA ASN 10 far 0 88 0 - 6.2-6.5 Violated in 1 structures by 0.00 A. Peak 8357 from cnoeabs.peaks (0.78, 2.93, 39.13 ppm; 4.99 A): 1 out of 5 assignments used, quality = 0.90: QD1 ILE 15 + HB2 ASN 10 OK 90 93 100 96 4.8-5.6 8356/3.0=79, 8359/1.8=49...(7) QG2 ILE 8 - HB2 ASN 10 far 0 99 0 - 6.6-7.9 QG2 ILE 7 - HB2 ASN 10 far 0 92 0 - 7.5-8.1 HG13 ILE 15 - HB2 ASN 10 far 0 87 0 - 7.6-8.6 QG2 ILE 15 - HB2 ASN 10 far 0 75 0 - 8.0-9.0 Violated in 15 structures by 0.13 A. Peak 8358 from cnoeabs.peaks (2.43, 2.75, 39.13 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.99: HB2 ASP 11 + HB3 ASN 10 OK 99 100 100 100 5.4-5.8 8360/1.8=88, 4.0/6139=75...(5) Violated in 13 structures by 0.10 A. Peak 8359 from cnoeabs.peaks (0.75, 2.75, 39.13 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 15 + HB3 ASN 10 OK 99 100 100 99 4.7-5.7 8356/3.0=92, 8357/1.8=67...(5) QG2 ILE 8 - HB3 ASN 10 lone 2 73 35 9 6.2-8.0 9163/8352=8 HG13 ILE 15 - HB3 ASN 10 far 0 100 0 - 7.6-8.5 QG1 VAL 58 - HB3 ASN 10 far 0 70 0 - 8.9-11.2 Violated in 1 structures by 0.01 A. Peak 8360 from cnoeabs.peaks (2.44, 2.93, 39.13 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.98: HB2 ASP 11 + HB2 ASN 10 OK 98 100 100 98 4.9-5.3 4.0/6138=69, 8358/1.8=67...(6) Violated in 16 structures by 0.12 A. Peak 8362 from cnoeabs.peaks (1.90, 2.43, 40.97 ppm; 4.11 A): 1 out of 6 assignments used, quality = 0.99: HB3 LEU 14 + HB2 ASP 11 OK 99 100 100 99 3.2-4.0 8406=42, 1.8/8363=36...(20) HB3 LYS 13 - HB2 ASP 11 far 0 98 0 - 6.1-6.8 HB2 LYS 13 - HB2 ASP 11 far 0 96 0 - 6.3-6.9 HB3 LYS 12 - HB2 ASP 11 far 0 68 0 - 6.7-7.0 HB2 LYS 12 - HB2 ASP 11 far 0 63 0 - 7.4-7.8 HB ILE 8 - HB2 ASP 11 far 0 100 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 8363 from cnoeabs.peaks (1.52, 2.43, 40.97 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 14 + HB2 ASP 11 OK 100 100 100 100 4.6-5.2 1.8/8362=89, 8431=54...(20) HG3 LYS 13 + HB2 ASP 11 OK 76 84 100 91 4.3-5.2 ~423=29, 8366/1.8=28...(30) HB ILE 7 - HB2 ASP 11 far 0 100 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 8364 from cnoeabs.peaks (0.70, 2.43, 40.97 ppm; 4.35 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 14 + HB2 ASP 11 OK 98 99 100 100 3.0-4.6 3.1/8362=65, 8414/1.8=45...(24) QD1 LEU 14 + HB2 ASP 11 OK 92 92 100 100 4.0-5.4 3.1/8362=65, 8417=43...(22) QG2 VAL 58 - HB2 ASP 11 far 0 90 0 - 8.3-9.9 QG1 VAL 58 - HB2 ASP 11 far 0 88 0 - 9.0-10.3 QD1 ILE 8 - HB2 ASP 11 far 0 98 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 8365 from cnoeabs.peaks (1.90, 2.99, 40.97 ppm; 4.18 A): 3 out of 6 assignments used, quality = 1.00: HB3 LEU 14 + HB3 ASP 11 OK 100 100 100 100 2.0-2.9 8362/1.8=78, 1.8/8366=39...(23) HB3 LYS 13 + HB3 ASP 11 OK 79 94 100 84 4.5-5.5 4.6/8379=32, 3.0/423=27...(12) HB2 LYS 13 + HB3 ASP 11 OK 77 92 100 84 4.6-5.4 4.6/8379=32, 3.0/423=27...(13) HB3 LYS 12 - HB3 ASP 11 far 0 77 0 - 5.8-6.1 HB2 LYS 12 - HB3 ASP 11 far 0 73 0 - 6.6-6.8 HB ILE 8 - HB3 ASP 11 far 0 100 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 8366 from cnoeabs.peaks (1.53, 2.99, 40.97 ppm; 4.70 A): 2 out of 3 assignments used, quality = 0.99: HB2 LEU 14 + HB3 ASP 11 OK 98 99 100 100 3.5-4.0 ~8362=68, 3.8/8379=48...(21) HG3 LYS 13 + HB3 ASP 11 OK 60 65 100 92 2.9-4.2 1.8/423=39, 8363/1.8=34...(12) HB ILE 7 - HB3 ASP 11 far 0 99 0 - 8.5-9.9 Violated in 0 structures by 0.00 A. Peak 8367 from cnoeabs.peaks (0.69, 2.99, 40.97 ppm; 4.45 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 14 + HB3 ASP 11 OK 96 96 100 100 3.8-5.1 ~8362=45, 2.1/8414=44...(25) QD2 LEU 14 + HB3 ASP 11 OK 96 96 100 100 2.6-4.0 8414=46, ~8362=45...(30) QD1 LEU 29 - HB3 ASP 11 far 0 59 0 - 9.0-10.5 QG2 VAL 58 - HB3 ASP 11 far 0 95 0 - 9.4-10.4 QG1 VAL 58 - HB3 ASP 11 far 0 81 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 8368 from cnoeabs.peaks (1.89, 4.60, 53.23 ppm; 4.23 A): 3 out of 5 assignments used, quality = 1.00: HB3 LEU 14 + HA ASP 11 OK 95 96 100 100 4.8-5.3 8362/3.0=58, 8370/3.0=40...(29) HB3 LYS 12 + HA ASP 11 OK 83 92 100 90 4.2-4.7 4.0/369=65, 4.2/8390=35...(8) HB3 LYS 13 + HA ASP 11 OK 72 81 100 89 5.1-5.6 4.0/8390=36, 4.6/8419=29...(26) HB2 LYS 12 - HA ASP 11 far 13 90 15 - 5.3-5.8 HB2 LYS 13 - HA ASP 11 far 0 77 0 - 6.1-6.2 Violated in 0 structures by 0.00 A. Peak 8374 from cnoeabs.peaks (6.06, 2.43, 40.97 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.98: HG SER 9 + HB2 ASP 11 OK 98 100 100 98 2.0-3.9 8372/4.0=73, 8375/1.8=59...(9) Violated in 0 structures by 0.00 A. Peak 8375 from cnoeabs.peaks (6.05, 2.99, 40.97 ppm; 5.81 A): 1 out of 1 assignment used, quality = 0.99: HG SER 9 + HB3 ASP 11 OK 99 99 100 100 3.1-4.8 8374/1.8=94, 8372/4.0=85...(10) Violated in 0 structures by 0.00 A. Peak 8376 from cnoeabs.peaks (8.07, 2.43, 40.97 ppm; 5.22 A): 2 out of 4 assignments used, quality = 1.00: H LYS 13 + HB2 ASP 11 OK 100 100 100 100 4.8-5.2 8390/3.0=77, 6163/4.5=75...(11) H ILE 15 + HB2 ASP 11 OK 100 100 100 100 4.6-5.5 4.4/8362=68...(12) H GLU 17 - HB2 ASP 11 far 0 98 0 - 8.6-9.2 H LYS 90 - HB2 ASP 11 far 0 79 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 8377 from cnoeabs.peaks (7.54, 2.43, 40.97 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.98: H LEU 14 + HB2 ASP 11 OK 98 98 100 100 3.9-4.3 8379/1.8=82, 3.8/8362=77...(15) H GLU 88 - HB2 ASP 11 far 0 73 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 8378 from cnoeabs.peaks (8.07, 2.99, 40.97 ppm; 5.99 A): 3 out of 4 assignments used, quality = 1.00: H LYS 13 + HB3 ASP 11 OK 100 100 100 100 3.3-4.0 8390/3.0=91, 6163/4.5=89...(17) H ILE 15 + HB3 ASP 11 OK 100 100 100 100 3.4-4.3 6209/8379=77, 8461=51...(15) H GLU 17 + HB3 ASP 11 OK 32 100 90 36 7.1-7.5 6247/8451=14...(5) H LYS 90 - HB3 ASP 11 far 0 87 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 8379 from cnoeabs.peaks (7.54, 2.99, 40.97 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.98: H LEU 14 + HB3 ASP 11 OK 98 98 100 100 2.3-2.6 8377/1.8=81, 8419/3.0=58...(23) H GLU 88 - HB3 ASP 11 far 0 73 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 8381 from cnoeabs.peaks (0.76, 3.85, 59.58 ppm; 3.18 A): 4 out of 12 assignments used, quality = 1.00: QD1 ILE 15 + HA LYS 12 OK 99 100 100 99 1.8-2.4 8446=73, 3.2/644=40...(31) HG13 ILE 15 + HA LYS 12 OK 96 99 100 97 4.0-4.5 2.1/8446=55, 2.9/644=44...(22) QG2 ILE 93 + HA LYS 94 OK 60 64 100 92 2.8-3.4 12249=33, ~7507=22...(27) QD1 LEU 27 + HA LYS 94 OK 38 69 95 58 3.5-5.0 8642/4349=15...(12) QD2 LEU 27 - HA LYS 94 far 0 41 0 - 5.0-6.6 QG2 ILE 7 - HA LYS 12 far 0 68 0 - 5.2-5.6 QD1 ILE 93 - HA LYS 94 far 0 68 0 - 5.8-5.9 HG13 ILE 93 - HA LYS 94 far 0 58 0 - 6.0-6.5 QG1 VAL 5 - HA LYS 94 far 0 37 0 - 6.4-7.8 QD2 LEU 57 - HA LYS 94 far 0 43 0 - 8.0-8.6 QG2 ILE 8 - HA LYS 12 far 0 88 0 - 8.9-9.6 QD1 ILE 93 - HA LYS 12 far 0 100 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 8385 from cnoeabs.peaks (0.86, 4.15, 58.53 ppm; 5.35 A): 0 out of 6 assignments used, quality = 0.00: QG2 ILE 76 - HA GLN 72 poor 19 51 45 82 6.5-7.4 4.0/9650=68, 3430/5.0=19...(7) QD2 LEU 103 - HA GLN 72 far 0 47 0 - 7.1-18.0 QD1 LEU 103 - HA GLN 72 far 0 68 0 - 7.2-18.5 QD1 LEU 38 - HA GLN 72 far 0 69 0 - 7.6-11.0 HG13 ILE 7 - HA LYS 13 far 0 63 0 - 8.7-10.9 QD2 LEU 38 - HA GLN 72 far 0 41 0 - 8.8-11.9 Violated in 20 structures by 0.99 A. Peak 8386 from cnoeabs.peaks (0.71, 4.15, 58.53 ppm; 4.57 A): 3 out of 9 assignments used, quality = 0.80: QG2 VAL 78 + HA GLN 72 OK 57 68 100 83 4.9-5.5 9558/3.0=28, ~10847=27...(11) QG1 VAL 78 + HA GLN 72 OK 36 45 100 79 4.6-5.9 10290/5.0=24...(10) QD2 LEU 14 + HA LYS 13 OK 29 100 30 97 6.0-6.6 626/3.6=64, 4.0/8391=45...(14) QD1 LEU 42 - HA GLN 72 poor 13 52 25 - 5.8-6.9 QD1 LEU 14 - HA LYS 13 far 0 63 0 - 6.9-7.1 QD1 ILE 56 - HA GLN 72 far 0 68 0 - 7.8-10.5 QD1 ILE 52 - HA GLN 72 far 0 59 0 - 8.8-12.0 HG13 ILE 56 - HA GLN 72 far 0 70 0 - 9.4-12.3 QD1 LEU 64 - HA GLN 72 far 0 51 0 - 9.6-11.1 Violated in 7 structures by 0.05 A. Peak 8387 from cnoeabs.peaks (0.68, 1.91, 31.45 ppm; 5.35 A): 3 out of 4 assignments used, quality = 1.00: QD1 LEU 14 + HB2 LYS 13 OK 94 100 100 94 6.2-6.4 6201/4.6=39, 4.0/586=31...(20) QD2 LEU 14 + HB2 LYS 13 OK 83 87 100 96 6.1-6.6 626/4.6=55, 12015/3.0=32...(18) QD2 LEU 14 + HB3 LYS 13 OK 79 87 95 95 6.6-6.9 626/4.6=55, 12015/3.0=32...(17) QD1 LEU 14 - HB3 LYS 13 far 0 100 0 - 7.2-7.3 Violated in 3 structures by 0.01 A. Peak 8391 from cnoeabs.peaks (3.67, 4.15, 58.53 ppm; 5.25 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 14 + HA LYS 13 OK 99 99 100 100 4.7-4.8 8389/2.9=68, ~6182=57...(21) HA LEU 42 - HA GLN 72 far 0 47 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 8392 from cnoeabs.peaks (3.87, 4.15, 58.53 ppm; 4.39 A): 2 out of 5 assignments used, quality = 0.98: HA LYS 12 + HA LYS 13 OK 95 99 100 97 4.8-4.9 6186/3.6=41, 390/2.9=39...(15) HA ALA 71 + HA GLN 72 OK 59 59 100 100 4.7-4.8 ~7170=50, 9579/3.6=49...(20) HA ALA 67 - HA GLN 72 far 0 66 0 - 8.8-9.6 HB3 SER 49 - HA GLN 72 far 0 68 0 - 9.4-17.2 HB2 SER 85 - HA LYS 13 far 0 63 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 8393 from cnoeabs.peaks (3.66, 1.92, 31.45 ppm; 5.47 A): 2 out of 2 assignments used, quality = 0.99: HA LEU 14 + HB2 LYS 13 OK 91 91 100 100 4.1-4.4 8391/3.0=70, 8389/4.0=61...(33) HA LEU 14 + HB3 LYS 13 OK 91 91 100 100 5.6-5.6 8391/3.0=70, 8389/4.0=61...(27) Violated in 0 structures by 0.00 A. Peak 8395 from cnoeabs.peaks (8.66, 3.68, 59.00 ppm; 5.17 A): 1 out of 4 assignments used, quality = 1.00: H ALA 18 + HA LEU 14 OK 100 100 100 100 3.6-4.3 6269/593=61, 6262=55...(21) H ASP 11 - HA LEU 14 far 0 98 0 - 7.2-7.5 H ASN 10 - HA LEU 14 far 0 92 0 - 9.3-9.7 H ALA 18 - HA GLU 88 far 0 55 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 8396 from cnoeabs.peaks (8.68, 1.90, 41.23 ppm; 5.27 A): 3 out of 3 assignments used, quality = 1.00: H ASP 11 + HB3 LEU 14 OK 100 100 100 100 4.4-4.8 4.0/8362=74, 8370=64...(17) H ALA 18 + HB3 LEU 14 OK 91 91 100 100 5.7-6.2 8395/3.0=64, 8398/3.1=38...(23) H ASN 10 + HB3 LEU 14 OK 51 68 90 84 6.4-6.9 4.6/8370=42, 370/8362=30...(10) Violated in 0 structures by 0.00 A. Peak 8397 from cnoeabs.peaks (8.68, 1.52, 41.23 ppm; 5.46 A): 3 out of 6 assignments used, quality = 1.00: H ASP 11 + HB2 LEU 14 OK 100 100 100 100 6.0-6.4 8370/1.8=63...(14) H ALA 18 + HB2 LEU 14 OK 91 91 100 100 5.4-6.2 8395/3.0=68, 8398/3.1=40...(22) H ALA 18 + HB ILE 7 OK 78 78 100 100 5.7-6.7 ~8283=54, 10378/3.2=52...(21) H ASN 10 - HB2 LEU 14 far 0 68 0 - 7.9-8.4 H ASP 11 - HB ILE 7 far 0 91 0 - 8.4-9.1 H ASN 10 - HB ILE 7 far 0 56 0 - 9.3-9.6 Violated in 0 structures by 0.00 A. Peak 8398 from cnoeabs.peaks (8.68, 0.68, 25.64 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.99: H ASP 11 + QD1 LEU 14 OK 94 100 95 99 5.1-6.2 8372/8403=55...(16) H ALA 18 + QD1 LEU 14 OK 90 91 100 99 4.5-5.9 8395/4.0=43...(25) H ASN 10 - QD1 LEU 14 far 3 68 5 - 6.1-7.3 Violated in 19 structures by 0.14 A. Peak 8399 from cnoeabs.peaks (9.19, 0.68, 25.64 ppm; 5.60 A): 1 out of 4 assignments used, quality = 0.97: H THR 84 + QD1 LEU 14 OK 97 97 100 100 4.0-5.1 9830=94, 3.0/8425=88...(15) H ILE 56 - QD1 LEU 42 far 0 96 0 - 7.1-8.3 H GLU 35 - QD1 LEU 42 far 0 93 0 - 7.4-8.9 H ILE 56 - QD1 LEU 14 far 0 100 0 - 9.0-9.7 Violated in 0 structures by 0.00 A. Peak 8400 from cnoeabs.peaks (8.68, 0.71, 24.35 ppm; 4.27 A): 3 out of 4 assignments used, quality = 1.00: H ASP 11 + QD2 LEU 14 OK 99 100 100 99 3.6-4.0 8369=45, 8370/3.1=40...(20) H ALA 18 + QD2 LEU 14 OK 90 91 100 100 4.3-5.3 2.9/12013=52...(28) H ASN 10 + QD2 LEU 14 OK 60 68 100 89 4.8-5.3 4.6/6107=30, 3.6/8317=29...(15) H ALA 18 - QD2 LEU 6 far 0 60 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 8401 from cnoeabs.peaks (6.04, 0.71, 24.35 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.89: HG SER 9 + QD2 LEU 14 OK 89 90 100 100 2.6-3.7 8403/2.1=66, 2.8/8324=51...(22) Violated in 0 structures by 0.00 A. Peak 8402 from cnoeabs.peaks (7.43, 0.68, 25.64 ppm; 4.46 A): 1 out of 4 assignments used, quality = 1.00: H ALA 89 + QD1 LEU 14 OK 100 100 100 100 2.8-3.4 9854/8411=59...(25) HE3 TRP 92 - QD1 LEU 14 far 0 100 0 - 6.5-7.2 HE22 GLN 72 - QD1 LEU 42 far 0 92 0 - 7.2-9.2 HE ARG 19 - QD1 LEU 14 far 0 87 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 8403 from cnoeabs.peaks (6.06, 0.68, 25.64 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.99: HG SER 9 + QD1 LEU 14 OK 99 100 100 99 3.5-4.4 8401/2.1=59...(18) Violated in 0 structures by 0.00 A. Peak 8404 from cnoeabs.peaks (7.43, 1.35, 28.11 ppm; 5.77 A): 1 out of 4 assignments used, quality = 0.99: H ALA 89 + HG LEU 14 OK 99 99 100 100 4.2-5.8 8402/2.1=97...(24) H ARG 91 - HG LEU 14 poor 14 63 60 36 6.6-8.3 4.6/7415=20...(5) HE ARG 19 - HG LEU 14 far 0 93 0 - 8.7-11.9 HE3 TRP 92 - HG LEU 14 far 0 100 0 - 8.8-10.2 Violated in 1 structures by 0.00 A. Peak 8405 from cnoeabs.peaks (2.98, 1.90, 41.23 ppm; 4.45 A): 4 out of 7 assignments used, quality = 1.00: HB2 SER 9 + HB3 LEU 14 OK 98 98 100 100 3.6-5.6 8324/3.1=42, ~8403=31...(29) HB3 ASP 11 + HB3 LEU 14 OK 96 96 100 100 2.0-2.9 1.8/8362=86, 8366/1.8=42...(23) HE2 LYS 13 + HB3 LEU 14 OK 73 93 95 83 5.1-6.2 6196/602=16, 3.8/520=13...(25) HE3 LYS 13 + HB3 LEU 14 OK 65 91 85 84 5.4-7.2 6196/602=16, 3.8/520=13...(30) HE2 LYS 12 - HB3 LEU 14 far 0 81 0 - 7.9-10.4 HE3 LYS 12 - HB3 LEU 14 far 0 97 0 - 8.9-10.6 HG2 MET 21 - HB3 LEU 14 far 0 59 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 8406 from cnoeabs.peaks (2.43, 1.90, 41.23 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: HB2 ASP 11 + HB3 LEU 14 OK 100 100 100 100 3.2-4.0 8362=100, 8377/3.8=47...(21) HG3 GLU 17 + HB3 LEU 14 OK 64 100 65 98 5.2-6.7 8478/3.0=43, ~8477=42...(23) HB3 MET 21 - HB3 LEU 14 far 0 70 0 - 10.0-11.1 Violated in 0 structures by 0.00 A. Peak 8407 from cnoeabs.peaks (4.09, 1.35, 28.11 ppm; 3.84 A): 1 out of 2 assignments used, quality = 1.00: HA PRO 86 + HG LEU 14 OK 100 100 100 100 2.4-3.3 8411/2.1=77, 8412/2.1=57...(25) HA GLU 17 - HG LEU 14 far 0 61 0 - 6.6-7.3 Violated in 0 structures by 0.00 A. Peak 8408 from cnoeabs.peaks (3.97, 1.35, 28.11 ppm; 5.56 A): 2 out of 2 assignments used, quality = 1.00: HD3 PRO 86 + HG LEU 14 OK 100 100 100 100 5.5-5.9 12018/2.1=90...(30) HD2 PRO 86 + HG LEU 14 OK 99 99 100 100 6.4-6.8 3.6/8407=88, ~12018=74...(30) Violated in 0 structures by 0.00 A. Peak 8409 from cnoeabs.peaks (3.27, 1.35, 28.11 ppm; 5.62 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 15 + HG LEU 14 OK 99 99 100 100 3.0-4.0 8413/2.1=96, ~6211=59...(30) Violated in 0 structures by 0.00 A. Peak 8410 from cnoeabs.peaks (3.00, 1.35, 28.11 ppm; 5.22 A): 2 out of 5 assignments used, quality = 1.00: HB3 ASP 11 + HG LEU 14 OK 100 100 100 100 4.8-5.9 ~8362=63, 8379/6200=53...(21) HB2 SER 9 + HG LEU 14 OK 100 100 100 100 4.5-6.1 8324/2.1=58, ~8403=54...(21) HE3 LYS 13 - HG LEU 14 far 0 63 0 - 6.9-9.5 HE2 LYS 13 - HG LEU 14 far 0 68 0 - 7.0-8.5 HE2 LYS 12 - HG LEU 14 far 0 98 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 8411 from cnoeabs.peaks (4.09, 0.68, 25.64 ppm; 3.49 A): 1 out of 5 assignments used, quality = 1.00: HA PRO 86 + QD1 LEU 14 OK 100 100 100 100 1.7-2.7 8407/2.1=58, 9881=47...(30) HA LYS 66 - QD1 LEU 42 far 0 92 0 - 6.6-8.1 HA GLU 17 - QD1 LEU 14 far 0 61 0 - 6.6-7.8 HA ARG 46 - QD1 LEU 42 far 0 89 0 - 6.9-8.1 HB2 SER 49 - QD1 LEU 42 far 0 65 0 - 9.4-13.2 Violated in 0 structures by 0.00 A. Peak 8412 from cnoeabs.peaks (4.10, 0.71, 24.35 ppm; 4.38 A): 1 out of 3 assignments used, quality = 1.00: HA PRO 86 + QD2 LEU 14 OK 100 100 100 100 3.8-4.2 8411/2.1=91, 8407/2.1=84...(28) HA ARG 46 - QD2 LEU 6 far 0 59 0 - 9.1-10.8 HA LYS 66 - QD2 LEU 6 far 0 63 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 8413 from cnoeabs.peaks (3.26, 0.71, 24.35 ppm; 4.08 A): 1 out of 2 assignments used, quality = 1.00: HA ILE 15 + QD2 LEU 14 OK 100 100 100 100 2.1-3.4 12020=59, 643/12013=43...(36) HA ILE 15 - QD2 LEU 6 far 0 72 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 8414 from cnoeabs.peaks (2.99, 0.71, 24.35 ppm; 3.67 A): 2 out of 13 assignments used, quality = 1.00: HB2 SER 9 + QD2 LEU 14 OK 99 100 100 100 1.8-3.2 8324=55, 2.8/8401=37...(34) HB3 ASP 11 + QD2 LEU 14 OK 98 99 100 99 2.6-4.0 ~8362=30, 1.8/8364=28...(28) HB3 PHE 45 - QD2 LEU 6 far 0 62 0 - 6.0-7.5 HB2 PHE 45 - QD2 LEU 6 far 0 72 0 - 6.1-7.7 HE2 LYS 13 - QD2 LEU 14 far 0 84 0 - 6.3-7.2 HE2 LYS 12 - QD2 LEU 14 far 0 91 0 - 6.4-8.8 HE3 LYS 13 - QD2 LEU 14 far 0 81 0 - 6.6-8.0 HE3 LYS 12 - QD2 LEU 14 far 0 91 0 - 7.0-9.5 HE2 LYS 33 - QD2 LEU 6 far 0 43 0 - 7.1-11.0 HE3 LYS 33 - QD2 LEU 6 far 0 43 0 - 7.2-11.0 HE2 LYS 33 - QD2 LEU 14 far 0 70 0 - 8.0-10.5 HE3 LYS 33 - QD2 LEU 14 far 0 70 0 - 8.0-10.6 HB2 SER 9 - QD2 LEU 6 far 0 72 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 8415 from cnoeabs.peaks (2.43, 0.71, 24.35 ppm; 4.62 A): 3 out of 8 assignments used, quality = 1.00: HB2 ASP 11 + QD2 LEU 14 OK 100 100 100 100 3.0-4.6 8362/3.1=72, 8364=51...(24) HG3 GLU 17 + QD2 LEU 14 OK 61 100 65 94 5.5-6.8 8478/4.0=36, 8417/2.1=28...(20) HB3 TYR 4 + QD2 LEU 6 OK 53 55 100 97 3.1-4.9 2.5/8209=41, ~8213=39...(24) HB3 MET 21 - QD2 LEU 14 far 0 70 0 - 7.5-9.2 HG3 MET 21 - QD2 LEU 14 far 0 71 0 - 8.2-9.8 HG3 GLU 48 - QD2 LEU 6 far 0 72 0 - 8.6-11.7 HG3 MET 21 - QD2 LEU 6 far 0 44 0 - 9.1-13.5 HB3 MET 21 - QD2 LEU 6 far 0 43 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 8416 from cnoeabs.peaks (2.98, 0.68, 25.64 ppm; 4.18 A): 3 out of 13 assignments used, quality = 1.00: HB2 SER 9 + QD1 LEU 14 OK 99 100 100 99 3.6-4.3 2.8/8403=53, 8324/2.1=48...(25) HB3 ASP 11 + QD1 LEU 14 OK 99 99 100 100 3.8-5.1 8414/2.1=41, ~8362=40...(23) HE2 LYS 13 + QD1 LEU 14 OK 38 87 55 79 5.3-6.8 2.9/10404=12...(34) HB3 PHE 45 - QD1 LEU 42 far 4 89 5 - 5.6-7.9 HE2 LYS 73 - QD1 LEU 42 far 3 65 5 - 5.7-10.0 HB2 PHE 45 - QD1 LEU 42 far 0 97 0 - 5.7-7.8 HE3 LYS 13 - QD1 LEU 14 far 0 84 0 - 6.0-8.0 HE3 LYS 73 - QD1 LEU 42 far 0 56 0 - 6.4-9.6 HE2 LYS 12 - QD1 LEU 14 far 0 88 0 - 8.8-11.0 HE3 LYS 12 - QD1 LEU 14 far 0 93 0 - 9.5-11.3 HE2 LYS 33 - QD1 LEU 42 far 0 60 0 - 9.7-13.4 HE3 LYS 33 - QD1 LEU 42 far 0 60 0 - 9.8-13.4 HE3 LYS 47 - QD1 LEU 42 far 0 94 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 8417 from cnoeabs.peaks (2.43, 0.68, 25.64 ppm; 4.71 A): 2 out of 7 assignments used, quality = 1.00: HB2 ASP 11 + QD1 LEU 14 OK 100 100 100 100 4.0-5.4 8362/3.1=73...(22) HG3 GLU 17 + QD1 LEU 14 OK 62 100 65 95 4.8-7.2 8478/4.0=37, 8431/3.1=28...(19) HG2 GLN 72 - QD1 LEU 42 far 10 96 10 - 5.4-7.4 HB3 MET 21 - QD1 LEU 14 far 0 79 0 - 6.9-8.2 HG3 MET 21 - QD1 LEU 14 far 0 81 0 - 7.3-9.3 HB3 TYR 4 - QD1 LEU 42 far 0 71 0 - 7.7-9.0 HG3 GLU 48 - QD1 LEU 42 far 0 97 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 8420 from cnoeabs.peaks (4.11, 1.90, 41.23 ppm; 6.23 A): 1 out of 1 assignment used, quality = 0.96: HA PRO 86 + HB3 LEU 14 OK 96 96 100 100 3.5-4.4 8422/3.0=97, 8412/3.1=93...(29) Violated in 0 structures by 0.00 A. Peak 8421 from cnoeabs.peaks (4.61, 1.90, 41.23 ppm; 6.19 A): 2 out of 3 assignments used, quality = 1.00: HA ASP 11 + HB3 LEU 14 OK 99 99 100 100 4.8-5.3 3.0/8362=98, 8419/602=73...(29) HA THR 84 + HB3 LEU 14 OK 82 82 100 99 6.3-7.5 8425/3.1=87, ~9830=58...(7) HA ILE 8 - HB3 LEU 14 far 0 100 0 - 8.3-9.2 Violated in 0 structures by 0.00 A. Peak 8422 from cnoeabs.peaks (4.10, 3.68, 59.00 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.98: HA PRO 86 + HA LEU 14 OK 98 99 100 100 2.0-3.2 9885=91, 8411/4.0=56...(29) HA PRO 86 - HA GLU 88 far 0 52 0 - 6.6-6.8 HA GLU 104 - HA GLU 88 far 0 41 0 - 7.7-16.1 Violated in 0 structures by 0.00 A. Peak 8424 from cnoeabs.peaks (5.13, 0.68, 25.64 ppm; 4.26 A): 2 out of 7 assignments used, quality = 1.00: HA SER 85 + QD1 LEU 14 OK 100 100 100 100 3.2-3.6 3.0/10413=63, 9867=53...(21) HA ILE 7 + QD1 LEU 14 OK 75 100 100 75 5.4-5.7 237/12014=17...(14) HA VAL 54 - QD1 LEU 42 far 0 76 0 - 6.9-8.7 HA VAL 5 - QD1 LEU 42 far 0 77 0 - 8.1-9.5 HA ILE 7 - QD1 LEU 42 far 0 97 0 - 9.0-10.3 HA VAL 5 - QD1 LEU 14 far 0 84 0 - 9.5-10.2 HA TYR 4 - QD1 LEU 42 far 0 94 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 8425 from cnoeabs.peaks (4.59, 0.68, 25.64 ppm; 4.46 A): 1 out of 6 assignments used, quality = 0.97: HA THR 84 + QD1 LEU 14 OK 97 98 100 99 4.0-5.0 3.6/10413=60...(11) HA ASP 11 - QD1 LEU 14 far 0 100 0 - 6.1-7.2 HA ILE 8 - QD1 LEU 14 far 0 92 0 - 6.9-7.3 HA ASP 77 - QD1 LEU 42 far 0 83 0 - 7.2-8.8 HB THR 34 - QD1 LEU 42 far 0 96 0 - 9.2-10.4 HA ILE 8 - QD1 LEU 42 far 0 86 0 - 9.2-10.7 Violated in 9 structures by 0.14 A. Peak 8426 from cnoeabs.peaks (4.59, 0.71, 24.35 ppm; 5.39 A): 3 out of 5 assignments used, quality = 1.00: HA ASP 11 + QD2 LEU 14 OK 100 100 100 100 4.7-5.5 8419/626=53, ~8362=49...(32) HA THR 84 + QD2 LEU 14 OK 98 98 100 100 5.3-6.3 8425/2.1=94...(9) HA ILE 8 + QD2 LEU 14 OK 79 92 100 86 5.2-5.7 6102/6107=57, 287=24...(10) HA ILE 8 - QD2 LEU 6 far 3 61 5 - 6.6-7.5 HA ASP 77 - QD2 LEU 6 far 0 59 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8427 from cnoeabs.peaks (5.13, 0.71, 24.35 ppm; 4.96 A): 6 out of 8 assignments used, quality = 1.00: HA SER 85 + QD2 LEU 14 OK 99 99 100 100 4.9-5.8 3.8/12018=62...(20) HA ILE 7 + QD2 LEU 14 OK 96 100 100 96 4.1-4.8 8424/2.1=38...(15) HA ILE 7 + QD2 LEU 6 OK 71 72 100 99 5.6-5.7 ~6074=42, 8220/3.1=37...(19) HA VAL 5 + QD2 LEU 6 OK 59 60 100 99 3.3-5.2 6059/4.6=67, 8220/3.1=35...(25) HA TYR 4 + QD2 LEU 6 OK 55 65 95 88 4.6-6.9 3.7/8209=36, 3.0/8230=20...(15) HA VAL 54 + QD2 LEU 6 OK 39 46 100 86 4.4-5.6 ~10209=28, ~10207=21...(15) HA LEU 3 - QD2 LEU 6 far 0 72 0 - 7.5-9.1 HA VAL 5 - QD2 LEU 14 far 0 91 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 8428 from cnoeabs.peaks (2.45, 3.68, 59.00 ppm; 5.36 A): 3 out of 5 assignments used, quality = 0.99: HB2 ASP 11 + HA LEU 14 OK 91 91 100 100 6.0-6.6 8362/3.0=77, 8377/3.0=61...(19) HG3 GLU 17 + HA LEU 14 OK 87 87 100 100 2.4-4.2 1.8/8477=87, 3.0/593=70...(22) HD2 ARG 91 + HA GLU 88 OK 32 33 100 99 4.1-6.6 3.5/4024=68, 1.8/9960=50...(18) HD2 ARG 91 - HA LEU 14 far 0 71 0 - 9.2-11.1 HG3 GLU 17 - HA GLU 88 far 0 42 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 8429 from cnoeabs.peaks (0.80, 1.90, 41.23 ppm; 5.39 A): 3 out of 8 assignments used, quality = 1.00: QG2 ILE 7 + HB3 LEU 14 OK 100 100 100 100 5.2-5.8 ~11079=47, 6218/4.4=37...(31) QG2 ILE 15 + HB3 LEU 14 OK 98 98 100 100 5.8-6.0 4.0/6212=59, ~8413=47...(20) QD1 ILE 15 + HB3 LEU 14 OK 60 61 100 98 3.3-4.2 5.0/6212=49, 2.1/8465=32...(23) QD1 LEU 57 - HB3 LEU 14 far 0 77 0 - 7.1-9.4 QD1 ILE 93 - HB3 LEU 14 far 0 81 0 - 7.3-8.5 QD2 LEU 57 - HB3 LEU 14 far 0 100 0 - 8.1-9.1 QG2 ILE 8 - HB3 LEU 14 far 0 99 0 - 8.6-9.2 QG2 VAL 32 - HB3 LEU 14 far 0 70 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 8430 from cnoeabs.peaks (1.73, 1.90, 41.23 ppm; 4.79 A): 6 out of 10 assignments used, quality = 1.00: HB ILE 15 + HB3 LEU 14 OK 99 100 100 99 4.9-5.2 4.0/6212=51, 8440/602=43...(26) HD3 LYS 13 + HB3 LEU 14 OK 83 87 100 96 3.1-5.8 6.0/609=19, ~12015=18...(44) HD2 LYS 13 + HB3 LEU 14 OK 80 84 100 96 2.9-6.1 6.0/609=19, ~12015=18...(43) HG2 PRO 86 + HB3 LEU 14 OK 69 70 100 100 5.3-5.8 ~12221=55, ~9890=43...(32) HG12 ILE 15 + HB3 LEU 14 OK 67 71 100 94 4.1-4.7 4.6/6212=44, 1.8/8465=27...(21) HD2 LYS 90 + HB3 LEU 14 OK 22 98 40 57 5.7-10.2 3969/3.0=16, ~3958=13...(10) HD3 LYS 90 - HB3 LEU 14 far 0 77 0 - 7.1-10.1 HD2 LYS 12 - HB3 LEU 14 far 0 84 0 - 7.2-8.7 HD3 LYS 12 - HB3 LEU 14 far 0 84 0 - 8.1-9.7 HG3 ARG 19 - HB3 LEU 14 far 0 70 0 - 8.5-11.6 Violated in 0 structures by 0.00 A. Peak 8431 from cnoeabs.peaks (2.43, 1.52, 41.23 ppm; 4.68 A): 2 out of 9 assignments used, quality = 1.00: HB2 ASP 11 + HB2 LEU 14 OK 100 100 100 100 4.6-5.2 8362/1.8=91, 8363=57...(20) HG3 GLU 17 + HB2 LEU 14 OK 79 100 80 98 4.5-6.3 8478/3.0=43, ~8477=42...(24) HB3 MET 21 - HB ILE 7 far 0 63 0 - 7.4-10.2 HG3 MET 21 - HB ILE 7 far 0 64 0 - 8.9-11.7 HG3 MET 21 - HB2 LEU 14 far 0 77 0 - 9.0-11.0 HB2 ASP 11 - HB ILE 7 far 0 91 0 - 9.0-10.5 HB3 MET 21 - HB2 LEU 14 far 0 75 0 - 9.2-10.0 HG3 GLU 17 - HB ILE 7 far 0 91 0 - 9.4-10.5 HB3 TYR 4 - HB ILE 7 far 0 68 0 - 9.5-9.9 Violated in 0 structures by 0.00 A. Peak 8432 from cnoeabs.peaks (3.00, 1.52, 41.23 ppm; 4.38 A): 4 out of 11 assignments used, quality = 1.00: HB3 ASP 11 + HB2 LEU 14 OK 100 100 100 100 3.5-4.0 ~8362=61, 8366=49...(21) HB2 SER 9 + HB2 LEU 14 OK 84 100 85 99 4.9-6.7 8324/3.1=42...(21) HE2 LYS 13 + HB2 LEU 14 OK 47 63 90 82 4.4-6.0 12269/594=16, 3.8/245=15...(32) HE3 LYS 13 + HB2 LEU 14 OK 41 59 85 82 4.7-7.1 3.8/245=15, 8405/1.8=13...(33) HB2 SER 9 - HB ILE 7 far 0 90 0 - 6.1-6.5 HE2 LYS 33 - HB ILE 7 far 0 75 0 - 7.3-11.0 HB3 ASP 11 - HB ILE 7 far 0 91 0 - 8.5-9.9 HE3 LYS 33 - HB ILE 7 far 0 75 0 - 8.7-11.5 HE3 LYS 12 - HB ILE 7 far 0 61 0 - 9.4-13.6 HE2 LYS 12 - HB ILE 7 far 0 88 0 - 9.6-12.6 HE2 LYS 12 - HB2 LEU 14 far 0 99 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 8433 from cnoeabs.peaks (7.43, 0.71, 24.35 ppm; 6.14 A): 1 out of 7 assignments used, quality = 0.99: H ALA 89 + QD2 LEU 14 OK 99 99 100 100 5.3-5.8 8402/2.1=99...(23) H ARG 91 - QD2 LEU 14 poor 17 68 25 - 7.4-8.3 HE ARG 19 - QD2 LEU 14 far 9 95 10 - 6.7-10.1 HE ARG 19 - QD2 LEU 6 lone 1 64 50 4 5.9-9.9 11046/8717=2 HE3 TRP 92 - QD2 LEU 14 far 0 100 0 - 7.9-8.6 H LYS 47 - QD2 LEU 6 far 0 39 0 - 9.5-11.1 HE3 TRP 92 - QD2 LEU 6 far 0 72 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 8434 from cnoeabs.peaks (8.90, 3.26, 65.94 ppm; 4.96 A): 1 out of 2 assignments used, quality = 1.00: H ARG 19 + HA ILE 15 OK 100 100 100 100 3.9-4.5 6277=100, 6283/643=89...(20) H LEU 57 - HA ILE 15 far 0 71 0 - 7.3-8.3 Violated in 0 structures by 0.00 A. Peak 8435 from cnoeabs.peaks (8.67, 0.75, 29.43 ppm; 6.15 A): 3 out of 3 assignments used, quality = 1.00: H ALA 18 + HG13 ILE 15 OK 98 99 100 99 6.7-7.1 6263/670=87, 6242/676=68...(13) H ASP 11 + HG13 ILE 15 OK 94 100 100 94 5.2-6.0 8439/2.1=53...(12) H ASN 10 + HG13 ILE 15 OK 85 85 100 100 6.0-7.0 ~8356=80, ~8449=77...(10) Violated in 0 structures by 0.00 A. Peak 8436 from cnoeabs.peaks (7.79, 0.76, 13.00 ppm; 4.74 A): 1 out of 3 assignments used, quality = 0.93: H SER 9 + QD1 ILE 15 OK 93 94 100 99 2.9-3.4 8314/8467=58...(18) H LYS 20 - QD1 ILE 15 far 0 100 0 - 8.5-9.0 HE ARG 30 - QD1 ILE 15 far 0 100 0 - 8.5-12.5 Violated in 0 structures by 0.00 A. Peak 8437 from cnoeabs.peaks (7.56, 0.76, 13.00 ppm; 5.73 A): 1 out of 2 assignments used, quality = 1.00: H LEU 14 + QD1 ILE 15 OK 100 100 100 100 3.5-4.3 6182/8383=79...(22) H GLU 88 - QD1 ILE 15 far 0 98 0 - 9.9-10.5 Violated in 0 structures by 0.00 A. Peak 8438 from cnoeabs.peaks (8.56, 0.76, 13.00 ppm; 5.40 A): 1 out of 2 assignments used, quality = 1.00: H LYS 12 + QD1 ILE 15 OK 100 100 100 100 3.0-3.3 8380=100, 2.9/8446=96...(32) H VAL 58 - QD1 ILE 15 far 0 95 0 - 8.2-9.0 Violated in 0 structures by 0.00 A. Peak 8439 from cnoeabs.peaks (8.67, 0.76, 13.00 ppm; 4.71 A): 2 out of 3 assignments used, quality = 1.00: H ASP 11 + QD1 ILE 15 OK 100 100 100 100 2.5-3.1 3.6/8356=73...(20) H ASN 10 + QD1 ILE 15 OK 85 85 100 100 3.6-4.5 3.0/8356=81, 4.6/8436=47...(18) H ALA 18 - QD1 ILE 15 far 10 99 10 - 6.0-6.5 Violated in 0 structures by 0.00 A. Peak 8440 from cnoeabs.peaks (7.56, 1.73, 37.98 ppm; 5.92 A): 1 out of 1 assignment used, quality = 1.00: H LEU 14 + HB ILE 15 OK 100 100 100 100 4.6-4.9 6209/4.0=94, 6204/652=90...(17) Violated in 0 structures by 0.00 A. Peak 8441 from cnoeabs.peaks (7.56, 3.26, 65.94 ppm; 5.94 A): 1 out of 2 assignments used, quality = 1.00: H LEU 14 + HA ILE 15 OK 100 100 100 100 5.2-5.3 6209/3.0=99, 6204/3.6=91...(19) H GLU 88 - HA ILE 15 far 0 98 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 8442 from cnoeabs.peaks (6.05, 0.76, 13.00 ppm; 5.81 A): 1 out of 1 assignment used, quality = 1.00: HG SER 9 + QD1 ILE 15 OK 100 100 100 100 3.0-4.5 2.8/10417=84...(21) Violated in 0 structures by 0.00 A. Peak 8443 from cnoeabs.peaks (6.11, 0.81, 17.32 ppm; 6.16 A): 0 out of 1 assignment used, quality = 0.00: HZ PHE 45 - QG2 ILE 15 far 0 71 0 - 9.8-11.3 Violated in 20 structures by 4.39 A. Peak 8444 from cnoeabs.peaks (2.99, 0.75, 29.43 ppm; 4.74 A): 1 out of 6 assignments used, quality = 1.00: HB2 SER 9 + HG13 ILE 15 OK 100 100 100 100 3.7-5.7 ~10417=51, 8322/10118=49...(24) HB3 ASP 11 - HG13 ILE 15 far 10 100 10 - 6.0-7.1 HE2 LYS 12 - HG13 ILE 15 far 9 94 10 - 5.1-8.7 HE3 LYS 33 - HG13 ILE 15 far 8 75 10 - 6.0-9.0 HE2 LYS 33 - HG13 ILE 15 lone 6 75 45 19 5.6-8.5 8735/8463=6, 10392/2.1=5...(6) HE3 LYS 12 - HG13 ILE 15 far 4 87 5 - 5.1-9.1 Violated in 4 structures by 0.10 A. Peak 8445 from cnoeabs.peaks (2.99, 0.76, 13.00 ppm; 3.89 A): 3 out of 8 assignments used, quality = 1.00: HB2 SER 9 + QD1 ILE 15 OK 99 100 100 99 2.2-4.2 8444/2.1=47...(27) HB3 ASP 11 + QD1 ILE 15 OK 88 100 100 88 3.5-4.1 4.5/8380=36...(16) HE2 LYS 12 + QD1 ILE 15 OK 52 98 55 96 2.8-5.9 1.8/10393=51...(16) HE3 LYS 12 - QD1 ILE 15 far 12 79 15 - 3.3-6.4 HE3 LYS 33 - QD1 ILE 15 far 8 84 10 - 5.0-7.8 HE2 LYS 33 - QD1 ILE 15 far 4 84 5 - 5.3-7.6 HE2 LYS 13 - QD1 ILE 15 far 0 70 0 - 7.2-7.9 HE3 LYS 13 - QD1 ILE 15 far 0 65 0 - 7.2-7.7 Violated in 0 structures by 0.00 A. Peak 8446 from cnoeabs.peaks (3.86, 0.76, 13.00 ppm; 3.52 A): 1 out of 2 assignments used, quality = 0.99: HA LYS 12 + QD1 ILE 15 OK 99 99 100 100 1.8-2.4 644/3.2=49, 10121/3.0=42...(33) HA ALA 89 - QD1 ILE 15 far 0 61 0 - 8.2-9.2 Violated in 0 structures by 0.00 A. Peak 8447 from cnoeabs.peaks (4.24, 0.76, 13.00 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: HB THR 31 + QD1 ILE 15 OK 100 100 100 100 4.1-5.4 2.1/8467=99, ~10123=62...(15) Violated in 4 structures by 0.04 A. Peak 8448 from cnoeabs.peaks (4.59, 0.76, 13.00 ppm; 5.66 A): 2 out of 3 assignments used, quality = 1.00: HA ASP 11 + QD1 ILE 15 OK 100 100 100 100 3.7-4.1 369/8380=90...(19) HA ILE 8 + QD1 ILE 15 OK 83 92 100 91 4.7-5.3 3.6/8436=78...(9) HA THR 84 - QD1 ILE 15 far 0 98 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 8449 from cnoeabs.peaks (4.93, 0.76, 13.00 ppm; 4.13 A): 1 out of 2 assignments used, quality = 1.00: HA ASN 10 + QD1 ILE 15 OK 100 100 100 100 2.9-3.8 8356=100, 3.0/8357=41...(8) HA ARG 30 - QD1 ILE 15 far 0 88 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 8450 from cnoeabs.peaks (3.87, 0.75, 29.43 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 12 + HG13 ILE 15 OK 98 98 100 100 4.0-4.5 8446/2.1=98, 644/2.9=85...(22) HA ALA 89 - HG13 ILE 15 far 0 71 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 8451 from cnoeabs.peaks (3.02, 3.26, 65.94 ppm; 5.91 A): 2 out of 5 assignments used, quality = 0.98: HB3 ASP 11 + HA ILE 15 OK 87 91 100 96 5.7-7.0 8461/3.0=38...(13) HB2 SER 9 + HA ILE 15 OK 87 87 100 100 4.7-6.5 8325/8261=65...(16) HE2 LYS 12 - HA ILE 15 far 5 99 5 - 7.3-9.7 HE2 LYS 33 - HA ILE 15 far 0 100 0 - 8.4-11.4 HE3 LYS 33 - HA ILE 15 far 0 100 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 8452 from cnoeabs.peaks (3.81, 3.26, 65.94 ppm; 6.21 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 19 + HA ILE 15 OK 100 100 100 100 5.6-6.5 3.0/6277=95, 8511/643=90...(17) HA ALA 18 + HA ILE 15 OK 65 65 100 100 5.3-5.9 2.1/772=100, 2.9/6263=97...(20) Violated in 0 structures by 0.00 A. Peak 8453 from cnoeabs.peaks (4.06, 3.26, 65.94 ppm; 6.16 A): 3 out of 5 assignments used, quality = 1.00: HA GLU 17 + HA ILE 15 OK 100 100 100 100 6.8-7.2 3.6/6263=92, 5.0/643=85...(10) HA GLU 16 + HA ILE 15 OK 99 99 100 100 4.7-4.8 8530/3.2=96, 8454/3.0=74...(30) HA PRO 86 + HA ILE 15 OK 60 70 100 87 5.8-6.4 8407/8409=31...(15) HB3 SER 59 - HA ILE 15 far 0 93 0 - 7.9-9.5 HA LYS 20 - HA ILE 15 far 0 100 0 - 9.2-9.8 Violated in 0 structures by 0.00 A. Peak 8454 from cnoeabs.peaks (4.06, 1.73, 37.98 ppm; 6.07 A): 1 out of 4 assignments used, quality = 0.99: HA GLU 16 + HB ILE 15 OK 99 99 100 100 4.3-4.5 3.0/652=99, 8530/2.1=98...(23) HA PRO 86 - HB ILE 15 poor 17 70 25 - 7.4-8.1 HA GLU 17 - HB ILE 15 far 0 100 0 - 7.7-7.9 HB3 SER 59 - HB ILE 15 far 0 93 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 8455 from cnoeabs.peaks (1.15, 3.26, 65.94 ppm; 4.93 A): 1 out of 3 assignments used, quality = 1.00: QG2 THR 31 + HA ILE 15 OK 100 100 100 100 3.5-4.0 10123/3.2=91...(18) HB2 LEU 29 - HA ILE 15 far 0 97 0 - 6.8-7.8 HB2 LEU 6 - HA ILE 15 far 0 70 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 8456 from cnoeabs.peaks (1.34, 3.26, 65.94 ppm; 5.04 A): 2 out of 4 assignments used, quality = 1.00: HG LEU 14 + HA ILE 15 OK 100 100 100 100 3.0-4.0 2.1/8413=93, 8409=70...(30) QB ALA 89 + HA ILE 15 OK 92 100 100 92 4.1-4.9 9940/6263=54...(12) HG12 ILE 8 - HA ILE 15 far 0 94 0 - 7.8-8.8 HB3 ARG 30 - HA ILE 15 far 0 84 0 - 9.1-9.6 Violated in 0 structures by 0.00 A. Peak 8457 from cnoeabs.peaks (1.54, 3.26, 65.94 ppm; 5.63 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 7 + HA ILE 15 OK 96 96 100 100 3.6-4.0 3.2/8261=92...(25) HB2 LEU 14 + HA ILE 15 OK 96 96 100 100 5.5-5.6 6211/3.0=92, 3.1/8413=91...(29) HG LEU 57 - HA ILE 15 poor 12 63 35 55 6.5-8.2 275/8261=34...(6) HG LEU 6 - HA ILE 15 far 0 98 0 - 9.0-11.3 HG3 ARG 30 - HA ILE 15 far 0 99 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8458 from cnoeabs.peaks (1.91, 3.26, 65.94 ppm; 5.13 A): 4 out of 10 assignments used, quality = 1.00: HB3 LEU 14 + HA ILE 15 OK 99 99 100 100 4.6-4.8 3.1/8413=83, ~6211=66...(31) HB2 ARG 19 + HA ILE 15 OK 89 94 95 100 4.7-6.9 3.9/6277=66...(20) HB2 GLU 17 + HA ILE 15 OK 46 75 70 88 5.4-7.4 4.6/6263=61, 4.0/6247=37...(8) HB3 ARG 19 + HA ILE 15 OK 32 93 35 99 5.0-7.2 3.9/6277=66...(13) HB2 LYS 13 - HA ILE 15 far 0 100 0 - 7.8-8.1 HB3 LYS 13 - HA ILE 15 far 0 100 0 - 8.5-8.6 HB ILE 8 - HA ILE 15 far 0 96 0 - 8.5-9.2 HB2 LYS 20 - HA ILE 15 far 0 91 0 - 9.0-10.1 HB3 LYS 20 - HA ILE 15 far 0 87 0 - 9.4-10.4 HB VAL 32 - HA ILE 15 far 0 77 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 8459 from cnoeabs.peaks (0.63, 3.26, 65.94 ppm; 3.67 A): 3 out of 4 assignments used, quality = 1.00: QD1 ILE 7 + HA ILE 15 OK 97 97 100 100 2.5-3.2 8261=79, 8469/678=45...(33) QD2 LEU 29 + HA ILE 15 OK 83 99 100 84 3.2-5.0 2.1/8689=26, 8483/643=21...(20) QD1 LEU 29 + HA ILE 15 OK 77 93 100 83 3.9-5.1 8672/643=39, 8689=23...(18) QG2 ILE 56 - HA ILE 15 far 0 68 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 8462 from cnoeabs.peaks (1.12, 1.73, 37.98 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.91: QG2 THR 31 + HB ILE 15 OK 91 91 100 100 3.7-4.0 10123/2.1=90...(16) Violated in 0 structures by 0.00 A. Peak 8463 from cnoeabs.peaks (1.13, 0.75, 29.43 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.98: QG2 THR 31 + HG13 ILE 15 OK 98 99 100 100 1.9-2.8 8467/2.1=91...(18) HB2 LEU 29 - HG13 ILE 15 far 0 77 0 - 8.3-9.7 Violated in 0 structures by 0.00 A. Peak 8464 from cnoeabs.peaks (1.51, 0.75, 29.43 ppm; 5.55 A): 1 out of 8 assignments used, quality = 0.99: HB ILE 7 + HG13 ILE 15 OK 99 99 100 100 4.3-4.8 2.9/10118=87...(34) HB2 LEU 14 - HG13 ILE 15 far 0 99 0 - 7.2-7.6 HG3 LYS 33 - HG13 ILE 15 far 0 99 0 - 8.1-9.6 HG LEU 6 - HG13 ILE 15 far 0 98 0 - 8.3-10.9 HG LEU 57 - HG13 ILE 15 far 0 99 0 - 8.6-9.6 HG3 LYS 13 - HG13 ILE 15 far 0 96 0 - 8.7-9.5 HG2 LYS 33 - HG13 ILE 15 far 0 65 0 - 8.8-9.9 HG3 ARG 30 - HG13 ILE 15 far 0 94 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 8465 from cnoeabs.peaks (1.88, 0.75, 29.43 ppm; 5.29 A): 2 out of 9 assignments used, quality = 1.00: HB2 LYS 12 + HG13 ILE 15 OK 96 96 100 100 5.6-6.8 3.0/8450=74, ~8446=66...(20) HB3 LEU 14 + HG13 ILE 15 OK 87 88 100 98 5.7-6.2 4.4/669=73, 8466/2.1=26...(20) HB2 ARG 19 - HG13 ILE 15 poor 20 98 20 - 6.4-8.5 HB3 LYS 12 - HG13 ILE 15 far 10 98 10 - 6.6-7.6 HB ILE 8 - HG13 ILE 15 far 0 96 0 - 7.0-8.0 HB2 LYS 33 - HG13 ILE 15 far 0 61 0 - 8.5-9.6 HB3 LYS 13 - HG13 ILE 15 far 0 68 0 - 9.2-9.6 HB2 LYS 13 - HG13 ILE 15 far 0 63 0 - 9.3-9.5 HB3 LYS 33 - HG13 ILE 15 far 0 65 0 - 9.7-10.7 Violated in 19 structures by 0.15 A. Peak 8466 from cnoeabs.peaks (1.87, 0.76, 13.00 ppm; 4.20 A): 3 out of 6 assignments used, quality = 1.00: HB3 LYS 12 + QD1 ILE 15 OK 99 99 100 100 4.0-4.8 3.0/8446=73, 4.0/8380=48...(31) HB2 LYS 12 + QD1 ILE 15 OK 99 99 100 100 3.6-4.6 3.0/8446=73, 4.0/8380=48...(26) HB3 LEU 14 + QD1 ILE 15 OK 75 81 100 94 3.3-4.2 3.8/8437=33, 4.4/6220=29...(25) HB3 LYS 13 - QD1 ILE 15 far 0 57 0 - 5.8-6.6 HB ILE 8 - QD1 ILE 15 far 0 91 0 - 6.6-7.1 HB2 ARG 19 - QD1 ILE 15 far 0 94 0 - 6.6-8.5 Violated in 0 structures by 0.00 A. Peak 8467 from cnoeabs.peaks (1.14, 0.76, 13.00 ppm; 3.29 A): 1 out of 5 assignments used, quality = 0.97: QG2 THR 31 + QD1 ILE 15 OK 97 100 100 97 2.9-3.9 10123/3.0=57...(15) HB2 LEU 6 - QD1 ILE 15 far 0 59 0 - 8.3-9.1 HB2 LEU 29 - QD1 ILE 15 far 0 93 0 - 8.7-9.8 QG2 THR 34 - QD1 ILE 15 far 0 70 0 - 8.8-9.5 HG3 LYS 82 - QD1 ILE 15 far 0 100 0 - 9.8-11.2 Violated in 12 structures by 0.09 A. Peak 8468 from cnoeabs.peaks (1.45, 0.76, 13.00 ppm; 4.26 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 12 + QD1 ILE 15 OK 100 100 100 100 3.3-5.4 384/8446=69...(23) HG12 ILE 7 + QD1 ILE 15 OK 89 90 100 100 4.2-5.5 2.1/8469=83, ~10118=48...(32) HG2 LYS 13 + QD1 ILE 15 OK 77 96 100 81 4.3-4.7 4.8/8383=34...(12) HG LEU 29 - QD1 ILE 15 far 0 99 0 - 7.1-8.5 QB ALA 22 - QD1 ILE 15 far 0 99 0 - 8.7-9.7 HG2 LYS 20 - QD1 ILE 15 far 0 99 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 8469 from cnoeabs.peaks (0.63, 0.76, 13.00 ppm; 3.79 A): 1 out of 4 assignments used, quality = 0.99: QD1 ILE 7 + QD1 ILE 15 OK 99 99 100 100 4.6-5.2 8261/678=46, 3.0/680=39...(37) QD2 LEU 29 - QD1 ILE 15 far 0 98 0 - 5.5-6.6 QD1 LEU 29 - QD1 ILE 15 far 0 87 0 - 5.6-6.7 QG2 ILE 56 - QD1 ILE 15 far 0 77 0 - 7.6-8.4 Violated in 20 structures by 1.09 A. Peak 8470 from cnoeabs.peaks (0.61, 0.75, 29.43 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.99: QD1 ILE 7 + HG13 ILE 15 OK 99 99 100 100 4.4-4.9 2.1/10118=77...(34) QD2 LEU 29 + HG13 ILE 15 OK 57 71 100 79 4.9-6.1 271/10118=18...(12) QG2 ILE 56 - HG13 ILE 15 far 0 99 0 - 7.7-8.6 Violated in 1 structures by 0.00 A. Peak 8471 from cnoeabs.peaks (0.63, 1.69, 29.43 ppm; 4.92 A): 3 out of 24 assignments used, quality = 1.00: QD1 ILE 7 + HG12 ILE 15 OK 99 99 100 100 3.5-4.2 8469/2.1=95...(33) QD2 LEU 29 + HG12 ILE 15 OK 79 98 100 81 4.7-6.2 8470/1.8=26...(12) QD1 LEU 29 + HG12 ILE 15 OK 70 87 100 81 5.2-6.2 8689/4.1=37, ~8470=22...(13) QD1 ILE 7 - HD3 LYS 90 far 15 99 15 - 6.1-8.1 QD2 LEU 29 - HD2 LYS 20 poor 9 69 40 34 5.8-8.7 8528/5.9=22, 10423/5.3=7...(4) QD1 LEU 29 - HD2 LYS 20 far 3 58 5 - 6.0-9.5 QD2 LEU 29 - HD3 LYS 20 far 0 64 0 - 6.4-9.7 QD2 LEU 29 - HD3 LYS 90 far 0 97 0 - 6.6-10.2 QD1 LEU 29 - HD3 LYS 20 far 0 53 0 - 6.8-10.0 QD1 LEU 29 - HD3 LYS 90 far 0 86 0 - 7.3-10.5 QD2 LEU 29 - HD2 LYS 12 far 0 63 0 - 7.4-10.4 QD1 ILE 7 - HD2 LYS 20 far 0 72 0 - 7.5-9.1 QG2 ILE 56 - HG12 ILE 15 far 0 77 0 - 7.6-8.9 QD1 ILE 7 - HD3 LYS 20 far 0 66 0 - 7.7-9.6 QD1 ILE 7 - HB3 ARG 91 far 0 88 0 - 7.8-9.7 QD1 ILE 7 - HD2 LYS 12 far 0 65 0 - 8.1-9.5 QD1 LEU 29 - HD2 LYS 12 far 0 52 0 - 8.1-10.3 QD2 LEU 29 - HD3 LYS 12 far 0 63 0 - 8.3-11.7 QG2 VAL 54 - HD3 LYS 47 far 0 71 0 - 8.5-11.6 QD1 LEU 29 - HD3 LYS 12 far 0 52 0 - 9.0-11.7 QG2 VAL 54 - HD2 LYS 47 far 0 70 0 - 9.1-11.6 QD1 ILE 7 - HD3 LYS 12 far 0 65 0 - 9.1-10.6 QD2 LEU 29 - HB3 ARG 91 far 0 86 0 - 9.2-12.6 QD1 LEU 29 - HB3 ARG 91 far 0 74 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 8477 from cnoeabs.peaks (3.68, 2.24, 36.00 ppm; 5.08 A): 1 out of 6 assignments used, quality = 0.99: HA LEU 14 + HG2 GLU 17 OK 99 100 100 99 2.5-4.3 593/748=67, 8478/1.8=60...(17) HA3 GLY 100 - HG2 GLU 99 poor 18 39 45 - 4.1-7.3 HA LYS 90 - HG2 GLU 17 far 5 99 5 - 6.3-8.7 HA3 GLY 100 - HG2 GLU 98 far 0 30 0 - 7.5-9.2 HA GLU 88 - HG2 GLU 17 far 0 94 0 - 9.5-11.9 HA LYS 90 - HG2 GLU 23 far 0 53 0 - 9.7-10.9 Violated in 0 structures by 0.00 A. Peak 8478 from cnoeabs.peaks (3.68, 2.43, 36.00 ppm; 5.13 A): 2 out of 5 assignments used, quality = 1.00: HA LEU 14 + HG3 GLU 17 OK 100 100 100 100 2.4-4.2 8477/1.8=82, 593/3.0=67...(22) HA3 GLY 100 + HG3 GLU 99 OK 31 67 65 71 3.7-7.2 10097/4.1=33, ~7622=13...(10) HA LYS 90 - HG3 GLU 17 far 0 98 0 - 6.7-9.0 HA LEU 42 - HG3 GLU 48 far 0 70 0 - 7.3-10.6 HA GLU 88 - HG3 GLU 17 far 0 88 0 - 9.3-12.4 Violated in 0 structures by 0.00 A. Peak 8479 from cnoeabs.peaks (4.13, 2.30, 36.00 ppm; 4.25 A): 3 out of 7 assignments used, quality = 0.98: HA LYS 13 + HG3 GLU 16 OK 80 88 100 91 2.8-4.4 493/3.0=61, 492/6240=53...(6) HA GLU 62 + HG2 GLU 63 OK 77 99 100 78 4.9-5.2 3.6/2786=32, 3.0/2786=30...(8) HA GLU 23 + HG2 GLU 23 OK 45 45 100 100 2.3-3.6 4.2=100 HB2 SER 59 - HG2 GLU 63 poor 17 82 30 68 5.4-7.3 4.6/9412=40...(6) HA LYS 24 - HG2 GLU 23 far 2 32 5 - 3.2-6.5 HA LYS 47 - HG3 GLU 43 far 0 45 0 - 7.8-10.2 HA GLN 72 - HG3 GLU 43 far 0 37 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 8480 from cnoeabs.peaks (0.76, 3.77, 54.96 ppm; 3.32 A): 3 out of 12 assignments used, quality = 1.00: QD1 ILE 93 + HA ALA 18 OK 98 100 100 98 1.8-3.1 10020/2.1=68, 10026=51...(25) QG2 ILE 93 + HA ALA 18 OK 76 98 85 91 4.0-5.6 3.1/10026=29, ~10020=24...(24) HG13 ILE 93 + HA ALA 18 OK 55 93 65 91 4.3-5.8 2.1/10026=37, ~10020=36...(15) QG1 VAL 5 - HA ALA 18 poor 16 65 25 - 4.4-5.8 QD2 LEU 57 - HA ALA 18 far 0 71 0 - 5.6-7.2 QG2 ILE 7 - HA ALA 18 far 0 65 0 - 5.9-7.1 QD1 LEU 27 - HA ALA 18 far 0 100 0 - 6.4-7.8 QD1 ILE 15 - HA ALA 18 far 0 100 0 - 7.9-8.4 HG13 ILE 15 - HA ALA 18 far 0 99 0 - 8.4-9.1 QD1 LEU 6 - HA ALA 18 far 0 99 0 - 8.8-11.5 QD2 LEU 27 - HA ALA 18 far 0 71 0 - 8.9-10.0 QG1 VAL 54 - HA ALA 18 far 0 100 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 8481 from cnoeabs.peaks (0.65, 3.77, 54.96 ppm; 4.27 A): 3 out of 5 assignments used, quality = 1.00: QD1 LEU 29 + HA ALA 18 OK 98 100 100 98 3.6-5.6 8672/2.1=74, 8688=31...(18) QD2 LEU 29 + HA ALA 18 OK 98 99 100 99 3.6-5.3 ~8672=48, 8685=35...(22) QD1 ILE 7 + HA ALA 18 OK 74 77 100 96 3.9-4.4 8278/2.1=36...(24) QD1 LEU 14 - HA ALA 18 poor 16 82 20 - 5.0-6.6 QD2 LEU 6 - HA ALA 18 far 0 65 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 8482 from cnoeabs.peaks (0.77, 1.23, 17.96 ppm; 2.91 A): 4 out of 15 assignments used, quality = 0.99: QD1 ILE 93 + QB ALA 18 OK 95 100 100 95 1.8-2.8 10020=75, 10026/2.1=28...(21) HG13 ILE 93 + QB ALA 18 OK 65 87 90 83 3.4-4.9 2.1/10020=53, ~10026=15...(13) QG2 ILE 7 + QB ALA 18 OK 60 75 100 80 3.2-4.2 8283=24, 3.0/8278=23...(22) QG2 ILE 93 + QB ALA 18 OK 27 95 35 81 4.3-5.3 3.1/10020=39...(16) QD2 LEU 57 - QB ALA 18 poor 13 81 50 31 3.6-5.1 3.1/2619=8, 2.1/2627=5...(9) HG13 ILE 15 - QB ALA 18 far 0 98 0 - 5.0-5.6 QD1 ILE 15 - QB ALA 18 far 0 99 0 - 5.0-5.6 QD1 LEU 27 - QB ALA 18 far 0 100 0 - 5.8-6.9 QD1 LEU 6 - QB ALA 18 far 0 100 0 - 6.2-8.3 QG1 VAL 54 - QB ALA 18 far 0 100 0 - 7.5-8.8 QG2 ILE 8 - QB ALA 18 far 0 93 0 - 7.9-8.5 QD2 LEU 27 - QB ALA 18 far 0 61 0 - 8.0-8.8 HG3 ARG 81 - QB ALA 18 far 0 81 0 - 8.5-10.8 QD1 LEU 64 - QB ALA 18 far 0 84 0 - 9.4-10.4 QD2 LEU 42 - QB ALA 18 far 0 100 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 8483 from cnoeabs.peaks (0.64, 1.23, 17.96 ppm; 2.86 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + QB ALA 18 OK 90 100 100 91 1.8-3.6 2.1/8672=39, 8685/2.1=18...(29) QD1 ILE 7 + QB ALA 18 OK 88 96 100 91 1.7-2.0 8278=39, 8261/643=25...(28) QD1 LEU 29 + QB ALA 18 OK 83 94 100 88 1.9-3.3 8672=49, 8688/2.1=14...(24) QG2 ILE 56 - QB ALA 18 far 0 65 0 - 6.5-7.3 QG2 VAL 54 - QB ALA 18 far 0 93 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 8484 from cnoeabs.peaks (1.45, 1.23, 17.96 ppm; 4.03 A): 4 out of 8 assignments used, quality = 1.00: HG LEU 29 + QB ALA 18 OK 97 99 100 98 1.9-4.8 2.1/8672=68, 2.1/8483=32...(25) QB ALA 22 + QB ALA 18 OK 93 99 100 95 3.8-5.0 2.9/8569=46...(19) HG12 ILE 7 + QB ALA 18 OK 87 90 100 98 3.4-4.4 2.1/8278=49, 3.2/8283=48...(21) HG2 LYS 20 + QB ALA 18 OK 60 99 85 72 4.8-6.0 882/8526=34...(14) HG3 ARG 91 - QB ALA 18 far 0 100 0 - 6.4-8.0 HB2 LEU 27 - QB ALA 18 far 0 99 0 - 7.1-8.1 HG2 LYS 13 - QB ALA 18 far 0 96 0 - 7.1-7.9 HG2 LYS 12 - QB ALA 18 far 0 100 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 8485 from cnoeabs.peaks (1.94, 1.23, 17.96 ppm; 4.34 A): 3 out of 11 assignments used, quality = 1.00: HB2 GLU 17 + QB ALA 18 OK 99 100 100 99 3.8-5.2 6268/2.9=61, ~6269=50...(20) HB3 ARG 19 + QB ALA 18 OK 98 98 100 99 4.4-5.4 799/6283=69, 10440=59...(15) HB3 LEU 14 + QB ALA 18 OK 58 59 100 98 4.9-5.6 3.1/12013=51...(22) HB3 LYS 20 - QB ALA 18 far 0 100 0 - 6.3-7.4 HB2 LYS 13 - QB ALA 18 far 0 85 0 - 7.2-8.1 HG3 GLU 88 - QB ALA 18 far 0 100 0 - 7.9-9.1 HB3 LYS 24 - QB ALA 18 far 0 91 0 - 7.9-8.8 HB2 LYS 94 - QB ALA 18 far 0 93 0 - 8.1-10.0 HB3 LYS 13 - QB ALA 18 far 0 82 0 - 8.2-9.0 HB2 LYS 24 - QB ALA 18 far 0 91 0 - 8.7-9.8 HB VAL 32 - QB ALA 18 far 0 100 0 - 9.0-10.5 Violated in 1 structures by 0.00 A. Peak 8486 from cnoeabs.peaks (1.88, 1.23, 17.96 ppm; 4.49 A): 3 out of 8 assignments used, quality = 1.00: HB2 ARG 19 + QB ALA 18 OK 95 95 100 100 4.1-5.4 3.9/6283=72...(21) HB3 LEU 14 + QB ALA 18 OK 81 82 100 98 4.9-5.6 3.1/12013=53...(21) HB VAL 5 + QB ALA 18 OK 63 97 100 65 4.6-5.6 8192/8672=25...(11) HB2 LYS 20 - QB ALA 18 far 0 97 0 - 6.3-7.2 HB2 LYS 12 - QB ALA 18 far 0 99 0 - 8.1-8.9 HB ILE 8 - QB ALA 18 far 0 92 0 - 8.2-8.9 HB3 LYS 13 - QB ALA 18 far 0 59 0 - 8.2-9.0 HB3 LYS 12 - QB ALA 18 far 0 99 0 - 8.7-9.4 Violated in 0 structures by 0.00 A. Peak 8487 from cnoeabs.peaks (1.72, 1.23, 17.96 ppm; 4.88 A): 4 out of 15 assignments used, quality = 1.00: HB ILE 15 + QB ALA 18 OK 98 98 100 100 4.9-5.5 3.0/643=89, 652/8472=44...(15) HG12 ILE 15 + QB ALA 18 OK 84 87 100 96 4.1-4.8 4.1/643=74, 4.6/8460=30...(16) HD2 LYS 90 + QB ALA 18 OK 43 90 90 54 3.5-6.7 2.9/8488=20...(10) HD3 LYS 90 + QB ALA 18 OK 39 91 80 54 4.2-7.0 2.9/8488=20...(9) HD3 LYS 13 - QB ALA 18 far 5 96 5 - 6.3-9.6 HD2 LYS 13 - QB ALA 18 far 0 95 0 - 6.5-9.8 HG2 PRO 86 - QB ALA 18 far 0 85 0 - 6.8-8.0 HB3 ARG 91 - QB ALA 18 far 0 68 0 - 6.8-9.1 HD2 LYS 12 - QB ALA 18 far 0 95 0 - 7.5-9.2 HD3 LYS 12 - QB ALA 18 far 0 95 0 - 8.4-10.5 HD3 LYS 24 - QB ALA 18 far 0 91 0 - 9.2-11.6 HB2 GLU 28 - QB ALA 18 far 0 85 0 - 9.3-10.7 HD2 LYS 24 - QB ALA 18 far 0 90 0 - 9.7-12.0 HD3 LYS 33 - QB ALA 18 far 0 100 0 - 9.7-10.9 HD2 ARG 81 - QB ALA 18 far 0 99 0 - 10.0-12.0 Violated in 0 structures by 0.00 A. Peak 8488 from cnoeabs.peaks (1.57, 1.23, 17.96 ppm; 4.53 A): 3 out of 14 assignments used, quality = 1.00: HG2 ARG 19 + QB ALA 18 OK 95 96 100 99 4.3-5.2 808/6283=62...(14) HB3 LEU 29 + QB ALA 18 OK 81 82 100 98 3.9-5.1 3.1/8672=65, 3.1/8483=31...(23) HG3 LYS 90 + QB ALA 18 OK 67 96 95 73 3.3-6.4 12027/8485=17...(17) HD3 LYS 94 - QB ALA 18 far 0 79 0 - 6.7-9.8 HG3 ARG 30 - QB ALA 18 far 0 59 0 - 7.2-8.6 HB2 ARG 30 - QB ALA 18 far 0 70 0 - 7.3-9.0 HG LEU 27 - QB ALA 18 far 0 79 0 - 8.2-9.4 HG3 LYS 12 - QB ALA 18 far 0 85 0 - 8.3-10.5 HG12 ILE 56 - QB ALA 18 far 0 61 0 - 8.9-10.2 HB3 GLU 28 - QB ALA 18 far 0 100 0 - 8.9-10.3 HG2 LYS 24 - QB ALA 18 far 0 95 0 - 9.0-11.2 HG LEU 103 - QB ALA 18 far 0 98 0 - 9.3-17.6 HB2 LEU 103 - QB ALA 18 far 0 96 0 - 9.5-16.7 HB2 ARG 79 - QB ALA 18 far 0 75 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 8489 from cnoeabs.peaks (1.81, 3.77, 54.96 ppm; 5.44 A): 4 out of 5 assignments used, quality = 1.00: HB ILE 93 + HA ALA 18 OK 100 100 100 100 4.0-5.4 ~10020=69, 3.2/10026=59...(18) HB2 LYS 90 + HA ALA 18 OK 82 100 100 82 2.1-5.5 4.1/8497=21, ~6262=21...(15) HB3 LYS 90 + HA ALA 18 OK 68 85 100 80 2.4-4.6 4.1/8497=21, ~6262=21...(15) HB3 LEU 57 + HA ALA 18 OK 35 96 45 81 6.6-7.5 2619/2.1=30...(13) HB2 GLU 88 - HA ALA 18 far 0 100 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 8490 from cnoeabs.peaks (2.93, 3.77, 54.96 ppm; 5.48 A): 3 out of 9 assignments used, quality = 0.99: HG2 MET 21 + HA ALA 18 OK 97 97 100 100 3.1-4.2 3.0/959=87, 977/769=73...(19) HE3 LYS 90 + HA ALA 18 OK 45 99 75 61 4.6-7.8 4.8/8489=15, 4.8/8489=13...(12) HE3 LYS 20 + HA ALA 18 OK 34 98 55 63 6.1-8.2 7.3/8498=33, 6330/769=26...(9) HE2 LYS 20 - HA ALA 18 poor 15 97 25 62 6.2-8.0 7.3/8498=33, 6330/769=26...(9) HE3 LYS 94 - HA ALA 18 far 0 96 0 - 7.8-10.5 HE2 LYS 94 - HA ALA 18 far 0 100 0 - 7.9-9.9 HE3 LYS 24 - HA ALA 18 far 0 65 0 - 8.4-12.7 HE2 LYS 24 - HA ALA 18 far 0 65 0 - 8.7-12.8 HE2 LYS 13 - HA ALA 18 far 0 70 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 8491 from cnoeabs.peaks (4.06, 1.23, 17.96 ppm; 4.86 A): 3 out of 5 assignments used, quality = 1.00: HA GLU 17 + QB ALA 18 OK 100 100 100 100 5.0-5.0 5.0=92, ~6259=49...(20) HA GLU 16 + QB ALA 18 OK 98 99 100 99 4.7-5.0 3.0/8472=50...(19) HA PRO 86 + QB ALA 18 OK 51 70 100 73 3.9-5.2 9854/10976=29...(13) HA LYS 20 - QB ALA 18 far 0 100 0 - 6.5-6.8 HB3 SER 59 - QB ALA 18 far 0 93 0 - 8.0-9.3 Violated in 0 structures by 0.00 A. Peak 8492 from cnoeabs.peaks (4.07, 3.77, 54.96 ppm; 5.05 A): 4 out of 5 assignments used, quality = 1.00: HA GLU 17 + HA ALA 18 OK 97 98 100 100 4.7-4.8 ~6259=52, ~6269=50...(21) HA GLU 16 + HA ALA 18 OK 83 91 95 97 6.3-6.6 ~8472=41, ~6242=41...(14) HA PRO 86 + HA ALA 18 OK 43 87 80 62 5.4-6.8 8407/12030=24...(8) HA LYS 20 + HA ALA 18 OK 24 97 25 100 6.4-6.9 3.6/769=75, 2.9/8498=60...(13) HA LYS 24 - HA ALA 18 far 0 68 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 8493 from cnoeabs.peaks (4.40, 3.77, 54.96 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: HA MET 21 + HA ALA 18 OK 100 100 100 100 5.0-5.4 3.0/769=95, 3.0/959=93...(14) Violated in 0 structures by 0.00 A. Peak 8494 from cnoeabs.peaks (8.07, 1.23, 17.96 ppm; 4.40 A): 3 out of 4 assignments used, quality = 1.00: H ILE 15 + QB ALA 18 OK 100 100 100 100 4.3-4.8 3.0/643=80, 8460=52...(16) H GLU 17 + QB ALA 18 OK 99 100 100 100 4.3-4.5 6259/2.9=85...(15) H LYS 90 + QB ALA 18 OK 75 88 100 85 2.9-4.4 7408/10976=43...(17) H LYS 13 - QB ALA 18 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 8495 from cnoeabs.peaks (7.79, 1.23, 17.96 ppm; 5.40 A): 1 out of 4 assignments used, quality = 1.00: H LYS 20 + QB ALA 18 OK 100 100 100 100 4.4-4.9 8526=97, 6291/6283=97...(21) H SER 9 - QB ALA 18 far 5 95 5 - 6.9-7.5 HE ARG 30 - QB ALA 18 far 0 100 0 - 7.7-11.1 H GLU 28 - QB ALA 18 far 0 100 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 8496 from cnoeabs.peaks (7.70, 1.23, 17.96 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.94: H MET 21 + QB ALA 18 OK 94 94 100 100 4.4-4.7 8560=88, 769/2.1=81...(22) H SER 85 - QB ALA 18 far 0 97 0 - 7.2-8.9 H ALA 25 - QB ALA 18 far 0 99 0 - 8.0-8.6 Violated in 0 structures by 0.00 A. Peak 8497 from cnoeabs.peaks (8.05, 3.77, 54.96 ppm; 5.49 A): 3 out of 4 assignments used, quality = 1.00: H GLU 17 + HA ALA 18 OK 97 97 100 100 5.3-5.5 6259/2.9=95, 6279/3.6=79...(14) H LYS 90 + HA ALA 18 OK 94 100 100 94 3.7-4.7 3910/12030=41...(15) H GLU 16 + HA ALA 18 OK 69 71 100 96 6.6-6.9 6242/2.9=51, 8472/2.1=47...(9) H ILE 15 - HA ALA 18 far 0 85 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 8498 from cnoeabs.peaks (7.79, 3.77, 54.96 ppm; 5.49 A): 1 out of 2 assignments used, quality = 1.00: H LYS 20 + HA ALA 18 OK 100 100 100 100 4.1-5.0 6291/3.6=94, 8526/2.1=88...(15) H GLU 28 - HA ALA 18 far 0 100 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 8502 from cnoeabs.peaks (4.03, 3.18, 43.16 ppm; 4.13 A): 3 out of 6 assignments used, quality = 1.00: HA GLU 16 + HD2 ARG 19 OK 92 98 100 94 2.6-5.2 8503/3.0=32, 8529=31...(16) HA GLU 16 + HD3 ARG 19 OK 92 98 100 94 2.1-5.0 8503/3.0=32, 8529=31...(16) HA LYS 20 + HD3 ARG 19 OK 31 92 35 96 5.2-7.8 798/3.6=28, ~6303=28...(18) HA GLU 17 - HD3 ARG 19 far 5 91 5 - 5.5-9.1 HA LYS 20 - HD2 ARG 19 far 0 92 0 - 5.7-7.7 HA GLU 17 - HD2 ARG 19 far 0 91 0 - 6.7-8.8 Violated in 1 structures by 0.01 A. Peak 8503 from cnoeabs.peaks (4.04, 1.58, 27.71 ppm; 4.59 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 16 + HG2 ARG 19 OK 96 100 100 97 2.3-5.3 798/3.0=39, 733/3.0=34...(17) HA LYS 20 + HG2 ARG 19 OK 63 97 65 100 3.5-6.4 ~6303=49, 2.9/6302=43...(25) HA GLU 17 - HG2 ARG 19 far 14 96 15 - 4.6-8.2 HA LEU 70 - HD2 LYS 66 far 0 77 0 - 7.9-10.8 Violated in 13 structures by 0.11 A. Peak 8507 from cnoeabs.peaks (0.64, 3.81, 59.98 ppm; 3.14 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 29 + HA ARG 19 OK 99 100 100 99 1.7-4.0 8685=38, 8673/782=33...(34) QD1 LEU 29 + HA ARG 19 OK 94 96 100 98 1.9-4.2 8688=35, 2.1/8685=30...(35) QD1 ILE 7 - HA ARG 19 far 5 95 5 - 4.4-6.0 QG2 ILE 56 - HA LYS 68 far 3 60 5 - 4.6-6.4 QG2 VAL 58 - HA LYS 68 far 0 60 0 - 7.2-8.0 QG2 VAL 54 - HA LYS 68 far 0 94 0 - 7.7-9.4 QG2 ILE 56 - HA ARG 19 far 0 61 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 8509 from cnoeabs.peaks (0.75, 3.81, 59.98 ppm; 3.59 A): 3 out of 20 assignments used, quality = 0.91: QD1 ILE 93 + HA ARG 19 OK 76 96 95 83 3.7-5.1 10020/8511=36...(15) QG2 VAL 78 + HA LYS 68 OK 44 70 100 63 2.7-4.1 2.1/10904=13, 10904=13...(17) QD1 LEU 64 + HA LYS 68 OK 28 97 35 84 4.6-5.9 10762/10260=40...(18) QG1 VAL 78 - HA LYS 68 far 15 99 15 - 4.8-6.1 QG1 VAL 5 - HA ARG 19 poor 7 81 25 35 4.5-5.7 8182=9, 10192/1007=8...(9) QG2 ILE 93 - HA ARG 19 far 5 100 5 - 5.0-6.7 QD2 LEU 42 - HA LYS 68 far 5 97 5 - 5.0-6.7 HG13 ILE 93 - HA ARG 19 far 0 99 0 - 6.0-8.5 QG1 VAL 58 - HA LYS 68 far 0 69 0 - 6.1-7.0 QD1 LEU 27 - HA ARG 19 far 0 97 0 - 6.3-7.8 QG1 VAL 54 - HA LYS 68 far 0 99 0 - 6.5-9.2 QD1 LEU 6 - HA LYS 68 far 0 95 0 - 6.5-10.0 QD1 LEU 6 - HA ARG 19 far 0 96 0 - 6.7-9.7 HG13 ILE 15 - HA ARG 19 far 0 100 0 - 7.8-8.4 QD1 ILE 15 - HA ARG 19 far 0 100 0 - 7.9-8.5 QD2 LEU 27 - HA ARG 19 far 0 85 0 - 8.3-9.2 QG2 ILE 8 - HA LYS 68 far 0 72 0 - 8.5-9.7 QG1 VAL 54 - HA ARG 19 far 0 100 0 - 8.8-10.1 HG3 ARG 81 - HA LYS 68 far 0 96 0 - 9.7-11.2 QG1 VAL 5 - HA LYS 68 far 0 80 0 - 9.9-11.4 Violated in 1 structures by 0.00 A. Peak 8510 from cnoeabs.peaks (0.97, 3.81, 59.98 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.97: QG2 THR 80 + HA LYS 68 OK 97 97 100 100 2.0-3.9 9529/2.9=65...(24) QG2 VAL 5 - HA ARG 19 far 0 91 0 - 5.8-6.7 HG LEU 55 - HA LYS 68 far 0 100 0 - 9.2-10.7 QG2 VAL 83 - HA ARG 19 far 0 100 0 - 9.3-10.2 HG LEU 55 - HA ARG 19 far 0 100 0 - 9.7-11.2 HB2 ARG 81 - HA LYS 68 far 0 67 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 8511 from cnoeabs.peaks (1.22, 3.81, 59.98 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.99: QB ALA 18 + HA ARG 19 OK 99 99 100 100 3.7-3.9 6283/3.0=87, 4.9=79...(24) HB2 LEU 6 - HA ARG 19 far 0 59 0 - 8.7-10.0 HB2 LEU 6 - HA LYS 68 far 0 58 0 - 8.8-11.1 HB2 LEU 57 - HA ARG 19 far 0 88 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 8512 from cnoeabs.peaks (1.16, 3.81, 59.98 ppm; 5.02 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 29 + HA ARG 19 OK 100 100 100 100 1.9-3.5 3.1/8688=53, 3.1/8685=50...(28) QG2 THR 31 + HA ARG 19 OK 87 95 100 92 5.1-6.2 8734/3.0=72...(8) HB2 LEU 6 - HA ARG 19 far 0 90 0 - 8.7-10.0 HB2 LEU 6 - HA LYS 68 far 0 89 0 - 8.8-11.1 HB2 LEU 57 - HA ARG 19 far 0 61 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 8513 from cnoeabs.peaks (2.50, 3.81, 59.98 ppm; 5.56 A): 2 out of 3 assignments used, quality = 0.99: HG3 GLU 23 + HA ARG 19 OK 97 99 100 98 3.2-5.7 12291/809=65...(10) HG3 GLN 72 + HA LYS 68 OK 59 60 100 98 4.5-4.8 1.8/12325=60...(19) HG2 MET 74 - HA LYS 68 far 0 80 0 - 7.2-10.9 Violated in 0 structures by 0.00 A. Peak 8514 from cnoeabs.peaks (0.80, 1.89, 29.57 ppm; 4.58 A): 4 out of 22 assignments used, quality = 1.00: QG2 ILE 15 + HB2 ARG 19 OK 99 99 100 100 3.3-5.0 10123/8734=67...(19) QG2 ILE 7 + HB2 ARG 19 OK 71 100 75 95 4.7-7.2 8282/8734=65...(15) QD1 ILE 76 + HB2 GLU 43 OK 55 62 100 89 4.2-5.4 9668/3.0=23...(18) QD1 ILE 93 + HB2 ARG 19 OK 46 75 80 76 5.4-7.2 10020/10439=33...(10) QD2 LEU 103 - HB3 GLU 104 far 6 42 15 - 4.2-7.6 QD1 LEU 57 - HB3 GLU 104 far 2 41 5 - 5.6-13.9 QD2 LEU 42 - HB2 GLU 43 far 0 36 0 - 6.9-7.7 QD1 LEU 70 - HB2 GLU 43 far 0 56 0 - 7.2-9.6 QD2 LEU 57 - HB2 ARG 19 far 0 100 0 - 7.7-10.3 QG2 ILE 52 - HB2 GLU 43 far 0 50 0 - 7.9-10.3 QD2 LEU 57 - HB3 GLU 104 far 0 58 0 - 7.9-14.3 QD1 LEU 6 - HB2 GLU 43 far 0 41 0 - 8.1-10.0 QD1 ILE 93 - HB3 GLU 104 far 0 37 0 - 8.1-16.5 QD2 LEU 70 - HB2 GLU 43 far 0 61 0 - 8.2-10.8 QD1 LEU 27 - HB2 ARG 19 far 0 73 0 - 8.4-10.2 QD1 LEU 6 - HB2 ARG 19 far 0 77 0 - 8.4-11.4 QG1 VAL 54 - HB2 GLU 43 far 0 30 0 - 8.6-9.9 QG2 VAL 32 - HB2 ARG 19 far 0 75 0 - 8.6-10.7 QD1 LEU 27 - HB3 GLU 104 far 0 36 0 - 9.2-16.0 QD2 LEU 38 - HB2 GLU 43 far 0 50 0 - 9.4-11.3 QG2 VAL 32 - HB2 GLU 43 far 0 39 0 - 9.5-11.3 QD1 LEU 57 - HB2 ARG 19 far 0 82 0 - 9.7-11.3 Violated in 0 structures by 0.00 A. Peak 8515 from cnoeabs.peaks (0.65, 1.89, 29.57 ppm; 4.14 A): 3 out of 8 assignments used, quality = 0.99: QD2 LEU 29 + HB2 ARG 19 OK 95 100 95 100 2.3-5.8 8673/3.0=68, 8685/3.0=41...(41) QD1 LEU 29 + HB2 ARG 19 OK 75 100 75 100 3.0-6.3 8688/3.0=43, ~8673=40...(38) QD1 ILE 7 + HB2 ARG 19 OK 25 82 40 76 4.7-7.0 8731/8734=18...(16) QD2 LEU 6 - HB2 ARG 19 far 0 59 0 - 7.7-10.6 QG2 VAL 54 - HB2 GLU 43 far 0 61 0 - 7.9-9.3 QD1 LEU 14 - HB2 ARG 19 far 0 77 0 - 8.0-10.0 QD2 LEU 6 - HB2 GLU 43 far 0 30 0 - 9.0-10.4 QG2 VAL 58 - HB3 GLU 104 far 0 40 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 8516 from cnoeabs.peaks (0.80, 1.93, 29.57 ppm; 4.53 A): 2 out of 17 assignments used, quality = 0.99: QG2 ILE 15 + HB3 ARG 19 OK 98 99 100 99 3.6-5.3 10415/799=55...(15) QD1 ILE 76 + HB2 GLU 43 OK 41 47 100 88 4.2-5.4 9668/3.0=23...(18) QD1 ILE 93 - HB3 ARG 19 far 11 75 15 - 5.8-6.9 QG2 ILE 7 - HB3 ARG 19 far 10 100 10 - 5.6-7.3 QD2 LEU 42 - HB2 GLU 43 far 0 27 0 - 6.9-7.7 QD1 LEU 70 - HB2 GLU 43 far 0 42 0 - 7.2-9.6 QG2 ILE 52 - HB2 GLU 43 far 0 37 0 - 7.9-10.3 QD2 LEU 57 - HB3 ARG 19 far 0 100 0 - 7.9-11.1 QD1 LEU 27 - HB3 ARG 19 far 0 73 0 - 8.0-9.9 QD1 LEU 6 - HB2 GLU 43 far 0 30 0 - 8.1-10.0 QD2 LEU 70 - HB2 GLU 43 far 0 46 0 - 8.2-10.8 QD1 LEU 6 - HB3 ARG 19 far 0 77 0 - 8.3-11.5 QG2 VAL 32 - HB3 ARG 19 far 0 75 0 - 8.5-11.0 QG1 VAL 54 - HB2 GLU 43 far 0 22 0 - 8.6-9.9 QD2 LEU 38 - HB2 GLU 43 far 0 37 0 - 9.4-11.3 QG2 VAL 32 - HB2 GLU 43 far 0 29 0 - 9.5-11.3 QG1 VAL 54 - HB3 ARG 19 far 0 59 0 - 9.6-12.3 Violated in 2 structures by 0.01 A. Peak 8517 from cnoeabs.peaks (0.65, 1.93, 29.57 ppm; 4.12 A): 2 out of 7 assignments used, quality = 0.82: QD2 LEU 29 + HB3 ARG 19 OK 70 100 70 100 1.9-6.0 8673/3.0=67, 8685/3.0=40...(35) QD1 LEU 29 + HB3 ARG 19 OK 40 100 40 100 3.5-6.2 8688/3.0=42, ~8673=39...(34) QD1 ILE 7 - HB3 ARG 19 far 4 82 5 - 5.4-7.7 QD2 LEU 6 - HB3 ARG 19 far 0 59 0 - 7.0-10.9 QD1 LEU 14 - HB3 ARG 19 far 0 77 0 - 7.8-10.4 QG2 VAL 54 - HB2 GLU 43 far 0 46 0 - 7.9-9.3 QD2 LEU 6 - HB2 GLU 43 far 0 22 0 - 9.0-10.4 Violated in 0 structures by 0.00 A. Peak 8518 from cnoeabs.peaks (0.66, 1.58, 27.71 ppm; 3.72 A): 2 out of 6 assignments used, quality = 1.00: QD1 LEU 29 + HG2 ARG 19 OK 99 99 100 100 1.9-4.9 ~8673=45, 10499/1.8=37...(37) QD2 LEU 29 + HG2 ARG 19 OK 87 92 95 100 1.9-5.6 8673/1.8=65, 1298=36...(37) QD2 LEU 6 - HG2 ARG 19 far 0 87 0 - 6.4-9.6 QG2 VAL 58 - HD2 LYS 66 far 0 82 0 - 7.4-9.4 QD1 LEU 42 - HD2 LYS 66 far 0 67 0 - 8.2-10.3 QD1 LEU 14 - HG2 ARG 19 far 0 96 0 - 8.4-10.3 Violated in 2 structures by 0.02 A. Peak 8519 from cnoeabs.peaks (0.80, 1.76, 27.71 ppm; 4.32 A): 2 out of 10 assignments used, quality = 0.98: QG2 ILE 15 + HG3 ARG 19 OK 95 97 100 98 2.1-5.8 10415/6288=50...(13) QG2 ILE 7 + HG3 ARG 19 OK 55 100 80 69 4.2-7.5 10501/8673=31...(9) QD1 ILE 93 - HG3 ARG 19 poor 17 84 20 - 5.2-7.2 QD1 ILE 15 - HG3 ARG 19 far 7 65 10 - 5.8-9.1 QD1 LEU 6 - HG3 ARG 19 far 0 85 0 - 6.7-11.2 QD2 LEU 57 - HG3 ARG 19 far 0 100 0 - 7.6-9.9 QD1 LEU 27 - HG3 ARG 19 far 0 82 0 - 7.9-9.9 QG2 VAL 32 - HG3 ARG 19 far 0 65 0 - 7.9-10.9 QD1 LEU 57 - HG3 ARG 19 far 0 73 0 - 9.2-11.6 QG1 VAL 54 - HG3 ARG 19 far 0 70 0 - 9.6-12.2 Violated in 4 structures by 0.18 A. Peak 8520 from cnoeabs.peaks (0.64, 1.76, 27.71 ppm; 3.77 A): 2 out of 4 assignments used, quality = 1.00: QD2 LEU 29 + HG3 ARG 19 OK 100 100 100 100 1.8-4.4 8673=100, 1298/1.8=37...(30) QD1 LEU 29 + HG3 ARG 19 OK 98 99 100 100 1.8-5.1 2.1/8673=70, 10499=36...(30) QD1 ILE 7 - HG3 ARG 19 poor 19 90 40 52 4.5-7.3 3.0/8519=18...(8) QD1 LEU 14 - HG3 ARG 19 far 0 68 0 - 7.6-10.3 Violated in 0 structures by 0.00 A. Peak 8521 from cnoeabs.peaks (0.80, 3.18, 43.16 ppm; 3.96 A): 2 out of 16 assignments used, quality = 1.00: QG2 ILE 15 + HD2 ARG 19 OK 93 97 100 96 2.9-4.5 10120=34, 11048/2.9=34...(15) QG2 ILE 15 + HD3 ARG 19 OK 93 97 100 96 2.7-5.0 10120=34, 11048/2.9=34...(15) QG2 ILE 7 - HD2 ARG 19 far 15 100 15 - 5.2-6.8 QG2 ILE 7 - HD3 ARG 19 far 5 100 5 - 4.8-7.1 QD1 ILE 15 - HD3 ARG 19 far 0 65 0 - 6.2-8.5 QD1 ILE 15 - HD2 ARG 19 far 0 65 0 - 6.4-8.0 QD1 ILE 93 - HD2 ARG 19 far 0 84 0 - 6.8-8.6 QD1 ILE 93 - HD3 ARG 19 far 0 84 0 - 7.0-8.5 QD1 LEU 6 - HD2 ARG 19 far 0 85 0 - 7.5-11.2 QG2 VAL 32 - HD3 ARG 19 far 0 65 0 - 8.0-11.0 QG2 VAL 32 - HD2 ARG 19 far 0 65 0 - 8.3-10.3 QD1 LEU 6 - HD3 ARG 19 far 0 85 0 - 8.6-12.0 QD2 LEU 57 - HD3 ARG 19 far 0 100 0 - 9.0-12.0 QD1 LEU 27 - HD2 ARG 19 far 0 82 0 - 9.0-11.3 QD2 LEU 57 - HD2 ARG 19 far 0 100 0 - 9.1-11.5 QD1 LEU 27 - HD3 ARG 19 far 0 82 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 8522 from cnoeabs.peaks (0.64, 3.18, 43.16 ppm; 4.09 A): 4 out of 8 assignments used, quality = 0.97: QD2 LEU 29 + HD2 ARG 19 OK 75 100 75 100 3.5-6.3 8673/3.0=66, 8686=43...(28) QD2 LEU 29 + HD3 ARG 19 OK 75 100 75 100 3.8-6.7 8673/3.0=66, 8686=40...(29) QD1 LEU 29 + HD2 ARG 19 OK 44 99 45 99 1.9-6.6 ~8673=38, 10499/3.0=38...(26) QD1 LEU 29 + HD3 ARG 19 OK 29 99 30 99 2.5-6.9 ~8673=38, 10499/3.0=38...(26) QD1 ILE 7 - HD3 ARG 19 far 0 90 0 - 6.1-8.1 QD1 ILE 7 - HD2 ARG 19 far 0 90 0 - 6.3-7.4 QD1 LEU 14 - HD3 ARG 19 far 0 68 0 - 9.0-11.2 QD1 LEU 14 - HD2 ARG 19 far 0 68 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 8523 from cnoeabs.peaks (1.44, 3.18, 43.16 ppm; 5.47 A): 6 out of 12 assignments used, quality = 1.00: HG LEU 29 + HD2 ARG 19 OK 99 99 100 100 3.9-6.9 ~8673=68, 2.1/8686=49...(24) HG LEU 29 + HD3 ARG 19 OK 89 99 90 100 4.5-8.2 ~8673=68, 2.1/8686=46...(24) QB ALA 22 + HD3 ARG 19 OK 73 99 80 92 6.0-7.6 10456/3.0=41...(11) HG2 LYS 20 + HD3 ARG 19 OK 56 97 85 68 3.5-7.9 882/6304=31, 3.7/8529=16...(9) QB ALA 22 + HD2 ARG 19 OK 46 99 50 92 5.8-7.4 10456/3.0=41...(11) HG2 LYS 20 + HD2 ARG 19 OK 24 97 40 62 4.7-7.8 882/6305=31, 8506/6.3=15...(8) HG12 ILE 7 - HD2 ARG 19 far 0 93 0 - 8.2-10.2 HG12 ILE 7 - HD3 ARG 19 far 0 93 0 - 8.5-11.2 HG2 LYS 12 - HD2 ARG 19 far 0 100 0 - 8.6-11.1 HB2 LEU 27 - HD2 ARG 19 far 0 97 0 - 9.0-11.5 HG2 LYS 12 - HD3 ARG 19 far 0 100 0 - 9.4-11.5 HB2 LEU 27 - HD3 ARG 19 far 0 97 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 8524 from cnoeabs.peaks (1.14, 3.18, 43.16 ppm; 5.81 A): 4 out of 4 assignments used, quality = 1.00: QG2 THR 31 + HD2 ARG 19 OK 98 100 100 98 3.7-5.3 8734/3.6=85...(8) QG2 THR 31 + HD3 ARG 19 OK 98 100 100 98 3.0-5.7 8734/3.6=85...(8) HB2 LEU 29 + HD3 ARG 19 OK 85 90 95 100 4.7-7.8 ~8673=60, 3.1/8686=43...(22) HB2 LEU 29 + HD2 ARG 19 OK 80 90 90 100 4.6-7.5 ~8673=60, 3.1/8686=46...(22) Violated in 0 structures by 0.00 A. Peak 8525 from cnoeabs.peaks (2.14, 3.18, 43.16 ppm; 5.99 A): 4 out of 6 assignments used, quality = 0.98: HB3 GLU 16 + HD3 ARG 19 OK 72 81 95 94 3.4-8.0 3.0/8502=41, ~8503=35...(11) HB3 GLU 23 + HD3 ARG 19 OK 68 96 85 83 6.0-7.9 ~12291=55, ~10464=43...(7) HB3 GLU 16 + HD2 ARG 19 OK 64 81 85 94 4.8-8.2 3.0/8502=41, ~8503=35...(10) HB3 GLU 23 + HD2 ARG 19 OK 23 96 30 82 6.3-8.8 ~12291=55, ~10464=43...(6) QE MET 21 - HD2 ARG 19 far 0 59 0 - 9.5-10.9 QE MET 21 - HD3 ARG 19 far 0 59 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8529 from cnoeabs.peaks (3.18, 4.04, 59.03 ppm; 4.43 A): 3 out of 8 assignments used, quality = 1.00: HD2 ARG 19 + HA GLU 16 OK 97 100 100 97 2.6-5.2 8502=41, 3.0/8503=36...(16) HD3 ARG 19 + HA GLU 16 OK 97 100 100 97 2.1-5.0 8502=41, 3.0/8503=36...(16) HD3 ARG 19 + HA LYS 20 OK 51 81 65 97 5.2-7.8 3.6/798=33, ~6303=33...(18) HD2 ARG 19 - HA LYS 20 far 4 81 5 - 5.7-7.7 HD3 ARG 19 - HA GLU 17 far 3 55 5 - 5.5-9.1 HD2 ARG 19 - HA GLU 17 far 0 55 0 - 6.7-8.8 HB3 TRP 92 - HA GLU 95 far 0 41 0 - 6.9-8.8 HB2 HIS 106 - HA GLU 95 far 0 47 0 - 7.8-22.0 Violated in 0 structures by 0.00 A. Peak 8530 from cnoeabs.peaks (0.80, 4.04, 59.03 ppm; 3.91 A): 1 out of 24 assignments used, quality = 0.98: QG2 ILE 15 + HA GLU 16 OK 98 98 100 100 3.0-3.4 10122=60, 660/3.0=58...(30) QD2 LEU 103 - HA GLU 95 poor 6 32 20 - 3.8-11.5 QG2 ILE 7 - HA GLU 16 far 5 100 5 - 5.3-6.5 QD1 ILE 93 - HA GLU 17 far 0 38 0 - 5.5-6.9 QD1 ILE 15 - HA GLU 16 far 0 61 0 - 5.7-6.0 QD1 ILE 93 - HA LYS 20 far 0 58 0 - 6.0-7.1 QG2 ILE 15 - HA GLU 17 far 0 52 0 - 6.5-6.9 QD1 LEU 27 - HA GLU 95 far 0 32 0 - 6.6-7.5 QD1 ILE 93 - HA GLU 16 far 0 81 0 - 6.7-8.1 QD1 LEU 27 - HA LYS 20 far 0 57 0 - 7.3-9.0 QG2 ILE 15 - HA LYS 20 far 0 76 0 - 7.6-8.2 QG2 ILE 7 - HA GLU 17 far 0 55 0 - 7.9-8.7 QD1 ILE 15 - HA GLU 17 far 0 27 0 - 8.1-8.5 QD1 ILE 93 - HA GLU 95 far 0 33 0 - 8.5-8.9 QD2 LEU 57 - HA GLU 95 far 0 48 0 - 8.6-9.9 QD1 LEU 57 - HA GLU 95 far 0 31 0 - 8.8-10.0 QG2 ILE 7 - HA LYS 20 far 0 81 0 - 9.2-10.0 QD2 LEU 57 - HA GLU 16 far 0 100 0 - 9.2-10.8 QD2 LEU 57 - HA GLU 17 far 0 55 0 - 9.4-11.0 QD1 LEU 27 - HA GLU 17 far 0 37 0 - 9.6-11.1 QD1 LEU 57 - HA GLU 17 far 0 36 0 - 9.6-11.4 QD2 LEU 57 - HA LYS 20 far 0 80 0 - 9.8-11.9 QD1 LEU 6 - HA GLU 16 far 0 82 0 - 9.9-12.2 QG2 VAL 32 - HA GLU 16 far 0 70 0 - 10.0-11.2 Violated in 0 structures by 0.00 A. Peak 8532 from cnoeabs.peaks (8.27, 4.41, 57.01 ppm; 5.30 A): 2 out of 4 assignments used, quality = 1.00: H GLU 23 + HA MET 21 OK 99 99 100 100 4.0-4.9 6360=99, 6354/3.6=90...(16) H LYS 94 + HA MET 21 OK 78 100 80 98 6.0-7.2 8534/3.9=68, 8536/954=44...(13) H LEU 103 - HA HIS 106 far 4 89 5 - 5.9-11.5 H LEU 27 - HA MET 21 far 0 84 0 - 7.1-7.6 Violated in 0 structures by 0.00 A. Peak 8533 from cnoeabs.peaks (8.27, 2.40, 32.03 ppm; 5.36 A): 4 out of 6 assignments used, quality = 1.00: H GLU 23 + HB3 MET 21 OK 99 100 100 99 4.6-6.3 6354/4.6=78, 6360/3.0=74...(11) H LYS 94 + HB3 MET 21 OK 99 99 100 100 5.2-6.7 8534/3.0=79, 10034=47...(18) H LYS 94 + HG3 MET 21 OK 97 97 100 100 3.2-6.4 8534/1.8=93, 10034=48...(17) H GLU 23 + HG3 MET 21 OK 94 98 100 96 4.9-6.8 6360/3.9=65, 6339/5.1=54...(10) H LEU 27 - HG3 MET 21 far 4 71 5 - 6.6-10.0 H LEU 27 - HB3 MET 21 far 0 75 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 8534 from cnoeabs.peaks (8.27, 2.94, 31.91 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: H LYS 94 + HG2 MET 21 OK 100 100 100 100 4.0-5.2 7501/3920=60...(22) H GLU 23 - HG2 MET 21 far 10 99 10 - 4.6-7.3 H LEU 27 - HG2 MET 21 far 0 84 0 - 6.6-10.2 Violated in 3 structures by 0.04 A. Peak 8535 from cnoeabs.peaks (8.37, 2.10, 17.93 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: H ILE 93 + QE MET 21 OK 98 99 100 99 3.6-5.2 4.0/10319=63...(19) H GLU 95 + QE MET 21 OK 92 97 100 95 4.2-6.0 7528/8536=38...(14) H TYR 4 - QE MET 21 far 0 97 0 - 8.9-11.0 Violated in 3 structures by 0.02 A. Peak 8536 from cnoeabs.peaks (8.26, 2.10, 17.93 ppm; 3.91 A): 2 out of 3 assignments used, quality = 1.00: H LYS 94 + QE MET 21 OK 99 100 100 99 1.9-4.0 4.3/10319=42...(27) H GLU 23 + QE MET 21 OK 80 93 90 95 4.7-5.8 6354/6351=55...(13) H LEU 27 - QE MET 21 far 0 96 0 - 5.7-7.0 Violated in 1 structures by 0.00 A. Peak 8537 from cnoeabs.peaks (8.05, 2.10, 17.93 ppm; 4.53 A): 1 out of 4 assignments used, quality = 0.54: H LYS 90 + QE MET 21 OK 54 100 55 99 5.3-6.3 3.0/8543=73...(19) H GLU 17 - QE MET 21 far 0 99 0 - 8.3-9.2 H GLY 101 - QE MET 21 far 0 79 0 - 8.8-12.2 H SER 102 - QE MET 21 far 0 100 0 - 8.9-14.0 Violated in 20 structures by 1.38 A. Peak 8538 from cnoeabs.peaks (7.57, 2.10, 17.93 ppm; 5.27 A): 1 out of 2 assignments used, quality = 1.00: H LYS 24 + QE MET 21 OK 100 100 100 100 4.2-4.8 3.0/8540=81, 956/954=73...(20) H GLU 88 - QE MET 21 far 0 100 0 - 8.6-9.5 Violated in 0 structures by 0.00 A. Peak 8539 from cnoeabs.peaks (7.48, 2.10, 17.93 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.99: H ARG 91 + QE MET 21 OK 99 99 100 100 4.8-5.6 3.6/8543=78...(18) HD22 ASN 26 - QE MET 21 far 0 99 0 - 8.4-9.3 HE ARG 19 - QE MET 21 far 0 84 0 - 8.9-11.5 Violated in 16 structures by 0.21 A. Peak 8540 from cnoeabs.peaks (4.07, 2.10, 17.93 ppm; 4.52 A): 1 out of 5 assignments used, quality = 0.49: HA LYS 24 + QE MET 21 OK 49 79 65 95 5.6-6.5 3.0/8538=51, 4.8/8624=48...(13) HA LYS 20 - QE MET 21 far 0 92 0 - 6.0-6.6 HA GLU 17 - QE MET 21 far 0 93 0 - 6.5-7.9 HA PRO 86 - QE MET 21 far 0 94 0 - 8.3-9.4 HA GLU 16 - QE MET 21 far 0 82 0 - 9.3-9.7 Violated in 20 structures by 1.45 A. Peak 8541 from cnoeabs.peaks (3.86, 2.10, 17.93 ppm; 3.71 A): 3 out of 5 assignments used, quality = 1.00: HA LYS 94 + QE MET 21 OK 96 99 100 97 2.2-4.0 3.0/8536=30...(30) HA ALA 22 + QE MET 21 OK 74 77 100 96 2.8-4.8 3.0/6351=58, 3.6/8536=20...(22) HA ARG 91 + QE MET 21 OK 59 75 100 78 3.9-5.1 3.0/8539=34...(21) HA2 GLY 100 - QE MET 21 far 0 99 0 - 9.1-12.1 HA3 GLY 101 - QE MET 21 far 0 65 0 - 9.8-13.3 Violated in 0 structures by 0.00 A. Peak 8542 from cnoeabs.peaks (3.79, 2.10, 17.93 ppm; 4.33 A): 2 out of 5 assignments used, quality = 0.97: HA ALA 18 + QE MET 21 OK 91 93 100 98 4.6-5.1 769/6337=54, 959/4.3=40...(15) HA ALA 22 + QE MET 21 OK 73 73 100 99 2.8-4.8 3.0/6351=74, 3.6/8536=27...(25) HA SER 97 - QE MET 21 far 4 90 5 - 5.7-8.3 HA ARG 19 - QE MET 21 far 0 96 0 - 6.3-7.3 HB3 SER 102 - QE MET 21 far 0 96 0 - 9.8-16.1 Violated in 1 structures by 0.00 A. Peak 8543 from cnoeabs.peaks (3.66, 2.10, 17.93 ppm; 4.05 A): 1 out of 3 assignments used, quality = 1.00: HA LYS 90 + QE MET 21 OK 100 100 100 100 3.3-4.3 10312=72, 3920/3.4=58...(28) HA GLU 88 - QE MET 21 far 0 100 0 - 8.1-8.8 HA LEU 14 - QE MET 21 far 0 92 0 - 8.8-9.8 Violated in 4 structures by 0.02 A. Peak 8545 from cnoeabs.peaks (3.80, 2.94, 31.91 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.98: HA ALA 18 + HG2 MET 21 OK 86 87 100 99 3.1-4.2 959/3.0=55, 769/977=53...(19) HA ALA 22 + HG2 MET 21 OK 82 82 100 100 2.9-6.4 3.0/6349=69, ~967=41...(22) HA ARG 19 - HG2 MET 21 far 15 99 15 - 5.6-7.8 HA SER 97 - HG2 MET 21 far 0 95 0 - 8.0-11.5 Violated in 0 structures by 0.00 A. Peak 8546 from cnoeabs.peaks (3.66, 2.94, 31.91 ppm; 4.28 A): 1 out of 3 assignments used, quality = 1.00: HA LYS 90 + HG2 MET 21 OK 100 100 100 100 1.8-3.2 3920=99, 8543/3.4=61...(28) HA LEU 14 - HG2 MET 21 far 0 92 0 - 7.3-10.5 HA GLU 88 - HG2 MET 21 far 0 100 0 - 8.2-10.0 Violated in 0 structures by 0.00 A. Peak 8547 from cnoeabs.peaks (3.79, 2.40, 31.91 ppm; 4.95 A): 5 out of 7 assignments used, quality = 1.00: HA ALA 18 + HG3 MET 21 OK 92 93 100 99 3.5-4.8 959/3.0=65, 769/5.1=48...(19) HA ALA 18 + HB3 MET 21 OK 89 89 100 100 2.1-3.9 959/1.8=78, 769/4.0=60...(20) HA ALA 22 + HB3 MET 21 OK 69 69 100 100 4.8-5.4 ~967=57, ~6347=44...(21) HA ARG 19 + HB3 MET 21 OK 66 93 95 75 4.8-6.8 786/4.6=54, 6319/4.0=26...(6) HA ALA 22 + HG3 MET 21 OK 33 73 45 100 2.9-6.6 ~6349=51, ~984=48...(20) HA ARG 19 - HG3 MET 21 far 5 96 5 - 5.5-7.8 HA SER 97 - HG3 MET 21 far 0 90 0 - 7.9-12.5 Violated in 0 structures by 0.00 A. Peak 8548 from cnoeabs.peaks (3.67, 2.40, 31.91 ppm; 4.52 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 90 + HG3 MET 21 OK 100 100 100 100 1.8-4.5 3920/1.8=92, 8543/3.4=65...(30) HA LYS 90 + HB3 MET 21 OK 98 98 100 100 2.6-3.5 3920/3.0=75, 8549/1.8=73...(30) HA LEU 14 - HG3 MET 21 far 0 99 0 - 7.4-9.8 HA LEU 14 - HB3 MET 21 far 0 96 0 - 7.6-8.6 HA GLU 88 - HG3 MET 21 far 0 98 0 - 8.4-10.6 HA GLU 88 - HB3 MET 21 far 0 94 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 8549 from cnoeabs.peaks (3.67, 2.05, 32.03 ppm; 4.72 A): 1 out of 5 assignments used, quality = 1.00: HA LYS 90 + HB2 MET 21 OK 100 100 100 100 2.8-3.5 3920/3.0=79, 8543/4.3=59...(25) HA LYS 90 - HB3 LYS 94 poor 11 53 20 - 5.2-8.1 HA LEU 14 - HB2 MET 21 far 0 96 0 - 7.7-9.8 HA GLU 88 - HB3 LYS 94 far 0 51 0 - 8.0-10.8 HA GLU 88 - HB2 MET 21 far 0 99 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 8551 from cnoeabs.peaks (1.32, 2.10, 17.93 ppm; 3.18 A): 2 out of 7 assignments used, quality = 0.98: QB ALA 25 + QE MET 21 OK 89 96 100 93 2.2-3.5 8624=44, 2.1/994=24...(23) HG2 LYS 94 + QE MET 21 OK 83 96 100 87 3.6-4.5 1.8/12253=25, 2.9/995=23...(23) HG2 LYS 90 - QE MET 21 far 10 65 15 - 4.1-6.6 QB ALA 89 - QE MET 21 far 0 96 0 - 5.8-6.8 HB3 LEU 27 - QE MET 21 far 0 91 0 - 6.1-8.5 HG LEU 14 - QE MET 21 far 0 82 0 - 8.6-9.4 HG LEU 3 - QE MET 21 far 0 87 0 - 9.4-11.5 Violated in 2 structures by 0.01 A. Peak 8552 from cnoeabs.peaks (0.76, 2.10, 17.93 ppm; 3.37 A): 4 out of 10 assignments used, quality = 1.00: QG2 ILE 93 + QE MET 21 OK 99 100 100 99 1.8-3.8 10319=64, 3.1/10318=32...(42) QD1 ILE 93 + QE MET 21 OK 96 98 100 98 3.0-4.3 3.1/10319=42, 10318=41...(32) HG13 ILE 93 + QE MET 21 OK 63 98 70 93 4.3-6.2 3.2/10319=42...(24) QD1 LEU 27 + QE MET 21 OK 50 98 90 57 3.2-5.3 1223/8624=19...(16) QD2 LEU 27 - QE MET 21 far 0 82 0 - 4.9-6.7 QG1 VAL 5 - QE MET 21 far 0 77 0 - 5.0-6.8 QD2 LEU 57 - QE MET 21 far 0 59 0 - 6.1-7.6 QG1 VAL 54 - QE MET 21 far 0 100 0 - 9.0-10.7 QD1 LEU 6 - QE MET 21 far 0 97 0 - 9.3-11.9 HG3 ARG 81 - QE MET 21 far 0 95 0 - 9.7-12.2 Violated in 3 structures by 0.01 A. Peak 8553 from cnoeabs.peaks (1.81, 2.40, 32.03 ppm; 4.14 A): 6 out of 9 assignments used, quality = 1.00: HB ILE 93 + HB3 MET 21 OK 99 99 100 100 3.4-4.3 10011/3.0=40...(26) HB ILE 93 + HG3 MET 21 OK 96 96 100 100 1.9-5.2 10011/1.8=49...(26) HB2 LYS 90 + HB3 MET 21 OK 94 100 95 99 3.2-5.7 ~8549=35, ~3920=29...(41) HB2 LYS 90 + HG3 MET 21 OK 93 98 95 100 2.4-5.9 ~3920=42, ~8546=39...(41) HB3 LYS 90 + HB3 MET 21 OK 88 90 100 99 2.0-4.3 ~8549=35, ~3920=29...(41) HB3 LYS 90 + HG3 MET 21 OK 85 85 100 100 2.1-4.4 ~3920=42, ~8546=39...(42) HB3 LEU 57 - HG3 MET 21 far 0 95 0 - 8.0-11.5 HB3 LEU 57 - HB3 MET 21 far 0 98 0 - 8.2-9.6 HB2 GLU 88 - HG3 MET 21 far 0 98 0 - 9.9-12.5 Violated in 0 structures by 0.00 A. Peak 8554 from cnoeabs.peaks (1.33, 2.40, 32.03 ppm; 4.60 A): 3 out of 10 assignments used, quality = 0.99: QB ALA 25 + HB3 MET 21 OK 95 99 100 96 5.0-6.0 8624/4.3=55, 8570/4.6=34...(16) QB ALA 89 + HB3 MET 21 OK 62 99 100 63 5.2-5.9 10321/10996=25...(9) QB ALA 25 + HG3 MET 21 OK 41 95 45 96 3.8-6.5 8624/3.4=66, 8557/1.8=24...(16) QB ALA 89 - HG3 MET 21 poor 15 95 25 63 5.1-7.1 10321/10996=25...(8) HG2 LYS 94 - HG3 MET 21 far 10 95 10 - 5.8-8.7 HB3 LEU 27 - HG3 MET 21 far 0 92 0 - 6.8-11.0 HG LEU 14 - HB3 MET 21 far 0 90 0 - 7.4-8.8 HG2 LYS 94 - HB3 MET 21 far 0 99 0 - 7.6-9.2 HG LEU 14 - HG3 MET 21 far 0 85 0 - 7.8-9.6 HB3 LEU 27 - HB3 MET 21 far 0 96 0 - 8.5-9.7 Violated in 17 structures by 0.16 A. Peak 8555 from cnoeabs.peaks (0.75, 2.40, 32.03 ppm; 3.57 A): 5 out of 15 assignments used, quality = 1.00: QG2 ILE 93 + HB3 MET 21 OK 99 100 100 99 2.8-4.4 10319/4.3=35, 10013=34...(32) QG2 ILE 93 + HG3 MET 21 OK 97 98 100 99 2.1-5.0 10319/3.4=45...(33) QD1 ILE 93 + HB3 MET 21 OK 93 94 100 99 2.0-3.9 4166/1.8=38...(34) QD1 ILE 93 + HG3 MET 21 OK 89 90 100 99 2.0-5.0 10318/3.4=35...(33) HG13 ILE 93 + HB3 MET 21 OK 38 99 40 96 4.2-6.3 4158/1.8=31, ~4166=24...(26) HG13 ILE 93 - HG3 MET 21 far 15 97 15 - 3.8-7.5 QD1 LEU 27 - HG3 MET 21 far 9 91 10 - 3.5-8.3 QG1 VAL 5 - HG3 MET 21 far 8 81 10 - 4.5-8.5 QG1 VAL 5 - HB3 MET 21 far 0 85 0 - 5.1-6.9 QD1 LEU 27 - HB3 MET 21 far 0 95 0 - 5.6-6.9 QD2 LEU 27 - HG3 MET 21 far 0 85 0 - 6.0-10.3 QD2 LEU 27 - HB3 MET 21 far 0 90 0 - 8.0-9.0 QG1 VAL 54 - HG3 MET 21 far 0 96 0 - 9.5-14.1 QD1 LEU 6 - HB3 MET 21 far 0 93 0 - 9.5-13.1 QD1 ILE 15 - HB3 MET 21 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 8556 from cnoeabs.peaks (1.81, 2.94, 31.91 ppm; 4.09 A): 3 out of 6 assignments used, quality = 1.00: HB ILE 93 + HG2 MET 21 OK 100 100 100 100 1.9-3.8 10011=52, 4129/3920=49...(28) HB2 LYS 90 + HG2 MET 21 OK 99 100 100 99 1.8-5.5 3.0/3920=64, 2.8/3955=26...(31) HB3 LYS 90 + HG2 MET 21 OK 82 82 100 99 1.7-4.3 3.0/3920=64, 2.8/3955=26...(31) HB3 LEU 57 - HG2 MET 21 far 0 95 0 - 7.7-10.2 HB2 GLU 104 - HG2 MET 21 far 0 100 0 - 9.3-20.6 HB2 GLU 88 - HG2 MET 21 far 0 100 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 8557 from cnoeabs.peaks (1.32, 2.94, 31.91 ppm; 4.73 A): 4 out of 6 assignments used, quality = 0.99: QB ALA 89 + HG2 MET 21 OK 81 96 100 85 4.9-6.1 10321/10024=48...(10) QB ALA 25 + HG2 MET 21 OK 80 96 85 98 3.9-6.4 8624/3.4=67, 8554/3.0=30...(17) HG2 LYS 90 + HG2 MET 21 OK 61 65 95 99 2.1-6.5 4.0/3920=66, 2.8/8556=28...(23) HG2 LYS 94 + HG2 MET 21 OK 32 96 35 96 5.6-8.2 4.9/8534=45, 8551/3.4=41...(20) HB3 LEU 27 - HG2 MET 21 far 0 91 0 - 6.8-10.7 HG LEU 14 - HG2 MET 21 far 0 82 0 - 7.2-9.4 Violated in 0 structures by 0.00 A. Peak 8558 from cnoeabs.peaks (0.75, 2.94, 31.91 ppm; 3.71 A): 3 out of 9 assignments used, quality = 1.00: QG2 ILE 93 + HG2 MET 21 OK 100 100 100 100 1.9-4.2 10319/3.4=48, 10012=44...(32) QD1 ILE 93 + HG2 MET 21 OK 88 88 100 99 1.9-3.9 10318/3.4=35, 10024=33...(32) HG13 ILE 93 + HG2 MET 21 OK 24 100 25 98 3.8-6.0 2.1/10024=37...(27) QG1 VAL 5 - HG2 MET 21 far 14 92 15 - 4.5-7.5 QD1 LEU 27 - HG2 MET 21 far 13 90 15 - 3.8-7.6 QD2 LEU 27 - HG2 MET 21 far 0 95 0 - 6.3-9.8 QD2 LEU 14 - HG2 MET 21 far 0 61 0 - 7.9-9.3 QG1 VAL 54 - HG2 MET 21 far 0 96 0 - 9.5-13.3 QD1 ILE 56 - HG2 MET 21 far 0 59 0 - 9.6-13.6 Violated in 0 structures by 0.00 A. Peak 8559 from cnoeabs.peaks (0.76, 2.05, 32.03 ppm; 3.75 A): 5 out of 15 assignments used, quality = 1.00: QG2 ILE 93 + HB2 MET 21 OK 100 100 100 100 1.8-4.6 10319/995=39...(34) QD1 ILE 93 + HB2 MET 21 OK 97 98 100 100 2.0-3.9 4166=45, 10318/4.3=34...(33) HG13 ILE 93 + HB2 MET 21 OK 82 98 85 98 4.0-6.5 4158=42, 2.1/4166=40...(28) QG2 ILE 93 + HB3 LYS 94 OK 45 52 95 92 4.0-5.5 12249/3.0=39, 4142=28...(21) QD1 LEU 27 + HB2 MET 21 OK 36 98 80 46 4.5-6.4 8567/967=13, 8566/3.0=9...(11) QG1 VAL 5 - HB2 MET 21 poor 5 77 30 20 5.0-7.1 10198=7, 4135/4134=4...(7) QD1 LEU 27 - HB3 LYS 94 far 0 49 0 - 5.6-6.8 QD1 ILE 93 - HB3 LYS 94 far 0 49 0 - 5.8-7.3 HG13 ILE 93 - HB3 LYS 94 far 0 49 0 - 6.4-8.2 QD2 LEU 57 - HB2 MET 21 far 0 59 0 - 6.5-8.0 QD2 LEU 27 - HB2 MET 21 far 0 82 0 - 6.8-8.6 QD2 LEU 27 - HB3 LYS 94 far 0 37 0 - 7.1-8.8 QG1 VAL 5 - HB3 LYS 94 far 0 34 0 - 7.6-9.4 QD2 LEU 57 - HB3 LYS 94 far 0 25 0 - 8.3-9.8 QD1 LEU 6 - HB2 MET 21 far 0 97 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 8564 from cnoeabs.peaks (1.68, 4.41, 57.01 ppm; 4.67 A): 3 out of 13 assignments used, quality = 0.98: HG3 LYS 20 + HA MET 21 OK 93 100 95 98 3.6-6.7 903/3.0=45, ~869=36...(23) HD2 LYS 24 + HA MET 21 OK 43 96 50 90 4.5-7.2 6.3/956=33, 3.6/958=26...(12) HD3 LYS 24 + HA MET 21 OK 43 95 50 90 3.9-6.9 6.3/956=33, 3.6/958=26...(12) HD3 LYS 20 - HA MET 21 far 15 100 15 - 5.9-7.4 HD2 LYS 20 - HA MET 21 far 10 100 10 - 5.7-7.4 HD2 LYS 68 - HA HIS 106 far 8 79 10 - 6.0-21.3 HB3 ARG 91 - HA HIS 106 far 5 99 5 - 5.7-22.0 HD3 LYS 68 - HA HIS 106 far 4 77 5 - 6.0-21.0 HD3 LYS 90 - HA MET 21 far 0 95 0 - 6.3-8.2 HG2 LYS 68 - HA HIS 106 far 0 61 0 - 6.3-19.6 HB3 ARG 79 - HA HIS 106 far 0 82 0 - 9.3-15.7 HB3 ARG 91 - HA MET 21 far 0 100 0 - 9.5-10.9 HB3 LYS 53 - HA HIS 106 far 0 98 0 - 9.8-20.1 Violated in 1 structures by 0.00 A. Peak 8565 from cnoeabs.peaks (1.60, 4.41, 57.01 ppm; 4.81 A): 4 out of 11 assignments used, quality = 1.00: HG2 LYS 24 + HA MET 21 OK 95 98 100 97 3.3-6.1 6385/956=61, 8594=39...(14) HG3 LYS 90 + HA MET 21 OK 56 97 70 82 4.9-7.7 ~10310=19, 8594=18...(18) HD3 LYS 94 + HA MET 21 OK 54 100 75 72 5.2-7.1 12251/954=38...(10) HD2 LYS 94 + HA MET 21 OK 50 84 90 66 5.3-6.6 12250/954=30...(11) HB2 LEU 103 - HA HIS 106 far 5 95 5 - 5.9-11.4 HG LEU 103 - HA HIS 106 far 5 93 5 - 5.1-12.9 HG LEU 27 - HA MET 21 far 0 100 0 - 6.8-8.1 HB3 LEU 29 - HA MET 21 far 0 100 0 - 6.9-8.0 HG2 ARG 19 - HA MET 21 far 0 98 0 - 7.1-9.0 HB2 ARG 79 - HA HIS 106 far 0 99 0 - 9.0-15.5 HD3 LYS 82 - HA HIS 106 far 0 70 0 - 9.7-23.4 Violated in 0 structures by 0.00 A. Peak 8566 from cnoeabs.peaks (0.75, 4.41, 57.01 ppm; 4.90 A): 3 out of 12 assignments used, quality = 1.00: QG2 ILE 93 + HA MET 21 OK 100 100 100 100 3.8-5.0 10319/954=72...(33) QD1 ILE 93 + HA MET 21 OK 88 88 100 100 4.3-5.2 11004/3.6=53...(28) QD1 LEU 27 + HA MET 21 OK 63 90 95 74 5.6-7.1 1222/4.4=28, 8567/3.6=21...(10) QD1 LEU 64 - HA HIS 106 far 10 98 10 - 5.1-15.7 HG13 ILE 93 - HA MET 21 far 0 100 0 - 6.5-7.9 QG1 VAL 5 - HA MET 21 far 0 92 0 - 7.0-8.2 QD2 LEU 27 - HA MET 21 far 0 95 0 - 7.4-8.7 HG3 ARG 81 - HA HIS 106 far 0 98 0 - 8.4-14.4 QG2 VAL 78 - HA HIS 106 far 0 82 0 - 8.8-16.4 QD1 ILE 56 - HA HIS 106 far 0 57 0 - 9.4-17.5 QD2 LEU 14 - HA MET 21 far 0 61 0 - 9.8-10.8 QG1 VAL 58 - HA HIS 106 far 0 81 0 - 10.0-18.8 Violated in 0 structures by 0.00 A. Peak 8572 from cnoeabs.peaks (1.61, 3.83, 55.43 ppm; 4.11 A): 3 out of 21 assignments used, quality = 1.00: HG LEU 27 + HA ALA 22 OK 98 98 100 100 2.6-3.8 6442/8638=58...(20) HB3 LEU 29 + HA ALA 22 OK 86 97 90 99 4.3-5.9 ~8577=53, 8581/2.1=31...(27) HB ILE 76 + HA ALA 71 OK 34 35 100 96 3.1-4.3 4.0/9649=43, 9648=39...(22) HG3 LYS 73 - HA ALA 71 far 9 57 15 - 5.5-7.8 HD3 LYS 94 - HA ALA 22 far 5 98 5 - 5.5-9.2 HG2 LYS 24 - HA ALA 22 far 0 87 0 - 6.1-7.9 HD2 LYS 94 - HA ALA 22 far 0 97 0 - 6.2-7.9 HG2 LYS 68 - HA ALA 67 far 0 41 0 - 6.4-7.7 HD3 LYS 39 - HA ALA 67 far 0 42 0 - 6.6-8.9 HD2 LYS 66 - HA ALA 67 far 0 63 0 - 6.9-7.8 HG3 LYS 73 - HA ALA 67 far 0 61 0 - 7.2-10.1 HB3 LEU 6 - HA ALA 67 far 0 33 0 - 7.3-8.8 HD3 LYS 39 - HA ALA 71 far 0 39 0 - 7.4-8.9 HG2 ARG 19 - HA ALA 22 far 0 85 0 - 7.5-9.7 HG2 LYS 68 - HA ALA 71 far 0 37 0 - 7.9-9.6 HG3 LYS 90 - HA ALA 22 far 0 84 0 - 8.1-10.5 HB ILE 76 - HA ALA 67 far 0 38 0 - 8.6-9.9 HB3 LEU 6 - HA ALA 71 far 0 30 0 - 8.8-10.5 HB2 LYS 40 - HA ALA 67 far 0 36 0 - 9.4-10.9 HB2 LYS 40 - HA ALA 71 far 0 33 0 - 9.8-10.8 HB2 ARG 79 - HA ALA 71 far 0 58 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 8574 from cnoeabs.peaks (2.08, 3.83, 55.43 ppm; 4.80 A): 4 out of 15 assignments used, quality = 1.00: QE MET 21 + HA ALA 22 OK 93 93 100 100 2.8-4.8 6351/3.0=79, ~6349=33...(25) HB2 MET 21 + HA ALA 22 OK 78 79 100 98 3.8-5.5 967/3.0=54, ~6349=36...(22) HB2 MET 74 + HA ALA 71 OK 53 53 100 99 3.1-5.1 2.9/9613=60...(15) HB3 LEU 38 + HA ALA 67 OK 48 64 100 75 2.4-4.3 ~9526=17, ~2983=14...(21) HB3 GLU 35 - HA ALA 67 poor 17 65 85 31 4.2-7.4 ~7080=13, 12058/9539=3...(11) HB3 LEU 38 - HA ALA 71 far 9 59 15 - 5.8-8.9 HB2 GLU 23 - HA ALA 22 far 5 100 5 - 5.8-6.6 HG3 GLU 28 - HA ALA 22 far 0 96 0 - 7.3-8.7 HG2 GLU 28 - HA ALA 22 far 0 96 0 - 7.4-9.6 HG3 GLU 37 - HA ALA 67 far 0 43 0 - 7.6-9.9 HB3 GLU 43 - HA ALA 71 far 0 55 0 - 8.0-9.4 HB2 LEU 64 - HA ALA 67 far 0 39 0 - 8.5-8.9 HB2 MET 74 - HA ALA 67 far 0 57 0 - 8.5-10.3 HB3 GLU 35 - HA ALA 71 far 0 61 0 - 8.9-11.5 HB2 GLU 98 - HA ALA 22 far 0 68 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 8575 from cnoeabs.peaks (0.76, 3.83, 55.43 ppm; 3.09 A): 7 out of 26 assignments used, quality = 1.00: QD1 LEU 27 + HA ALA 22 OK 94 99 100 96 1.9-3.4 8641=34, 3.1/8636=30...(26) QG2 ILE 93 + HA ALA 22 OK 90 99 100 91 1.9-2.8 10028=30, 11002/3.0=26...(30) QD1 ILE 93 + HA ALA 22 OK 74 99 90 83 3.7-5.0 10327/2.1=28...(21) QG1 VAL 78 + HA ALA 71 OK 53 56 100 94 3.0-3.5 10290/2.1=39, 10658=35...(20) QD2 LEU 27 + HA ALA 22 OK 44 79 60 92 4.1-5.1 3.1/8636=30, 2.1/8641=26...(20) QD2 LEU 42 + HA ALA 71 OK 37 59 100 63 3.0-4.4 ~10414=16, 8924=13...(16) QG2 VAL 78 + HA ALA 71 OK 29 31 100 91 3.5-4.1 2.1/10658=32, ~9685=27...(16) HG13 ILE 93 - HA ALA 22 far 14 96 15 - 4.2-6.7 QD2 LEU 42 - HA ALA 67 far 10 64 15 - 4.0-5.8 QG1 VAL 5 - HA ALA 22 far 4 73 5 - 4.6-5.5 QG2 VAL 78 - HA ALA 67 far 0 34 0 - 5.0-6.3 QD1 LEU 6 - HA ALA 67 far 0 61 0 - 5.2-8.2 QG1 VAL 58 - HA ALA 67 far 0 33 0 - 5.3-6.2 QG2 ILE 8 - HA ALA 67 far 0 46 0 - 5.9-7.4 QG1 VAL 78 - HA ALA 67 far 0 61 0 - 6.0-7.4 QG1 VAL 54 - HA ALA 71 far 0 60 0 - 6.0-7.7 QD1 LEU 6 - HA ALA 71 far 0 57 0 - 6.2-9.3 QG1 VAL 54 - HA ALA 67 far 0 65 0 - 6.7-8.5 QD2 LEU 57 - HA ALA 22 far 0 63 0 - 6.8-8.6 QD1 LEU 64 - HA ALA 67 far 0 57 0 - 6.8-7.8 QG2 ILE 52 - HA ALA 71 far 0 51 0 - 7.4-11.0 QD1 LEU 6 - HA ALA 22 far 0 98 0 - 8.2-11.0 QG1 VAL 54 - HA ALA 22 far 0 100 0 - 8.6-9.6 QD2 LEU 57 - HA ALA 67 far 0 34 0 - 9.1-10.1 QD1 LEU 64 - HA ALA 71 far 0 53 0 - 9.2-10.6 QG1 VAL 58 - HA ALA 71 far 0 30 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 8576 from cnoeabs.peaks (0.93, 3.83, 55.43 ppm; 5.04 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 5 + HA ALA 22 OK 95 96 100 100 3.2-4.2 8578/2.1=86...(16) QG1 VAL 32 + HA ALA 67 OK 39 50 100 77 4.7-6.4 10336/2.1=33, ~10338=26...(15) QG1 VAL 32 - HA ALA 71 far 0 46 0 - 8.2-9.6 HG LEU 55 - HA ALA 22 far 0 70 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 8577 from cnoeabs.peaks (1.18, 1.44, 18.06 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.94: HB2 LEU 29 + QB ALA 22 OK 94 95 100 99 1.8-2.9 1275=42, 2.9/10453=37...(28) HB3 LEU 3 - QB ALA 22 far 0 82 0 - 5.7-6.9 QG2 THR 31 - QB ALA 22 far 0 65 0 - 6.6-7.4 HB2 LEU 6 - QB ALA 22 far 0 100 0 - 7.6-8.5 HB2 LEU 57 - QB ALA 22 far 0 93 0 - 7.9-9.2 Violated in 0 structures by 0.00 A. Peak 8578 from cnoeabs.peaks (0.93, 1.44, 18.06 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.90: QG2 VAL 5 + QB ALA 22 OK 90 91 100 99 2.0-3.0 8576/2.1=45, 2.1/8582=40...(22) HG LEU 55 - QB ALA 22 far 0 59 0 - 6.4-7.7 HG13 ILE 7 - QB ALA 22 far 0 71 0 - 7.4-8.6 QG2 VAL 83 - QB ALA 22 far 0 61 0 - 8.1-9.2 HB2 ARG 81 - QB ALA 22 far 0 100 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 8579 from cnoeabs.peaks (0.76, 1.44, 18.06 ppm; 3.19 A): 6 out of 17 assignments used, quality = 1.00: QD1 LEU 27 + QB ALA 22 OK 96 99 100 97 1.9-3.3 1222=32, 8641/2.1=28...(36) QG2 ILE 93 + QB ALA 22 OK 93 99 100 94 1.9-2.9 11002/2.9=29...(35) QD1 ILE 93 + QB ALA 22 OK 91 99 100 92 2.5-3.7 10327=37, 11004/2.9=28...(34) QD2 LEU 27 + QB ALA 22 OK 74 79 100 94 4.1-4.6 2.1/1206=23, 2.1/1222=23...(28) QG1 VAL 5 + QB ALA 22 OK 59 73 100 81 2.8-3.7 2.1/8578=34, 10192=21...(17) HG13 ILE 93 + QB ALA 22 OK 51 96 65 81 3.0-5.7 2.1/10327=31, ~11004=18...(19) QD2 LEU 57 - QB ALA 22 far 0 63 0 - 4.7-6.6 QD1 LEU 6 - QB ALA 22 far 0 98 0 - 5.3-7.8 QG1 VAL 54 - QB ALA 22 far 0 100 0 - 6.1-6.9 QD2 LEU 42 - QB ALA 22 far 0 99 0 - 8.7-9.6 QD1 ILE 15 - QB ALA 22 far 0 100 0 - 8.7-9.7 HG13 ILE 15 - QB ALA 22 far 0 100 0 - 8.8-10.0 QG2 ILE 52 - QB ALA 22 far 0 92 0 - 9.2-11.0 QG1 VAL 58 - QB ALA 22 far 0 61 0 - 9.4-10.3 QG1 VAL 78 - QB ALA 22 far 0 98 0 - 9.5-10.3 QG2 VAL 78 - QB ALA 22 far 0 63 0 - 9.8-10.8 HG3 ARG 81 - QB ALA 22 far 0 93 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 8580 from cnoeabs.peaks (0.64, 1.44, 18.06 ppm; 3.30 A): 2 out of 5 assignments used, quality = 1.00: QD2 LEU 29 + QB ALA 22 OK 98 100 100 98 2.5-3.8 1299=49, 3.1/8577=41...(30) QD1 LEU 29 + QB ALA 22 OK 96 98 100 98 2.3-4.0 3.1/8577=41, 1307=40...(29) QD1 ILE 7 - QB ALA 22 far 5 92 5 - 4.7-5.9 QG2 VAL 54 - QB ALA 22 far 0 97 0 - 7.4-8.2 QD1 LEU 14 - QB ALA 22 far 0 63 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 8581 from cnoeabs.peaks (1.60, 1.44, 18.06 ppm; 3.65 A): 3 out of 11 assignments used, quality = 1.00: HB3 LEU 29 + QB ALA 22 OK 99 99 100 99 1.7-3.2 1.8/8577=68, 1283=35...(30) HG LEU 27 + QB ALA 22 OK 98 100 100 98 3.3-4.2 1206=40, 2.1/1222=29...(25) HG2 ARG 19 + QB ALA 22 OK 61 92 75 88 4.3-6.7 4.0/1007=24...(19) HD3 LYS 94 - QB ALA 22 far 0 100 0 - 6.5-9.1 HB2 ARG 30 - QB ALA 22 far 0 100 0 - 6.6-8.1 HG3 LYS 90 - QB ALA 22 far 0 91 0 - 6.8-9.0 HG2 LYS 24 - QB ALA 22 far 0 93 0 - 6.9-8.1 HD2 LYS 94 - QB ALA 22 far 0 93 0 - 6.9-8.0 HG LEU 103 - QB ALA 22 far 0 88 0 - 8.9-16.3 HB2 ARG 79 - QB ALA 22 far 0 100 0 - 9.4-12.5 HB2 LEU 103 - QB ALA 22 far 0 92 0 - 9.8-15.8 Violated in 0 structures by 0.00 A. Peak 8582 from cnoeabs.peaks (1.88, 1.44, 18.06 ppm; 4.47 A): 2 out of 5 assignments used, quality = 1.00: HB VAL 5 + QB ALA 22 OK 97 97 100 100 2.3-2.9 2.1/8578=72...(21) HB2 ARG 19 + QB ALA 22 OK 88 95 95 97 5.2-6.0 3.0/1007=43, ~786=34...(20) HB2 LYS 20 - QB ALA 22 far 0 97 0 - 6.3-7.3 HB2 LYS 53 - QB ALA 22 far 0 70 0 - 7.9-9.4 HB VAL 54 - QB ALA 22 far 0 99 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 8583 from cnoeabs.peaks (2.05, 1.44, 18.06 ppm; 4.78 A): 5 out of 9 assignments used, quality = 1.00: HB2 MET 21 + QB ALA 22 OK 99 100 100 99 3.8-5.4 967/2.9=76, ~6349=36...(22) HG12 ILE 93 + QB ALA 22 OK 97 98 100 99 2.4-4.7 2.1/10327=57, ~11004=45...(20) HG3 GLU 28 + QB ALA 22 OK 80 97 95 87 5.0-6.5 3.7/10452=51...(6) HB2 GLU 23 + QB ALA 22 OK 63 63 100 100 4.5-5.5 1.8/8584=73...(12) HG2 GLU 28 + QB ALA 22 OK 63 97 75 87 4.9-6.8 3.7/10452=51...(6) HB3 LYS 94 - QB ALA 22 far 0 82 0 - 7.6-8.5 HB2 GLU 16 - QB ALA 22 far 0 84 0 - 8.8-9.8 HB2 GLU 99 - QB ALA 22 far 0 100 0 - 9.6-12.5 HB2 GLU 98 - QB ALA 22 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 8584 from cnoeabs.peaks (2.16, 1.44, 18.06 ppm; 5.04 A): 1 out of 3 assignments used, quality = 0.99: HB3 GLU 23 + QB ALA 22 OK 99 99 100 100 4.0-5.3 6366/3.6=86...(11) HB3 GLU 16 - QB ALA 22 far 0 100 0 - 8.9-10.0 HB3 GLU 95 - QB ALA 22 far 0 100 0 - 9.7-11.6 Violated in 1 structures by 0.01 A. Peak 8585 from cnoeabs.peaks (2.50, 1.44, 18.06 ppm; 5.68 A): 1 out of 4 assignments used, quality = 0.99: HG3 GLU 23 + QB ALA 22 OK 99 99 100 100 3.6-4.5 1042/3.6=92, 10459=84...(13) HG3 GLU 98 - QB ALA 22 far 0 85 0 - 8.1-10.0 HD2 ARG 91 - QB ALA 22 far 0 98 0 - 9.0-13.0 HG3 GLU 95 - QB ALA 22 far 0 82 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 8586 from cnoeabs.peaks (8.45, 1.44, 18.06 ppm; 4.71 A): 1 out of 5 assignments used, quality = 1.00: H LEU 29 + QB ALA 22 OK 100 100 100 100 2.2-2.9 6468/8577=66...(25) H ILE 7 - QB ALA 22 far 0 100 0 - 6.6-7.9 H LYS 53 - QB ALA 22 far 0 96 0 - 8.7-10.1 H VAL 54 - QB ALA 22 far 0 61 0 - 8.8-9.7 H VAL 32 - QB ALA 22 far 0 81 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 8587 from cnoeabs.peaks (7.82, 1.44, 18.06 ppm; 5.53 A): 3 out of 6 assignments used, quality = 1.00: H ASN 26 + QB ALA 22 OK 91 92 100 99 4.5-5.4 8608/2.1=76...(12) H GLU 28 + QB ALA 22 OK 89 90 100 100 3.2-3.9 3.0/10452=75...(20) H LYS 20 + QB ALA 22 OK 80 81 100 99 5.0-5.7 6343/2.9=70, ~6344=51...(18) H LEU 3 - QB ALA 22 poor 17 87 20 - 6.8-8.0 HE ARG 30 - QB ALA 22 far 8 75 10 - 6.5-9.4 H GLU 99 - QB ALA 22 far 0 84 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 8588 from cnoeabs.peaks (7.68, 1.44, 18.06 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: H MET 21 + QB ALA 22 OK 100 100 100 100 4.3-4.5 6345/2.9=98, 6339/3.6=69...(22) H ALA 25 + QB ALA 22 OK 81 81 100 100 4.2-4.7 6394/2.1=72, 8604/2.9=53...(23) H GLU 98 - QB ALA 22 far 0 82 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 8589 from cnoeabs.peaks (7.58, 1.44, 18.06 ppm; 5.50 A): 1 out of 1 assignment used, quality = 0.98: H LYS 24 + QB ALA 22 OK 98 98 100 100 4.2-4.7 6369/3.6=89, 6355/2.9=78...(19) Violated in 0 structures by 0.00 A. Peak 8590 from cnoeabs.peaks (7.57, 3.83, 55.43 ppm; 4.71 A): 2 out of 6 assignments used, quality = 1.00: H LYS 24 + HA ALA 22 OK 100 100 100 100 4.0-4.4 6369/3.6=76...(20) H ILE 76 + HA ALA 71 OK 58 58 100 100 3.4-4.5 9649=97, 7254/9648=58...(20) H LEU 38 - HA ALA 67 poor 12 32 85 46 5.5-6.4 ~2983=13, 3.8/8574=9...(10) H GLU 44 - HA ALA 71 far 0 39 0 - 8.6-9.6 H LEU 38 - HA ALA 71 far 0 29 0 - 8.7-10.0 H ILE 76 - HA ALA 67 far 0 63 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 8594 from cnoeabs.peaks (4.41, 1.59, 25.00 ppm; 4.68 A): 3 out of 5 assignments used, quality = 1.00: HA ALA 25 + HG2 LYS 24 OK 100 100 100 100 3.4-5.0 10472=52, ~6402=44...(31) HA MET 21 + HG2 LYS 24 OK 96 100 100 96 3.3-6.1 956/6385=59, 8565=33...(14) HA MET 21 + HG3 LYS 90 OK 44 79 70 79 4.9-7.7 8565=20, ~10310=18...(18) HA MET 74 - HG3 LYS 73 far 5 94 5 - 6.1-6.6 HA SER 9 - HG3 LYS 12 far 0 90 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 8595 from cnoeabs.peaks (4.42, 1.51, 25.00 ppm; 4.13 A): 3 out of 11 assignments used, quality = 1.00: HA VAL 32 + HG3 LYS 33 OK 92 93 100 99 3.0-3.3 10145=76, 6515/6523=70...(17) HA MET 21 + HG3 LYS 24 OK 84 99 100 85 3.7-5.6 956/5.1=34, 957/2.9=25...(11) HA ALA 25 + HG3 LYS 24 OK 79 99 80 99 3.0-5.7 3.0/6402=47, 4.8/1096=44...(28) HA GLU 48 - HG2 LYS 47 far 0 87 0 - 5.9-6.6 HA MET 74 - HG2 LYS 73 far 0 81 0 - 6.4-6.7 HA GLN 50 - HG2 LYS 47 far 0 73 0 - 8.6-11.9 HA SER 9 - HG3 LYS 33 far 0 94 0 - 8.7-10.6 HA ILE 76 - HG2 LYS 47 far 0 87 0 - 9.1-12.4 HA MET 74 - HG2 LYS 47 far 0 79 0 - 9.1-12.7 HA SER 9 - HG3 LYS 13 far 0 95 0 - 9.3-10.4 HB THR 84 - HG3 LYS 13 far 0 87 0 - 9.6-12.0 Violated in 0 structures by 0.00 A. Peak 8605 from cnoeabs.peaks (8.24, 4.41, 51.21 ppm; 4.98 A): 1 out of 5 assignments used, quality = 1.00: H LEU 27 + HA ALA 25 OK 100 100 100 100 4.6-5.3 6419/6412=91...(11) H GLU 23 - HA ALA 25 far 0 61 0 - 6.5-7.1 H SER 97 - HA ALA 25 far 0 90 0 - 6.7-7.9 H LYS 94 - HA ALA 25 far 0 84 0 - 7.4-8.7 H PHE 96 - HA ALA 25 far 0 84 0 - 8.6-9.6 Violated in 10 structures by 0.08 A. Peak 8607 from cnoeabs.peaks (7.59, 1.34, 18.52 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.97: H LYS 24 + QB ALA 25 OK 97 98 100 100 3.9-4.3 6397/6408=83...(19) Violated in 0 structures by 0.00 A. Peak 8614 from cnoeabs.peaks (0.76, 4.41, 51.21 ppm; 4.96 A): 3 out of 6 assignments used, quality = 1.00: QD1 LEU 27 + HA ALA 25 OK 99 99 100 100 4.4-5.8 4.7/8605=49, 1223/2.1=48...(18) QG2 ILE 93 + HA ALA 25 OK 93 99 100 94 5.0-6.0 10319/994=35...(16) QD2 LEU 27 + HA ALA 25 OK 77 77 100 99 4.2-5.6 4.7/8605=49, ~8622=45...(17) QD1 ILE 93 - HA ALA 25 far 0 99 0 - 7.6-8.7 QG1 VAL 5 - HA ALA 25 far 0 71 0 - 8.7-10.1 HG13 ILE 93 - HA ALA 25 far 0 96 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 8615 from cnoeabs.peaks (1.97, 4.41, 51.21 ppm; 4.88 A): 2 out of 3 assignments used, quality = 1.00: HB3 LYS 24 + HA ALA 25 OK 98 98 100 100 4.3-5.2 6400/3.0=46, 8623/2.1=44...(27) HB2 LYS 24 + HA ALA 25 OK 98 98 100 100 5.4-5.7 6399/3.0=46, 8623/2.1=44...(26) QE MET 1 - HA ALA 25 far 0 100 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 8621 from cnoeabs.peaks (0.75, 1.34, 18.52 ppm; 2.90 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 27 + QB ALA 25 OK 92 97 100 95 1.9-3.0 1223=37, 2.1/8622=30...(28) QG2 ILE 93 + QB ALA 25 OK 85 100 100 85 2.6-3.4 10319/8624=23, 10320=15...(30) QD2 LEU 27 + QB ALA 25 OK 78 85 100 92 2.4-3.6 2.1/8622=30, 2.1/1223=27...(23) QD1 ILE 93 - QB ALA 25 far 0 96 0 - 4.8-5.8 HG13 ILE 93 - QB ALA 25 far 0 99 0 - 5.5-7.2 QG1 VAL 5 - QB ALA 25 far 0 81 0 - 5.6-6.9 QG1 VAL 54 - QB ALA 25 far 0 100 0 - 8.6-9.6 QD1 LEU 6 - QB ALA 25 far 0 96 0 - 8.7-11.5 QG2 ILE 52 - QB ALA 25 far 0 87 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 8622 from cnoeabs.peaks (1.62, 1.34, 18.52 ppm; 3.39 A): 2 out of 8 assignments used, quality = 0.95: HG LEU 27 + QB ALA 25 OK 90 93 100 96 2.0-2.6 2.1/1223=35, 1207=33...(20) HG2 LYS 24 + QB ALA 25 OK 57 75 80 94 3.8-5.4 6385/8607=23, ~6402=21...(30) HD2 LYS 94 - QB ALA 25 poor 20 100 20 - 2.4-6.0 HD3 LYS 94 - QB ALA 25 poor 19 93 20 - 2.5-6.8 HB3 LEU 29 - QB ALA 25 far 0 91 0 - 6.1-8.0 HG3 LYS 90 - QB ALA 25 far 0 71 0 - 7.7-9.8 HG2 ARG 19 - QB ALA 25 far 0 73 0 - 8.9-10.4 HG LEU 103 - QB ALA 25 far 0 68 0 - 9.9-16.8 Violated in 0 structures by 0.00 A. Peak 8623 from cnoeabs.peaks (1.97, 1.34, 18.52 ppm; 4.20 A): 2 out of 8 assignments used, quality = 1.00: HB2 LYS 24 + QB ALA 25 OK 99 100 100 100 5.3-5.5 4.4/6408=60, 4.0/8607=47...(26) HB3 LYS 24 + QB ALA 25 OK 99 100 100 100 3.9-4.6 4.4/6408=60, 4.0/8607=47...(27) HB3 LYS 20 - QB ALA 25 far 0 68 0 - 7.3-8.1 QE MET 1 - QB ALA 25 far 0 100 0 - 7.6-10.6 HB2 MET 1 - QB ALA 25 far 0 81 0 - 8.9-12.2 HB2 GLU 17 - QB ALA 25 far 0 81 0 - 9.0-11.2 HB3 GLU 17 - QB ALA 25 far 0 63 0 - 9.4-10.6 HB3 MET 1 - QB ALA 25 far 0 71 0 - 9.7-12.5 Violated in 1 structures by 0.01 A. Peak 8624 from cnoeabs.peaks (2.10, 1.34, 18.52 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.99: QE MET 21 + QB ALA 25 OK 99 100 100 99 2.2-3.5 8551=48, 6351/8570=40...(24) HB2 GLU 23 - QB ALA 25 far 0 96 0 - 6.4-6.9 HG3 GLU 28 - QB ALA 25 far 0 61 0 - 7.7-8.6 HG2 GLU 28 - QB ALA 25 far 0 61 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 8625 from cnoeabs.peaks (2.42, 1.34, 18.52 ppm; 6.11 A): 2 out of 5 assignments used, quality = 0.98: HG3 MET 21 + QB ALA 25 OK 88 88 100 100 3.8-6.5 3.4/8624=95, 3.0/8554=41...(16) HB3 MET 21 + QB ALA 25 OK 87 87 100 100 5.0-6.0 4.3/8624=86, 4.6/8570=66...(16) HG3 GLU 99 - QB ALA 25 far 5 96 5 - 7.3-9.6 HB3 TYR 4 - QB ALA 25 far 0 68 0 - 8.6-9.6 HG3 MET 1 - QB ALA 25 far 0 100 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 8626 from cnoeabs.peaks (1.45, 4.36, 54.31 ppm; 4.73 A): 2 out of 2 assignments used, quality = 0.99: HB2 LEU 27 + HA ASN 26 OK 98 99 100 99 5.5-5.9 4.0/6434=77...(13) QB ALA 22 + HA ASN 26 OK 54 98 60 92 5.6-6.6 6440/6434=40, ~8608=40...(8) Violated in 20 structures by 0.45 A. Peak 8627 from cnoeabs.peaks (1.34, 4.36, 54.31 ppm; 4.77 A): 2 out of 4 assignments used, quality = 1.00: QB ALA 25 + HA ASN 26 OK 100 100 100 100 4.2-4.9 6413/6414=89...(14) HB3 LEU 27 + HA ASN 26 OK 93 100 95 99 5.9-6.3 4.0/6434=78, 1.8/8626=52...(12) HB3 LEU 2 - HA ASN 26 far 0 100 0 - 7.9-10.6 HG LEU 3 - HA ASN 26 far 0 61 0 - 8.8-10.8 Violated in 0 structures by 0.00 A. Peak 8628 from cnoeabs.peaks (1.34, 2.74, 36.97 ppm; 5.46 A): 1 out of 5 assignments used, quality = 1.00: QB ALA 25 + HB2 ASN 26 OK 100 100 100 100 3.4-4.5 6413/6415=89...(9) HB3 LEU 27 - HB2 ASN 26 far 10 100 10 - 6.4-7.3 HB3 LEU 2 - HB2 ASN 26 far 0 99 0 - 8.0-11.1 HG3 LYS 94 - HB2 ASN 26 far 0 59 0 - 9.0-12.9 HG2 LYS 94 - HB2 ASN 26 far 0 100 0 - 9.4-13.1 Violated in 0 structures by 0.00 A. Peak 8629 from cnoeabs.peaks (0.75, 2.74, 36.97 ppm; 5.53 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 27 + HB2 ASN 26 OK 92 93 100 99 5.5-5.9 4.7/6435=68, 8631/1.8=48...(10) QD2 LEU 27 + HB2 ASN 26 OK 91 92 100 99 3.2-5.4 4.7/6435=68, 8631/1.8=42...(10) QG2 ILE 93 - HB2 ASN 26 far 5 100 5 - 6.9-8.3 QD1 ILE 93 - HB2 ASN 26 far 0 92 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 8630 from cnoeabs.peaks (1.34, 3.07, 36.97 ppm; 5.77 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 25 + HB3 ASN 26 OK 100 100 100 100 4.3-4.5 6413/6416=92...(9) HB3 LEU 27 + HB3 ASN 26 OK 98 100 100 99 5.5-6.2 4.0/6436=81, ~8626=43...(7) HG LEU 3 - HB3 ASN 26 poor 15 61 25 - 6.5-8.5 HB3 LEU 2 - HB3 ASN 26 lone 1 100 30 2 6.3-9.4 HG2 LYS 94 - HB3 ASN 26 far 0 100 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 8631 from cnoeabs.peaks (0.75, 3.07, 36.97 ppm; 5.09 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 27 + HB3 ASN 26 OK 95 97 100 98 5.2-5.5 4.7/6436=60...(11) QD2 LEU 27 + HB3 ASN 26 OK 83 85 100 98 2.9-4.1 4.7/6436=60, 10139=40...(11) QG2 ILE 93 - HB3 ASN 26 far 0 100 0 - 7.0-8.2 QG2 ILE 52 - HB3 ASN 26 far 0 87 0 - 9.2-12.5 QG1 VAL 5 - HB3 ASN 26 far 0 81 0 - 9.4-10.4 QD1 ILE 93 - HB3 ASN 26 far 0 96 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 8633 from cnoeabs.peaks (0.95, 1.46, 44.09 ppm; 4.32 A): 1 out of 2 assignments used, quality = 0.99: QG2 VAL 5 + HB2 LEU 27 OK 99 100 100 99 2.1-3.6 8634/1.8=73...(19) HG LEU 55 - HB2 LEU 27 far 0 95 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 8634 from cnoeabs.peaks (0.93, 1.34, 44.09 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.95: QG2 VAL 5 + HB3 LEU 27 OK 95 97 100 98 2.3-3.4 8633/1.8=69...(17) HG LEU 55 - HB3 LEU 27 far 0 73 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 8636 from cnoeabs.peaks (3.83, 1.46, 44.09 ppm; 4.26 A): 1 out of 5 assignments used, quality = 1.00: HA ALA 22 + HB2 LEU 27 OK 100 100 100 100 2.5-3.3 8638/4.0=54, 8639/1.8=38...(27) HA SER 97 - HB2 LEU 27 far 0 98 0 - 6.0-7.1 HA ARG 19 - HB2 LEU 27 far 0 92 0 - 6.3-7.3 HA LYS 94 - HB2 LEU 27 far 0 65 0 - 6.6-8.5 HA2 GLY 100 - HB2 LEU 27 far 0 65 0 - 9.2-12.9 Violated in 0 structures by 0.00 A. Peak 8639 from cnoeabs.peaks (3.83, 1.34, 44.09 ppm; 4.67 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 22 + HB3 LEU 27 OK 99 99 100 100 4.1-4.7 8636/1.8=87, 8638/4.0=63...(20) HA SER 97 + HB3 LEU 27 OK 74 94 80 98 5.2-6.3 8641/3.1=40...(17) HA ARG 19 - HB3 LEU 27 far 0 85 0 - 7.3-8.8 HA LYS 94 - HB3 LEU 27 far 0 75 0 - 7.4-9.2 HA2 GLY 100 - HB3 LEU 27 far 0 75 0 - 7.9-12.2 HA2 GLY 101 - HB3 LEU 27 far 0 75 0 - 9.6-13.4 Violated in 0 structures by 0.00 A. Peak 8640 from cnoeabs.peaks (3.81, 0.73, 25.25 ppm; 3.71 A): 2 out of 5 assignments used, quality = 1.00: HA SER 97 + QD2 LEU 27 OK 99 100 100 99 2.2-3.2 10068=53, 8090/10136=37...(21) HA ALA 22 + QD2 LEU 27 OK 95 98 100 98 4.1-5.1 8636/3.1=41, 8641/2.1=36...(20) HB3 SER 102 - QD2 LEU 27 far 0 100 0 - 8.2-12.4 HA ARG 19 - QD2 LEU 27 far 0 100 0 - 8.3-9.2 HA ALA 18 - QD2 LEU 27 far 0 61 0 - 8.9-10.0 Violated in 0 structures by 0.00 A. Peak 8641 from cnoeabs.peaks (3.82, 0.77, 26.59 ppm; 3.51 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 22 + QD1 LEU 27 OK 98 100 100 98 1.9-3.4 8636/3.1=40, 2.1/1222=32...(26) HA SER 97 + QD1 LEU 27 OK 98 99 100 98 2.5-3.8 10068/2.1=34...(22) HA ARG 19 - QD1 LEU 27 far 0 96 0 - 6.3-7.8 HB3 SER 102 - QD1 LEU 27 far 0 97 0 - 8.3-13.3 Violated in 0 structures by 0.00 A. Peak 8642 from cnoeabs.peaks (3.96, 0.77, 26.59 ppm; 3.80 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 97 + QD1 LEU 27 OK 97 98 100 99 1.9-3.9 10077/2.1=40...(23) HB3 SER 97 + QD1 LEU 27 OK 87 88 100 98 2.0-4.2 8643/2.1=33, ~10077=32...(24) Violated in 0 structures by 0.00 A. Peak 8643 from cnoeabs.peaks (3.97, 0.73, 25.25 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 97 + QD2 LEU 27 OK 94 95 100 99 2.1-4.5 10077/2.1=40...(21) HB3 SER 97 + QD2 LEU 27 OK 93 94 100 99 2.1-4.4 10074=37, 8642/2.1=34...(22) Violated in 0 structures by 0.00 A. Peak 8644 from cnoeabs.peaks (6.95, 0.77, 26.59 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 96 + QD1 LEU 27 OK 98 98 100 100 3.0-4.9 2.2/8645=82, 8646/2.1=72...(22) Violated in 12 structures by 0.18 A. Peak 8645 from cnoeabs.peaks (7.04, 0.77, 26.59 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.97: QD PHE 96 + QD1 LEU 27 OK 97 99 100 99 2.0-3.5 8647/2.1=64, 2.2/8644=57...(27) HZ PHE 96 - QD1 LEU 27 far 5 91 5 - 5.1-6.9 Violated in 0 structures by 0.00 A. Peak 8646 from cnoeabs.peaks (6.96, 0.73, 25.25 ppm; 4.26 A): 1 out of 3 assignments used, quality = 1.00: QE PHE 96 + QD2 LEU 27 OK 100 100 100 100 3.3-4.7 2.2/8647=76, 8644/2.1=69...(22) HD21 ASN 51 - QD2 LEU 27 far 0 91 0 - 9.3-12.3 HE21 GLN 50 - QD2 LEU 27 far 0 61 0 - 9.7-15.2 Violated in 11 structures by 0.12 A. Peak 8647 from cnoeabs.peaks (7.04, 0.73, 25.25 ppm; 4.06 A): 1 out of 2 assignments used, quality = 0.98: QD PHE 96 + QD2 LEU 27 OK 98 99 100 100 3.1-4.2 8645/2.1=77, 2.2/8646=66...(25) HZ PHE 96 - QD2 LEU 27 poor 18 91 20 - 5.1-6.8 Violated in 2 structures by 0.01 A. Peak 8648 from cnoeabs.peaks (7.01, 1.60, 26.52 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.93: QD PHE 96 + HG LEU 27 OK 93 93 100 100 4.9-6.3 ~8646=74, ~8644=73...(14) Violated in 15 structures by 0.30 A. Peak 8651 from cnoeabs.peaks (6.44, 4.31, 55.46 ppm; 5.59 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HA GLU 28 OK 99 100 100 99 5.4-6.3 2.2/14579=60...(13) QD TYR 4 + HA GLU 28 OK 99 99 100 100 4.6-5.2 14579=63, 8652/3.0=48...(17) Violated in 0 structures by 0.00 A. Peak 8652 from cnoeabs.peaks (6.43, 1.74, 30.51 ppm; 3.85 A): 2 out of 2 assignments used, quality = 0.99: QD TYR 4 + HB2 GLU 28 OK 95 100 100 95 2.0-2.9 3.7/8656=42, 8653/1.8=34...(19) QE TYR 4 + HB2 GLU 28 OK 87 98 100 89 2.6-3.5 8653/1.8=33, 5.7/8656=25...(15) Violated in 0 structures by 0.00 A. Peak 8653 from cnoeabs.peaks (6.44, 1.56, 30.51 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 4 + HB3 GLU 28 OK 96 99 100 97 2.6-3.8 3.7/8657=47, 8652/1.8=42...(18) QE TYR 4 + HB3 GLU 28 OK 94 100 100 94 3.2-4.8 8652/1.8=38, 5.7/8657=29...(18) Violated in 0 structures by 0.00 A. Peak 8654 from cnoeabs.peaks (6.44, 2.06, 35.83 ppm; 4.49 A): 4 out of 4 assignments used, quality = 1.00: QD TYR 4 + HG2 GLU 28 OK 97 99 100 97 4.3-5.7 8652/3.0=38, 8653/3.0=35...(18) QD TYR 4 + HG3 GLU 28 OK 97 99 100 97 3.1-5.4 8652/3.0=38, 8653/3.0=35...(18) QE TYR 4 + HG2 GLU 28 OK 96 100 100 96 3.1-6.0 8653/3.0=35, 8652/3.0=34...(16) QE TYR 4 + HG3 GLU 28 OK 96 100 100 96 3.2-5.2 8653/3.0=35, 8652/3.0=34...(16) Violated in 0 structures by 0.00 A. Peak 8656 from cnoeabs.peaks (5.15, 1.74, 30.51 ppm; 4.37 A): 1 out of 3 assignments used, quality = 0.99: HA TYR 4 + HB2 GLU 28 OK 99 100 100 99 2.9-4.1 8657/1.8=76, 10366=64...(11) HA VAL 54 - HB2 GLU 28 far 0 99 0 - 6.3-8.2 HA LEU 3 - HB2 GLU 28 far 0 90 0 - 6.6-7.8 Violated in 0 structures by 0.00 A. Peak 8657 from cnoeabs.peaks (5.15, 1.56, 30.51 ppm; 4.43 A): 1 out of 3 assignments used, quality = 0.99: HA TYR 4 + HB3 GLU 28 OK 99 100 100 99 4.4-5.4 8656/1.8=79...(11) HA VAL 54 - HB3 GLU 28 far 0 99 0 - 7.4-9.0 HA LEU 3 - HB3 GLU 28 far 0 90 0 - 8.2-9.4 Violated in 19 structures by 0.43 A. Peak 8658 from cnoeabs.peaks (4.67, 1.56, 30.51 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.86: HA LEU 27 + HB3 GLU 28 OK 86 97 100 89 5.5-5.7 1187/1242=86, ~8661=22 Violated in 20 structures by 0.49 A. Peak 8659 from cnoeabs.peaks (5.15, 2.06, 35.83 ppm; 6.31 A): 2 out of 6 assignments used, quality = 1.00: HA TYR 4 + HG3 GLU 28 OK 100 100 100 100 4.5-6.5 8656/3.0=97, 8657/3.0=97...(8) HA TYR 4 + HG2 GLU 28 OK 100 100 100 100 5.4-6.8 8656/3.0=97, 8657/3.0=97...(8) HA LEU 3 - HG3 GLU 28 far 9 90 10 - 7.5-10.2 HA VAL 54 - HG3 GLU 28 far 0 99 0 - 8.2-10.3 HA LEU 3 - HG2 GLU 28 far 0 90 0 - 9.0-10.5 HA VAL 54 - HG2 GLU 28 far 0 99 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 8661 from cnoeabs.peaks (1.45, 4.31, 55.46 ppm; 4.74 A): 2 out of 4 assignments used, quality = 1.00: HB2 LEU 27 + HA GLU 28 OK 99 99 100 100 4.0-4.5 1195/3.0=76, ~6450=56...(18) QB ALA 22 + HA GLU 28 OK 97 98 100 99 3.1-4.2 10452=70, 8586/6462=65...(10) HG LEU 29 - HA GLU 28 far 5 98 5 - 6.2-6.9 HG2 LYS 20 - HA GLU 28 far 0 99 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 8662 from cnoeabs.peaks (1.16, 4.31, 55.46 ppm; 5.05 A): 1 out of 4 assignments used, quality = 1.00: HB2 LEU 29 + HA GLU 28 OK 100 100 100 100 4.4-4.9 6468/6462=90...(8) HB3 LEU 3 - HA GLU 28 far 0 97 0 - 7.5-9.5 QG2 THR 31 - HA GLU 28 far 0 88 0 - 8.5-9.5 HB2 LEU 6 - HA GLU 28 far 0 96 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 8666 from cnoeabs.peaks (0.94, 5.66, 53.19 ppm; 4.84 A): 1 out of 4 assignments used, quality = 0.99: QG2 VAL 5 + HA LEU 29 OK 99 99 100 100 3.4-4.2 8175=99, 2.1/8173=93...(20) HG LEU 55 - HA LEU 29 far 0 82 0 - 7.0-8.5 QG1 VAL 32 - HA LEU 29 far 0 75 0 - 8.9-9.6 QG2 VAL 83 - HA LEU 29 far 0 84 0 - 9.5-10.4 Violated in 0 structures by 0.00 A. Peak 8667 from cnoeabs.peaks (0.73, 5.66, 53.19 ppm; 4.35 A): 6 out of 18 assignments used, quality = 1.00: QG1 VAL 5 + HA LEU 29 OK 99 99 100 100 3.3-3.7 8174=90, 2.1/8173=83...(21) QG2 ILE 93 + HA LEU 29 OK 54 96 70 81 5.6-6.2 10322/8175=45...(11) QD1 LEU 27 + HA LEU 29 OK 49 70 95 75 5.2-6.0 10484/8173=20...(15) QD1 ILE 93 + HA LEU 29 OK 41 68 100 60 4.9-5.7 10327/10453=15...(10) QD1 LEU 6 + HA LEU 29 OK 22 65 50 67 3.1-6.1 4.0/8681=36...(8) QG1 VAL 54 + HA LEU 29 OK 20 82 80 31 4.9-6.1 6054/8172=16, 191/8681=4...(7) HG13 ILE 93 - HA LEU 29 poor 20 99 20 - 5.3-7.9 QD1 ILE 56 - HA LEU 29 far 4 82 5 - 5.8-8.9 QD2 LEU 27 - HA LEU 29 far 0 100 0 - 6.4-7.3 HG13 ILE 56 - HA LEU 29 far 0 92 0 - 7.2-10.2 QD2 LEU 42 - HA LEU 29 far 0 73 0 - 7.7-8.5 QD1 ILE 8 - HA LEU 29 far 0 85 0 - 7.9-9.7 QD2 LEU 14 - HA LEU 29 far 0 84 0 - 8.5-9.5 HG13 ILE 15 - HA LEU 29 far 0 92 0 - 9.2-10.4 QG1 VAL 58 - HA LEU 29 far 0 97 0 - 9.4-10.3 QG1 VAL 78 - HA LEU 29 far 0 99 0 - 9.4-10.1 QD1 ILE 15 - HA LEU 29 far 0 85 0 - 9.6-10.6 QG2 VAL 78 - HA LEU 29 far 0 98 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 8668 from cnoeabs.peaks (1.86, 5.66, 53.19 ppm; 4.01 A): 1 out of 7 assignments used, quality = 1.00: HB VAL 5 + HA LEU 29 OK 100 100 100 100 1.9-2.7 8173=100, 2.1/8174=59...(24) HB2 ARG 19 - HA LEU 29 far 0 77 0 - 6.3-8.3 HB3 LEU 57 - HA LEU 29 far 0 61 0 - 7.2-8.4 HB VAL 54 - HA LEU 29 far 0 88 0 - 8.0-9.5 HB2 LYS 53 - HA LEU 29 far 0 91 0 - 9.7-11.2 HG LEU 42 - HA LEU 29 far 0 70 0 - 9.8-12.0 HB3 LYS 90 - HA LEU 29 far 0 81 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 8669 from cnoeabs.peaks (1.87, 1.16, 44.91 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: HB VAL 5 + HB2 LEU 29 OK 99 99 100 100 2.3-4.3 8191=96, 8173/2.9=83...(29) HB2 ARG 19 + HB2 LEU 29 OK 92 92 100 100 4.4-6.4 ~8673=44, 3.0/1274=39...(29) HB2 LYS 20 - HB2 LEU 29 far 0 95 0 - 7.5-8.9 HB3 LYS 90 - HB2 LEU 29 far 0 61 0 - 8.1-10.1 Violated in 0 structures by 0.00 A. Peak 8670 from cnoeabs.peaks (1.86, 1.60, 44.91 ppm; 5.33 A): 2 out of 5 assignments used, quality = 1.00: HB VAL 5 + HB3 LEU 29 OK 100 100 100 100 2.0-4.6 8191/1.8=97, 8173/2.9=91...(29) HB2 ARG 19 + HB3 LEU 29 OK 81 81 100 100 3.3-6.7 ~8673=51, 3.0/781=45...(33) HB2 LYS 20 - HB3 LEU 29 far 0 85 0 - 7.5-9.4 HB3 LYS 90 - HB3 LEU 29 far 0 77 0 - 7.7-10.1 HB VAL 54 - HB3 LEU 29 far 0 91 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 8671 from cnoeabs.peaks (1.85, 0.65, 26.64 ppm; 3.81 A): 2 out of 9 assignments used, quality = 0.97: HB VAL 5 + QD1 LEU 29 OK 96 96 100 100 2.0-4.6 2.1/10500=61, 8192=44...(28) HB3 LEU 57 + QD1 LEU 29 OK 37 90 70 58 3.5-6.7 2619/8672=11...(16) HB2 LYS 90 - QD1 LEU 29 far 0 70 0 - 5.7-9.3 HB3 LYS 90 - QD1 LEU 29 far 0 98 0 - 5.9-8.5 HB VAL 54 - QD1 LEU 29 far 0 59 0 - 7.7-10.9 HB2 LYS 12 - QD1 LEU 29 far 0 94 0 - 8.3-10.5 HB3 LYS 12 - QD1 LEU 29 far 0 92 0 - 9.4-11.3 HB2 LYS 53 - QD1 LEU 29 far 0 100 0 - 9.5-12.3 HB2 GLU 88 - QD1 LEU 29 far 0 63 0 - 9.7-11.9 Violated in 6 structures by 0.18 A. Peak 8672 from cnoeabs.peaks (1.21, 0.65, 26.64 ppm; 3.24 A): 2 out of 3 assignments used, quality = 0.93: QB ALA 18 + QD1 LEU 29 OK 91 98 100 94 1.9-3.3 8483=28, 8483/2.1=25...(28) HB2 LEU 6 + QD1 LEU 29 OK 22 68 60 55 3.8-6.2 3.0/8687=20, ~8684=16...(15) HB2 LEU 57 - QD1 LEU 29 far 0 93 0 - 4.9-8.1 Violated in 0 structures by 0.00 A. Peak 8673 from cnoeabs.peaks (1.76, 0.64, 24.70 ppm; 3.73 A): 1 out of 9 assignments used, quality = 1.00: HG3 ARG 19 + QD2 LEU 29 OK 100 100 100 100 1.8-4.4 8520=45, 1.8/1298=37...(30) HB ILE 15 - QD2 LEU 29 far 4 75 5 - 5.2-7.1 HB2 GLU 28 - QD2 LEU 29 far 0 94 0 - 6.1-7.9 HD2 LYS 90 - QD2 LEU 29 far 0 91 0 - 6.5-10.1 HB ILE 56 - QD2 LEU 29 far 0 100 0 - 7.3-9.4 HD3 LYS 33 - QD2 LEU 29 far 0 65 0 - 7.9-9.9 HB VAL 78 - QD2 LEU 29 far 0 92 0 - 8.7-11.4 HD2 LYS 33 - QD2 LEU 29 far 0 65 0 - 8.7-10.6 HB3 GLU 63 - QD2 LEU 29 far 0 94 0 - 10.0-11.7 Violated in 8 structures by 0.18 A. Peak 8674 from cnoeabs.peaks (1.88, 0.64, 24.70 ppm; 3.53 A): 2 out of 12 assignments used, quality = 0.98: HB VAL 5 + QD2 LEU 29 OK 94 96 100 98 1.9-4.7 8191/3.1=37, 8192=37...(25) HB2 ARG 19 + QD2 LEU 29 OK 67 96 70 100 2.3-5.8 3.0/8673=51, 1.8/8517=36...(43) HB2 LYS 20 - QD2 LEU 29 far 0 98 0 - 6.4-8.9 HB3 LEU 14 - QD2 LEU 29 far 0 85 0 - 6.8-8.6 HB ILE 8 - QD2 LEU 29 far 0 94 0 - 7.2-9.2 HB VAL 54 - QD2 LEU 29 far 0 99 0 - 7.3-10.9 HB2 LYS 12 - QD2 LEU 29 far 0 98 0 - 8.2-10.5 HG LEU 42 - QD2 LEU 29 far 0 93 0 - 8.5-12.6 HB2 LYS 53 - QD2 LEU 29 far 0 65 0 - 8.9-12.5 HB2 LYS 13 - QD2 LEU 29 far 0 59 0 - 9.0-11.4 HB3 LYS 12 - QD2 LEU 29 far 0 99 0 - 9.3-11.3 HB3 LYS 13 - QD2 LEU 29 far 0 63 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 8675 from cnoeabs.peaks (1.87, 1.44, 27.00 ppm; 4.33 A): 7 out of 26 assignments used, quality = 1.00: HB VAL 5 + HG LEU 29 OK 98 99 100 100 3.1-5.0 8191/3.0=60, 8173/3.6=59...(22) HB2 ARG 19 + HG LEU 29 OK 92 92 100 100 4.3-5.8 ~8673=43, 8674/2.1=37...(37) HB3 LYS 66 + HG LEU 38 OK 39 70 75 75 2.9-8.5 ~9517=27, 9516/2.1=14...(17) HB3 LYS 90 + HG3 ARG 91 OK 33 40 100 83 4.5-5.8 4.1/7445=35, 1.8/1685=19...(14) HB2 LYS 53 + HG13 ILE 52 OK 25 43 75 76 4.8-7.4 ~10852=30, ~10637=24...(12) HB VAL 54 + HG13 ILE 52 OK 22 63 40 89 5.3-8.8 ~9240=53, 2.1/10208=21...(15) HG LEU 42 + HG LEU 38 OK 22 57 40 94 4.1-6.7 8921/2.1=32...(21) HB3 LYS 39 - HG LEU 38 poor 20 70 35 81 4.7-8.0 ~10550=21, 4.0/6607=18...(18) HB ILE 8 - HG LEU 38 far 0 58 0 - 6.0-9.2 HB2 GLU 43 - HG13 ILE 76 far 0 52 0 - 6.3-7.6 HB VAL 54 - HG13 ILE 76 far 0 80 0 - 6.7-8.1 HB3 LYS 90 - HG LEU 29 far 0 61 0 - 6.7-11.0 HB3 LYS 68 - HG LEU 38 far 0 73 0 - 6.8-9.9 HB3 GLU 104 - HG3 ARG 91 far 0 76 0 - 6.9-20.0 HG LEU 42 - HG13 ILE 76 far 0 68 0 - 7.1-7.8 HB2 LYS 68 - HG LEU 38 far 0 44 0 - 7.5-10.3 HB2 LYS 20 - HG LEU 29 far 0 95 0 - 7.6-10.2 HB3 LYS 39 - HG13 ILE 76 far 0 82 0 - 7.7-9.4 HB VAL 54 - HG LEU 38 far 0 68 0 - 8.0-11.8 HG LEU 42 - HG13 ILE 52 far 0 52 0 - 9.0-12.0 HB VAL 54 - HG LEU 29 far 0 98 0 - 9.3-12.2 HB3 LEU 14 - HG LEU 29 far 0 77 0 - 9.4-10.9 HB2 GLU 43 - HG13 ILE 52 far 0 40 0 - 9.5-12.7 HB ILE 8 - HG LEU 29 far 0 88 0 - 9.7-11.5 HB VAL 5 - HG13 ILE 52 far 0 64 0 - 10.0-14.0 HB3 LEU 14 - HG3 ARG 91 far 0 51 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 8676 from cnoeabs.peaks (4.31, 1.60, 44.91 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 28 + HB3 LEU 29 OK 100 100 100 100 4.4-5.1 6462/4.0=94, 8662/1.8=92...(7) Violated in 0 structures by 0.00 A. Peak 8677 from cnoeabs.peaks (3.82, 1.60, 44.91 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: HA ALA 22 + HB3 LEU 29 OK 99 99 100 100 4.3-5.9 ~8577=79, ~10453=50...(27) HA ARG 19 + HB3 LEU 29 OK 99 99 100 100 1.9-3.9 8507/3.1=49, 781=47...(32) HA SER 97 - HB3 LEU 29 far 0 100 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 8678 from cnoeabs.peaks (4.30, 1.16, 44.91 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.98: HA GLU 28 + HB2 LEU 29 OK 98 98 100 100 4.4-4.9 6462/6468=98, 8662=97...(8) Violated in 0 structures by 0.00 A. Peak 8679 from cnoeabs.peaks (3.81, 1.16, 44.91 ppm; 5.34 A): 3 out of 4 assignments used, quality = 1.00: HA ARG 19 + HB2 LEU 29 OK 100 100 100 100 1.9-3.5 8688/3.1=56, 8512=54...(28) HA ALA 22 + HB2 LEU 29 OK 94 94 100 100 4.2-5.9 2.1/8577=91, ~10453=51...(23) HA ALA 18 + HB2 LEU 29 OK 69 71 100 96 5.3-6.7 ~8672=54, 8685/3.1=38...(14) HA SER 97 - HB2 LEU 29 far 0 99 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 8680 from cnoeabs.peaks (5.13, 5.66, 53.19 ppm; 6.27 A): 4 out of 5 assignments used, quality = 1.00: HA TYR 4 + HA LEU 29 OK 94 94 100 100 4.1-5.4 3.6/8172=97...(12) HA VAL 5 + HA LEU 29 OK 93 93 100 100 3.9-4.5 3.0/8172=100...(22) HA ILE 7 + HA LEU 29 OK 71 100 90 79 7.1-7.9 3.0/1263=35...(5) HA VAL 54 + HA LEU 29 OK 22 70 100 32 6.4-7.6 6047/8172=16...(5) HA LEU 3 - HA LEU 29 far 0 100 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 8681 from cnoeabs.peaks (5.46, 5.66, 53.19 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + HA LEU 29 OK 99 99 100 100 3.3-4.1 8698/6476=94...(11) Violated in 0 structures by 0.00 A. Peak 8682 from cnoeabs.peaks (4.30, 5.66, 53.19 ppm; 5.91 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 28 + HA LEU 29 OK 100 100 100 100 4.4-4.5 6462/2.9=100, 10491=95...(11) Violated in 0 structures by 0.00 A. Peak 8683 from cnoeabs.peaks (4.92, 0.64, 24.70 ppm; 3.97 A): 2 out of 4 assignments used, quality = 1.00: HA ARG 30 + QD2 LEU 29 OK 99 100 100 99 2.6-4.8 3.0/1302=58...(25) HA THR 31 + QD2 LEU 29 OK 69 81 90 95 3.9-5.6 3.0/12050=60...(16) HA ILE 56 - QD2 LEU 29 poor 19 63 30 - 4.9-7.1 HA ASN 10 - QD2 LEU 29 far 0 90 0 - 9.4-10.7 Violated in 9 structures by 0.21 A. Peak 8684 from cnoeabs.peaks (5.46, 0.64, 24.70 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 6 + QD2 LEU 29 OK 100 100 100 100 2.0-4.8 8698/1302=78...(25) Violated in 0 structures by 0.00 A. Peak 8685 from cnoeabs.peaks (3.80, 0.64, 24.70 ppm; 3.58 A): 2 out of 4 assignments used, quality = 0.99: HA ARG 19 + QD2 LEU 29 OK 98 99 100 100 1.7-4.0 8507=50, 782/8673=43...(35) HA ALA 18 + QD2 LEU 29 OK 71 88 85 94 3.6-5.3 ~8672=34, 2.1/8483=29...(22) HA ALA 22 - QD2 LEU 29 far 4 81 5 - 5.0-6.5 HA SER 97 - QD2 LEU 29 far 0 94 0 - 9.0-11.6 Violated in 5 structures by 0.03 A. Peak 8686 from cnoeabs.peaks (3.19, 0.64, 24.70 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.95: HD2 ARG 19 + QD2 LEU 29 OK 79 99 80 100 3.5-6.3 3.0/8673=73, 3.6/8517=37...(30) HD3 ARG 19 + QD2 LEU 29 OK 74 99 75 100 3.8-6.7 3.0/8673=73, 3.6/8517=37...(31) HB3 TRP 92 - QD2 LEU 29 far 0 99 0 - 7.2-10.3 Violated in 5 structures by 0.32 A. Peak 8687 from cnoeabs.peaks (5.46, 0.65, 26.64 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 6 + QD1 LEU 29 OK 100 100 100 100 2.0-4.0 8684/2.1=83...(24) Violated in 0 structures by 0.00 A. Peak 8688 from cnoeabs.peaks (3.80, 0.65, 26.64 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.99: HA ARG 19 + QD1 LEU 29 OK 98 99 100 100 1.9-4.2 8507=45, 8685/2.1=41...(36) HA ALA 18 + QD1 LEU 29 OK 59 88 70 95 3.6-5.6 2.1/8672=63, 8685/2.1=30...(17) HA ALA 22 - QD1 LEU 29 far 8 81 10 - 4.7-6.7 HA SER 97 - QD1 LEU 29 far 0 94 0 - 8.9-11.4 Violated in 12 structures by 0.15 A. Peak 8689 from cnoeabs.peaks (3.26, 0.65, 26.64 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 15 + QD1 LEU 29 OK 99 100 100 99 3.9-5.1 772/8672=75...(21) Violated in 0 structures by 0.00 A. Peak 8690 from cnoeabs.peaks (8.81, 0.65, 26.64 ppm; 4.86 A): 2 out of 3 assignments used, quality = 1.00: H ALA 22 + QD1 LEU 29 OK 100 100 100 100 3.3-5.6 8569/8672=53, 8568=47...(24) H ILE 8 + QD1 LEU 29 OK 52 97 65 82 5.1-7.0 8692/2.1=26, 4.7/1303=21...(12) H SER 59 - QD1 LEU 29 far 0 97 0 - 8.9-11.0 Violated in 2 structures by 0.01 A. Peak 8691 from cnoeabs.peaks (8.90, 0.65, 26.64 ppm; 4.34 A): 3 out of 3 assignments used, quality = 1.00: H ARG 19 + QD1 LEU 29 OK 100 100 100 100 2.7-5.0 6283/8672=62...(34) H VAL 5 + QD1 LEU 29 OK 87 92 95 99 3.7-5.9 8172/1304=52...(22) H LEU 57 + QD1 LEU 29 OK 33 75 70 62 4.0-6.8 3.9/8671=16...(16) Violated in 0 structures by 0.00 A. Peak 8692 from cnoeabs.peaks (8.82, 0.64, 24.70 ppm; 5.41 A): 2 out of 3 assignments used, quality = 1.00: H ALA 22 + QD2 LEU 29 OK 100 100 100 100 3.4-5.2 6351/10445=64...(25) H ILE 8 + QD2 LEU 29 OK 72 85 95 89 5.5-7.1 4.4/10501=37...(11) H SER 59 - QD2 LEU 29 far 0 85 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 8693 from cnoeabs.peaks (8.90, 0.64, 24.70 ppm; 4.18 A): 2 out of 3 assignments used, quality = 1.00: H ARG 19 + QD2 LEU 29 OK 100 100 100 100 2.3-4.8 6288/8673=60...(36) H VAL 5 + QD2 LEU 29 OK 47 96 50 98 3.6-6.2 8172/1296=52...(16) H LEU 57 - QD2 LEU 29 poor 19 84 35 66 4.6-6.8 8237/1295=11...(17) Violated in 0 structures by 0.00 A. Peak 8694 from cnoeabs.peaks (8.91, 5.66, 53.19 ppm; 4.20 A): 1 out of 3 assignments used, quality = 1.00: H VAL 5 + HA LEU 29 OK 100 100 100 100 2.2-3.2 8172=100, 6053/8173=60...(18) H ARG 19 - HA LEU 29 far 0 97 0 - 6.8-7.7 H LEU 57 - HA LEU 29 far 0 96 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 8696 from cnoeabs.peaks (5.46, 1.60, 32.55 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + HB2 ARG 30 OK 99 99 100 100 3.3-4.8 8698/4.0=84, 8699/1.8=83...(13) Violated in 0 structures by 0.00 A. Peak 8697 from cnoeabs.peaks (6.85, 1.60, 32.55 ppm; 4.78 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + HB2 ARG 30 OK 99 99 100 100 1.9-4.3 8906=65, 8897/3.6=39...(19) QD TYR 41 + HB2 ARG 30 OK 94 94 100 100 2.0-4.0 2.2/8906=59, 8700/1.8=38...(23) Violated in 0 structures by 0.00 A. Peak 8699 from cnoeabs.peaks (5.46, 1.37, 32.55 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + HB3 ARG 30 OK 99 99 100 100 3.0-4.5 8698/6484=87...(17) Violated in 0 structures by 0.00 A. Peak 8700 from cnoeabs.peaks (6.84, 1.37, 32.55 ppm; 4.94 A): 2 out of 3 assignments used, quality = 1.00: QD TYR 41 + HB3 ARG 30 OK 99 99 100 100 2.1-4.1 ~8906=49, ~14624=47...(22) QE TYR 41 + HB3 ARG 30 OK 93 93 100 100 2.0-5.1 8906/1.8=62, 8897/3.6=39...(20) HD21 ASN 60 - HB2 LYS 82 far 0 34 0 - 7.8-9.2 Violated in 0 structures by 0.00 A. Peak 8701 from cnoeabs.peaks (6.14, 1.29, 26.44 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.97: HZ PHE 45 + HG2 ARG 30 OK 97 100 100 97 2.4-4.2 8707/3.0=75...(11) Violated in 0 structures by 0.00 A. Peak 8702 from cnoeabs.peaks (6.44, 1.29, 26.44 ppm; 5.20 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 4 + HG2 ARG 30 OK 90 100 100 90 4.3-5.9 8209/8720=28...(17) QE TYR 4 + HG2 ARG 30 OK 78 99 95 83 5.7-7.2 ~8708=22, 14594=16...(15) Violated in 1 structures by 0.02 A. Peak 8703 from cnoeabs.peaks (6.85, 1.29, 26.44 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + HG2 ARG 30 OK 100 100 100 100 4.0-5.9 8906/2.9=57, 8897/3.0=44...(21) QD TYR 41 + HG2 ARG 30 OK 88 88 100 100 3.0-4.9 ~8906=40, ~14624=38...(26) Violated in 0 structures by 0.00 A. Peak 8704 from cnoeabs.peaks (6.84, 1.53, 26.44 ppm; 5.28 A): 2 out of 7 assignments used, quality = 1.00: QD TYR 41 + HG3 ARG 30 OK 99 99 100 100 4.3-5.8 ~8906=46, ~14624=45...(26) QE TYR 41 + HG3 ARG 30 OK 93 93 100 100 4.5-6.5 8906/2.9=61, 8897/3.0=49...(22) HD1 TRP 92 - HG LEU 57 poor 6 30 20 - 6.6-7.5 HE21 GLN 72 - HG3 ARG 79 far 0 65 0 - 9.4-13.8 HD1 TRP 92 - HG3 ARG 79 far 0 43 0 - 9.5-12.2 HE21 GLN 72 - HG2 ARG 79 far 0 65 0 - 9.6-13.1 HD1 TRP 92 - HG2 ARG 79 far 0 43 0 - 9.6-13.4 Violated in 3 structures by 0.01 A. Peak 8705 from cnoeabs.peaks (7.02, 1.53, 26.44 ppm; 5.23 A): 2 out of 5 assignments used, quality = 0.83: QD PHE 96 + HG2 ARG 79 OK 59 69 100 86 3.6-5.7 9700/3.0=30, ~10912=29...(13) QD PHE 96 + HG3 ARG 79 OK 58 68 100 86 3.2-5.9 9700/3.0=30, ~10912=29...(13) QD PHE 96 - HG LEU 57 far 0 50 0 - 6.9-7.9 QD PHE 96 - HG LEU 2 far 0 51 0 - 8.4-11.1 HE ARG 91 - HG LEU 57 far 0 42 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 8707 from cnoeabs.peaks (6.15, 2.67, 42.61 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.95: HZ PHE 45 + HD2 ARG 30 OK 95 99 100 96 3.2-6.4 8215/8722=66...(7) Violated in 5 structures by 0.10 A. Peak 8708 from cnoeabs.peaks (6.47, 2.67, 42.61 ppm; 6.08 A): 2 out of 2 assignments used, quality = 0.81: QD TYR 4 + HD2 ARG 30 OK 63 70 95 95 4.9-7.7 8209/8722=75, ~8702=29...(12) QE TYR 4 + HD2 ARG 30 OK 49 90 65 84 5.6-8.8 ~8702=34, 8702/3.0=22...(11) Violated in 11 structures by 0.32 A. Peak 8709 from cnoeabs.peaks (6.83, 2.67, 42.61 ppm; 4.49 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HD2 ARG 30 OK 100 100 100 100 3.2-4.8 8710/1.8=39, ~8897=32...(25) QE TYR 41 + HD2 ARG 30 OK 86 87 100 99 2.4-5.4 8710/1.8=38, 8906/3.6=36...(17) Violated in 0 structures by 0.00 A. Peak 8710 from cnoeabs.peaks (6.84, 3.08, 42.61 ppm; 4.45 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HD3 ARG 30 OK 97 98 100 99 3.2-5.6 8709/1.8=40, 2.2/8897=35...(22) QE TYR 41 + HD3 ARG 30 OK 96 97 100 99 2.1-5.7 8906/3.6=41, 8709/1.8=35...(17) Violated in 3 structures by 0.05 A. Peak 8716 from cnoeabs.peaks (0.81, 1.60, 32.55 ppm; 5.16 A): 2 out of 10 assignments used, quality = 0.99: QG2 ILE 7 + HB2 ARG 30 OK 89 97 100 92 5.6-6.4 8256/8696=43...(12) QG2 VAL 32 + HB2 ARG 30 OK 87 93 100 94 3.9-4.8 8910/8906=49...(11) QG2 ILE 15 - HB2 ARG 30 poor 14 100 55 26 6.4-7.2 8736/6493=21...(3) QD2 LEU 38 - HB2 ARG 30 far 10 99 10 - 6.2-9.1 QG2 ILE 8 - HB2 ARG 30 far 0 84 0 - 8.0-9.2 QD2 LEU 57 - HB2 ARG 30 far 0 95 0 - 8.1-9.8 QD1 ILE 76 - HB2 ARG 30 far 0 98 0 - 9.4-11.0 QD1 LEU 70 - HB2 ARG 30 far 0 100 0 - 9.7-13.2 QD2 LEU 2 - HB2 ARG 30 far 0 100 0 - 9.9-14.1 QG2 ILE 52 - HB2 ARG 30 far 0 70 0 - 10.0-13.6 Violated in 0 structures by 0.00 A. Peak 8717 from cnoeabs.peaks (0.69, 1.60, 32.55 ppm; 4.02 A): 2 out of 12 assignments used, quality = 0.99: QD2 LEU 6 + HB2 ARG 30 OK 99 100 100 99 1.8-3.8 10232/4.0=44...(21) QD1 LEU 29 + HB2 ARG 30 OK 50 63 90 87 4.4-6.6 1310/4.0=23, 8718/1.8=22...(18) QD1 ILE 56 - HB2 ARG 30 far 0 95 0 - 5.5-9.7 QG1 VAL 5 - HB2 ARG 30 far 0 65 0 - 6.0-7.3 QG2 VAL 54 - HB2 ARG 30 far 0 65 0 - 7.0-9.7 QD1 ILE 8 - HB2 ARG 30 far 0 93 0 - 7.2-8.3 HG13 ILE 56 - HB2 ARG 30 far 0 87 0 - 7.6-10.5 QD1 LEU 42 - HB2 ARG 30 far 0 100 0 - 8.0-9.4 QG1 VAL 58 - HB2 ARG 30 far 0 77 0 - 8.9-10.0 QD1 ILE 52 - HB2 ARG 30 far 0 100 0 - 8.9-11.8 QD2 LEU 27 - HB2 ARG 30 far 0 59 0 - 9.2-11.5 QD2 LEU 14 - HB2 ARG 30 far 0 94 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 8718 from cnoeabs.peaks (0.69, 1.37, 32.55 ppm; 3.69 A): 3 out of 19 assignments used, quality = 1.00: QD2 LEU 6 + HB3 ARG 30 OK 98 100 100 98 1.8-4.3 8717/1.8=43...(23) QG2 VAL 58 + HB2 LYS 82 OK 59 59 100 100 2.5-3.6 9759/1.8=58...(25) QD1 LEU 29 + HB3 ARG 30 OK 56 73 90 84 4.0-5.9 4.6/6484=35, 8717/1.8=22...(20) QG1 VAL 58 - HB2 LYS 82 poor 14 35 40 - 4.1-5.7 QD1 ILE 56 - HB3 ARG 30 far 0 90 0 - 5.5-9.2 HG13 ILE 56 - HB3 ARG 30 far 0 79 0 - 6.4-9.7 QD1 ILE 8 - HB3 ARG 30 far 0 87 0 - 6.5-7.9 QD1 ILE 8 - HB2 LYS 82 far 0 48 0 - 6.7-8.1 QG2 VAL 54 - HB3 ARG 30 far 0 75 0 - 6.9-8.6 QD1 LEU 42 - HB3 ARG 30 far 0 100 0 - 7.5-8.6 QD1 ILE 56 - HB2 LYS 82 far 0 50 0 - 7.8-10.2 QG1 VAL 58 - HB3 ARG 30 far 0 68 0 - 8.1-9.6 QD1 LEU 14 - HB2 LYS 82 far 0 60 0 - 8.2-8.9 QD2 LEU 14 - HB2 LYS 82 far 0 49 0 - 8.9-9.8 QD1 ILE 52 - HB3 ARG 30 far 0 99 0 - 8.9-11.0 QD2 LEU 14 - HB3 ARG 30 far 0 88 0 - 8.9-9.7 HG13 ILE 56 - HB2 LYS 82 far 0 42 0 - 9.0-11.3 QG2 VAL 78 - HB3 ARG 30 far 0 65 0 - 9.0-11.0 QG2 VAL 78 - HB2 LYS 82 far 0 34 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 8719 from cnoeabs.peaks (0.80, 1.37, 32.55 ppm; 4.99 A): 4 out of 23 assignments used, quality = 1.00: QG2 ILE 7 + HB3 ARG 30 OK 92 100 100 92 5.4-6.1 8256/8699=42...(11) QD1 LEU 6 + HB3 ARG 30 OK 81 82 100 99 1.9-4.1 4.0/8699=48, ~8717=47...(23) QG2 VAL 32 + HB3 ARG 30 OK 62 70 100 89 3.7-4.6 8716/1.8=32...(14) QG1 VAL 54 + HB3 ARG 30 OK 25 65 90 42 5.0-6.9 8721/2.9=12...(9) QD1 LEU 57 - HB2 LYS 82 poor 18 41 95 46 5.9-6.9 9338/4.0=16...(6) QD2 LEU 38 - HB3 ARG 30 far 9 85 10 - 5.5-8.6 QD2 LEU 42 - HB3 ARG 30 poor 7 75 45 20 5.5-7.8 8871/10586=8...(5) QG2 ILE 15 - HB3 ARG 30 far 5 98 5 - 6.4-7.2 QD2 LEU 103 - HB2 LYS 82 far 0 42 0 - 6.8-19.4 QD2 LEU 57 - HB2 LYS 82 far 0 62 0 - 6.9-8.9 QD2 LEU 57 - HB3 ARG 30 far 0 100 0 - 6.9-9.4 QG2 ILE 8 - HB2 LYS 82 far 0 59 0 - 7.5-9.2 QG2 ILE 8 - HB3 ARG 30 far 0 99 0 - 7.8-9.2 QD1 ILE 93 - HB3 ARG 30 far 0 81 0 - 7.9-9.1 QD1 LEU 27 - HB3 ARG 30 far 0 79 0 - 8.7-10.5 QD1 ILE 15 - HB3 ARG 30 far 0 61 0 - 8.8-9.8 QD1 ILE 76 - HB3 ARG 30 far 0 100 0 - 9.0-10.5 QD1 LEU 57 - HB3 ARG 30 far 0 77 0 - 9.2-11.2 QD2 LEU 38 - HB2 LYS 82 far 0 47 0 - 9.2-10.6 QD1 LEU 70 - HB3 ARG 30 far 0 94 0 - 9.5-12.4 QG2 VAL 32 - HB2 LYS 82 far 0 36 0 - 9.7-11.7 QD2 LEU 70 - HB3 ARG 30 far 0 99 0 - 9.8-12.9 QD2 LEU 2 - HB3 ARG 30 far 0 99 0 - 10.0-14.3 Violated in 0 structures by 0.00 A. Peak 8720 from cnoeabs.peaks (0.68, 1.29, 26.44 ppm; 4.40 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + HG2 ARG 30 OK 98 99 100 100 2.2-5.1 8722/3.0=55...(23) QD1 LEU 29 + HG2 ARG 30 OK 73 90 90 91 4.7-6.9 4.6/6485=46, 4.8/8665=30...(15) QD2 LEU 29 + HG2 ARG 30 OK 36 71 55 92 4.6-6.9 4.6/6485=46, 4.8/8665=30...(15) QD1 ILE 56 - HG2 ARG 30 far 0 73 0 - 6.0-9.9 QG2 VAL 54 - HG2 ARG 30 far 0 91 0 - 6.3-8.5 HG13 ILE 56 - HG2 ARG 30 far 0 59 0 - 7.3-11.1 QD1 ILE 52 - HG2 ARG 30 far 0 93 0 - 7.6-9.9 QD1 ILE 8 - HG2 ARG 30 far 0 70 0 - 8.0-9.6 QD1 LEU 42 - HG2 ARG 30 far 0 98 0 - 8.0-9.3 Violated in 1 structures by 0.00 A. Peak 8721 from cnoeabs.peaks (0.77, 1.29, 26.44 ppm; 5.27 A): 2 out of 13 assignments used, quality = 1.00: QD1 LEU 6 + HG2 ARG 30 OK 100 100 100 100 3.3-4.8 ~8722=56, 8214/8701=49...(24) QG1 VAL 54 + HG2 ARG 30 OK 58 100 90 65 4.3-7.1 9229/8701=45...(7) QD2 LEU 42 - HG2 ARG 30 poor 14 100 55 26 5.7-8.2 9009/8701=13...(4) QG2 ILE 7 - HG2 ARG 30 far 0 73 0 - 7.1-7.8 QD2 LEU 57 - HG2 ARG 30 far 0 79 0 - 8.0-10.4 QD1 LEU 27 - HG2 ARG 30 far 0 100 0 - 8.4-9.7 QD1 ILE 76 - HG2 ARG 30 far 0 70 0 - 8.5-10.2 QD2 LEU 27 - HG2 ARG 30 far 0 63 0 - 8.5-10.0 QD1 ILE 93 - HG2 ARG 30 far 0 100 0 - 8.5-9.7 QG1 VAL 78 - HG2 ARG 30 far 0 91 0 - 8.6-10.3 QG2 ILE 93 - HG2 ARG 30 far 0 96 0 - 9.1-10.4 QG2 ILE 8 - HG2 ARG 30 far 0 92 0 - 9.6-10.9 QG2 ILE 52 - HG2 ARG 30 far 0 98 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 8722 from cnoeabs.peaks (0.69, 2.67, 42.61 ppm; 4.59 A): 1 out of 10 assignments used, quality = 0.94: QD2 LEU 6 + HD2 ARG 30 OK 94 100 95 99 3.7-6.3 8717/3.6=44...(19) QD1 LEU 29 - HD2 ARG 30 poor 16 63 25 - 5.1-8.0 QD1 ILE 56 - HD2 ARG 30 far 0 95 0 - 7.6-11.4 QG2 VAL 54 - HD2 ARG 30 far 0 65 0 - 7.8-10.1 QG1 VAL 5 - HD2 ARG 30 far 0 65 0 - 8.0-9.2 QD1 ILE 52 - HD2 ARG 30 far 0 100 0 - 8.6-11.7 QD1 LEU 42 - HD2 ARG 30 far 0 100 0 - 8.6-10.6 QD1 ILE 8 - HD2 ARG 30 far 0 93 0 - 8.6-10.9 HG13 ILE 56 - HD2 ARG 30 far 0 87 0 - 9.2-12.5 QD2 LEU 27 - HD2 ARG 30 far 0 59 0 - 9.9-11.9 Violated in 8 structures by 0.16 A. Peak 8723 from cnoeabs.peaks (0.68, 3.08, 42.61 ppm; 4.98 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + HD3 ARG 30 OK 100 100 100 100 4.0-5.6 8722/1.8=86, 8717/3.6=48...(15) QD1 LEU 29 + HD3 ARG 30 OK 54 82 75 88 5.2-7.6 4.6/1365=44, 8720/3.0=27...(11) QD2 LEU 29 + HD3 ARG 30 OK 26 61 50 84 5.4-8.0 4.6/1365=44...(9) QD1 ILE 56 - HD3 ARG 30 far 0 82 0 - 8.0-11.1 QG2 VAL 54 - HD3 ARG 30 far 0 84 0 - 8.5-11.0 QD1 LEU 42 - HD3 ARG 30 far 0 99 0 - 8.5-10.9 QD1 ILE 8 - HD3 ARG 30 far 0 79 0 - 8.8-10.9 HG13 ILE 56 - HD3 ARG 30 far 0 70 0 - 9.1-13.4 QD1 ILE 52 - HD3 ARG 30 far 0 97 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 8724 from cnoeabs.peaks (0.79, 4.24, 69.49 ppm; 3.73 A): 5 out of 12 assignments used, quality = 1.00: QG2 ILE 7 + HB THR 31 OK 99 100 100 100 2.7-3.8 8282/2.1=81, 8264=47...(21) QG2 ILE 15 + HB THR 31 OK 94 95 100 99 3.5-3.9 10123/2.1=80...(16) QD1 ILE 15 + HB THR 31 OK 64 71 95 94 4.1-5.4 8467/2.1=49, ~10123=35...(11) HG13 ILE 15 + HB THR 31 OK 58 61 100 94 3.2-4.7 ~8467=45, 2.1/8447=43...(12) QG2 VAL 32 + HB THR 31 OK 44 59 100 74 4.3-5.0 4.0/6506=44, 2.1/8728=23...(8) QD1 LEU 6 - HB THR 31 far 4 90 5 - 5.1-7.7 QG2 ILE 8 - HB THR 31 far 0 100 0 - 5.3-6.4 QD2 LEU 38 - HB THR 31 far 0 77 0 - 6.6-8.8 QD2 LEU 57 - HB THR 31 far 0 100 0 - 8.5-10.0 QD1 ILE 93 - HB THR 31 far 0 88 0 - 9.0-10.0 QD2 LEU 42 - HB THR 31 far 0 84 0 - 9.3-11.0 QG1 VAL 54 - HB THR 31 far 0 75 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 8725 from cnoeabs.peaks (0.64, 4.24, 69.49 ppm; 5.02 A): 3 out of 5 assignments used, quality = 0.97: QD1 LEU 29 + HB THR 31 OK 85 99 90 95 5.2-7.1 12049/6500=39...(12) QD2 LEU 29 + HB THR 31 OK 74 100 75 98 5.2-6.8 12050/6500=74...(11) QD1 ILE 7 + HB THR 31 OK 22 87 25 100 6.3-7.4 3.0/8264=71, ~8282=64...(17) QD1 LEU 14 - HB THR 31 far 0 71 0 - 8.5-9.6 QG2 VAL 58 - HB THR 31 far 0 75 0 - 9.8-10.6 Violated in 10 structures by 0.14 A. Peak 8726 from cnoeabs.peaks (1.51, 4.24, 69.49 ppm; 4.59 A): 2 out of 5 assignments used, quality = 0.98: HB ILE 7 + HB THR 31 OK 94 99 95 100 5.3-6.6 8732/2.1=93, 2.1/8264=70...(18) HG3 LYS 33 + HB THR 31 OK 76 100 100 77 4.3-5.8 10146/6506=27...(8) HG2 LYS 33 - HB THR 31 poor 17 63 40 67 5.3-6.3 3.9/8729=23, 3.9/8729=23...(6) HG LEU 6 - HB THR 31 far 0 97 0 - 6.3-9.9 HG3 ARG 30 - HB THR 31 far 0 93 0 - 7.5-8.1 Violated in 19 structures by 0.27 A. Peak 8727 from cnoeabs.peaks (1.72, 4.24, 69.49 ppm; 5.30 A): 4 out of 6 assignments used, quality = 1.00: HB ILE 15 + HB THR 31 OK 97 97 100 100 5.7-6.5 ~10123=86, 8462/2.1=74...(16) HG12 ILE 15 + HB THR 31 OK 90 90 100 100 4.8-6.4 2.1/8447=86, ~8467=82...(16) HD3 LYS 33 + HB THR 31 OK 87 99 100 88 3.2-4.1 3.0/8729=36, 3.0/8729=35...(8) HD2 LYS 33 + HB THR 31 OK 86 99 100 87 3.6-5.0 3.0/8729=36, 3.0/8729=35...(8) HD2 LYS 12 - HB THR 31 far 0 96 0 - 6.9-8.6 HD3 LYS 12 - HB THR 31 far 0 96 0 - 7.3-10.3 Violated in 0 structures by 0.00 A. Peak 8728 from cnoeabs.peaks (1.94, 4.24, 69.49 ppm; 5.24 A): 2 out of 5 assignments used, quality = 0.99: HB VAL 32 + HB THR 31 OK 98 100 100 98 5.5-5.9 6509/6506=87...(8) HB2 LYS 33 + HB THR 31 OK 53 94 75 76 5.8-6.9 2.8/8726=33, 4.8/8729=26...(6) HB3 LYS 33 - HB THR 31 far 0 92 0 - 6.8-7.6 HB3 ARG 19 - HB THR 31 far 0 100 0 - 7.5-10.0 HB3 LEU 14 - HB THR 31 far 0 71 0 - 9.2-10.6 Violated in 15 structures by 0.12 A. Peak 8729 from cnoeabs.peaks (3.03, 4.24, 69.49 ppm; 5.21 A): 2 out of 4 assignments used, quality = 0.96: HE2 LYS 33 + HB THR 31 OK 80 98 100 82 2.0-5.5 8735/2.1=28, 3.9/8726=27...(10) HE3 LYS 33 + HB THR 31 OK 80 98 100 81 3.2-5.8 3.9/8726=27, 8735/2.1=26...(10) HE2 LYS 12 - HB THR 31 far 0 85 0 - 6.8-10.2 HB3 ASP 11 - HB THR 31 far 0 61 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 8730 from cnoeabs.peaks (0.79, 1.14, 22.10 ppm; 2.71 A): 4 out of 15 assignments used, quality = 1.00: QG2 ILE 7 + QG2 THR 31 OK 94 99 100 96 1.7-1.8 8282=62, 2.1/8732=38...(25) QG2 ILE 15 + QG2 THR 31 OK 85 90 100 95 1.6-1.8 10123=69, 3.0/8467=34...(21) QD1 ILE 15 + QG2 THR 31 OK 72 81 100 90 2.9-3.9 8467=41, 3.0/10123=39...(14) HG13 ILE 15 + QG2 THR 31 OK 64 71 100 89 1.9-2.8 2.1/8467=44...(16) QD1 LEU 6 - QG2 THR 31 far 0 95 0 - 4.6-6.6 QG2 ILE 8 - QG2 THR 31 far 0 100 0 - 5.0-6.3 QD2 LEU 57 - QG2 THR 31 far 0 99 0 - 6.1-7.5 QD2 LEU 38 - QG2 THR 31 far 0 68 0 - 6.1-8.5 QD1 ILE 93 - QG2 THR 31 far 0 94 0 - 6.2-7.0 QD1 LEU 57 - QG2 THR 31 far 0 57 0 - 7.8-8.2 QG1 VAL 54 - QG2 THR 31 far 0 84 0 - 7.9-8.9 QG2 ILE 93 - QG2 THR 31 far 0 63 0 - 8.1-9.1 QD2 LEU 42 - QG2 THR 31 far 0 91 0 - 8.2-9.4 QD1 LEU 27 - QG2 THR 31 far 0 93 0 - 9.1-10.0 QD1 LEU 70 - QG2 THR 31 far 0 81 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 8731 from cnoeabs.peaks (0.64, 1.14, 22.10 ppm; 3.17 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 29 + QG2 THR 31 OK 94 100 100 94 2.7-4.1 1297=39, 12050/6501=34...(22) QD1 ILE 7 + QG2 THR 31 OK 91 94 100 97 4.1-4.6 3.0/8282=50, 3.2/8732=40...(22) QD1 LEU 29 + QG2 THR 31 OK 83 96 100 87 2.7-4.3 1305=26, 2.1/1297=25...(17) QD1 LEU 14 - QG2 THR 31 far 0 59 0 - 6.2-6.8 QG2 ILE 56 - QG2 THR 31 far 0 59 0 - 6.3-7.0 QG2 VAL 58 - QG2 THR 31 far 0 63 0 - 7.9-9.0 QG2 VAL 54 - QG2 THR 31 far 0 96 0 - 9.8-10.9 Violated in 9 structures by 0.04 A. Peak 8732 from cnoeabs.peaks (1.52, 1.14, 22.10 ppm; 3.57 A): 1 out of 9 assignments used, quality = 0.99: HB ILE 7 + QG2 THR 31 OK 99 100 100 100 3.0-3.8 2.1/8282=77, 8275=45...(23) HG LEU 6 - QG2 THR 31 far 0 99 0 - 5.4-7.9 HG3 ARG 30 - QG2 THR 31 far 0 97 0 - 5.5-6.2 HG3 LYS 33 - QG2 THR 31 far 0 98 0 - 5.6-6.8 HG2 LYS 33 - QG2 THR 31 far 0 73 0 - 6.4-7.3 HG LEU 57 - QG2 THR 31 far 0 96 0 - 7.8-8.4 HB2 LEU 14 - QG2 THR 31 far 0 100 0 - 7.9-8.3 HG12 ILE 56 - QG2 THR 31 far 0 96 0 - 8.7-10.5 HG3 LYS 13 - QG2 THR 31 far 0 93 0 - 9.3-10.0 Violated in 1 structures by 0.01 A. Peak 8733 from cnoeabs.peaks (1.72, 1.14, 22.10 ppm; 3.85 A): 3 out of 12 assignments used, quality = 1.00: HB ILE 15 + QG2 THR 31 OK 97 97 100 100 3.7-4.0 2.1/10123=89...(15) HG12 ILE 15 + QG2 THR 31 OK 89 90 100 100 3.1-4.0 2.1/8467=82...(16) HD3 LYS 33 + QG2 THR 31 OK 50 99 95 53 4.7-5.4 3.0/8735=14, 3.0/8735=13...(7) HD2 LYS 12 - QG2 THR 31 poor 13 96 30 43 5.1-6.0 10396/8467=29...(3) HD2 LYS 33 - QG2 THR 31 far 10 99 10 - 5.0-5.8 HD3 LYS 12 - QG2 THR 31 far 0 96 0 - 6.0-7.4 HD2 LYS 20 - QG2 THR 31 far 0 61 0 - 7.8-10.4 HD2 LYS 13 - QG2 THR 31 far 0 96 0 - 8.8-10.2 HD3 LYS 13 - QG2 THR 31 far 0 98 0 - 9.2-10.1 HD2 LYS 90 - QG2 THR 31 far 0 87 0 - 9.4-12.3 HB2 GLU 28 - QG2 THR 31 far 0 82 0 - 9.7-10.6 HD3 LYS 90 - QG2 THR 31 far 0 93 0 - 9.9-12.3 Violated in 0 structures by 0.00 A. Peak 8734 from cnoeabs.peaks (1.90, 1.14, 22.10 ppm; 4.40 A): 1 out of 13 assignments used, quality = 0.71: HB2 ARG 19 + QG2 THR 31 OK 71 100 95 75 4.1-6.2 3.0/8512=22...(10) HB3 ARG 19 - QG2 THR 31 poor 17 70 25 - 4.4-6.6 HB2 LYS 12 - QG2 THR 31 far 8 75 10 - 5.9-6.6 HB ILE 8 - QG2 THR 31 far 0 100 0 - 5.9-7.5 HB3 LEU 14 - QG2 THR 31 far 0 100 0 - 6.8-7.4 HB2 LYS 33 - QG2 THR 31 far 0 90 0 - 6.8-7.7 HB3 LYS 12 - QG2 THR 31 far 0 79 0 - 7.0-7.7 HB VAL 5 - QG2 THR 31 far 0 70 0 - 7.1-7.8 HB3 LYS 33 - QG2 THR 31 far 0 92 0 - 7.7-8.3 HB2 LYS 20 - QG2 THR 31 far 0 100 0 - 8.8-10.1 HB2 LYS 13 - QG2 THR 31 far 0 91 0 - 9.4-9.8 HB3 LYS 13 - QG2 THR 31 far 0 93 0 - 9.5-9.8 HB3 LYS 20 - QG2 THR 31 far 0 59 0 - 9.6-10.8 Violated in 18 structures by 0.88 A. Peak 8735 from cnoeabs.peaks (3.03, 1.14, 22.10 ppm; 4.92 A): 3 out of 5 assignments used, quality = 0.95: HE2 LYS 33 + QG2 THR 31 OK 68 100 100 68 3.5-6.3 8729/2.1=35, ~8729=26...(8) HE3 LYS 33 + QG2 THR 31 OK 63 100 95 67 4.6-6.7 8729/2.1=35, ~8729=27...(6) HB2 SER 9 + QG2 THR 31 OK 61 65 100 93 4.9-6.4 4.0/8314=59...(9) HE2 LYS 12 - QG2 THR 31 poor 9 92 35 28 5.5-8.0 10392/8467=18...(3) HB3 ASP 11 - QG2 THR 31 far 0 71 0 - 7.2-8.3 Violated in 0 structures by 0.00 A. Peak 8742 from cnoeabs.peaks (9.11, 1.14, 22.10 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.96: H ARG 30 + QG2 THR 31 OK 96 96 100 100 4.4-5.1 4.6/6501=94, 6482/3.2=43...(14) H VAL 83 - QG2 THR 31 far 0 100 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 8746 from cnoeabs.peaks (1.17, 1.92, 34.35 ppm; 3.42 A): 2 out of 8 assignments used, quality = 1.00: QG2 THR 34 + HB2 LYS 33 OK 96 100 100 97 3.3-3.8 8757=50, 8757/1.8=39...(11) QG2 THR 34 + HB3 LYS 33 OK 96 100 100 97 2.1-2.3 8757=50, 8757/1.8=38...(12) HB2 LEU 6 - HB VAL 32 far 6 63 10 - 4.8-5.6 QG2 THR 31 - HB VAL 32 far 0 45 0 - 5.5-6.4 QG2 THR 34 - HB VAL 32 far 0 65 0 - 5.6-6.2 QG2 THR 31 - HB2 LYS 33 far 0 79 0 - 6.8-7.7 QG2 THR 31 - HB3 LYS 33 far 0 79 0 - 7.7-8.3 HB2 LEU 57 - HB VAL 32 far 0 48 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 8755 from cnoeabs.peaks (1.52, 1.17, 21.62 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.98: HG3 LYS 33 + QG2 THR 34 OK 92 94 100 98 3.2-4.1 1.8/10522=59...(13) HG2 LYS 33 + QG2 THR 34 OK 81 84 100 97 3.6-4.1 10522=51, 4.9/6542=37...(10) HG2 LYS 66 - QG2 THR 34 far 0 75 0 - 6.2-9.7 HG3 LYS 66 - QG2 THR 34 far 0 79 0 - 6.5-8.3 HG LEU 6 - QG2 THR 34 far 0 100 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 8756 from cnoeabs.peaks (1.73, 1.17, 21.62 ppm; 4.35 A): 2 out of 5 assignments used, quality = 1.00: HD2 LYS 33 + QG2 THR 34 OK 97 100 100 97 5.0-5.5 3.0/10522=62...(8) HD3 LYS 33 + QG2 THR 34 OK 97 100 100 97 5.1-5.6 3.0/10522=62...(8) HD3 LYS 66 - QG2 THR 34 far 0 85 0 - 7.6-9.5 HG LEU 70 - QG2 THR 34 far 0 81 0 - 8.8-9.9 HB3 LEU 70 - QG2 THR 34 far 0 99 0 - 9.3-10.6 Violated in 20 structures by 0.33 A. Peak 8757 from cnoeabs.peaks (1.92, 1.17, 21.62 ppm; 3.20 A): 2 out of 5 assignments used, quality = 1.00: HB3 LYS 33 + QG2 THR 34 OK 94 100 100 94 2.1-2.3 8746=41, 2.8/10522=33...(13) HB2 LYS 33 + QG2 THR 34 OK 94 100 100 94 3.3-3.8 8746=41, 2.8/10522=33...(11) HB VAL 32 - QG2 THR 34 far 0 92 0 - 5.6-6.2 HB ILE 8 - QG2 THR 34 far 0 85 0 - 8.1-9.0 HG LEU 42 - QG2 THR 34 far 0 87 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 8758 from cnoeabs.peaks (2.11, 1.17, 21.62 ppm; 4.46 A): 2 out of 4 assignments used, quality = 1.00: HG3 GLU 37 + QG2 THR 34 OK 100 100 100 100 2.0-3.6 1.8/8759=71, 8848=59...(14) HB3 GLU 37 + QG2 THR 34 OK 97 98 100 99 2.4-5.4 8810/6542=64...(10) HB3 GLU 35 - QG2 THR 34 far 4 71 5 - 5.9-6.8 HB3 GLU 62 - QG2 THR 34 far 0 85 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 8759 from cnoeabs.peaks (2.26, 1.17, 21.62 ppm; 4.73 A): 1 out of 4 assignments used, quality = 1.00: HG2 GLU 37 + QG2 THR 34 OK 100 100 100 100 2.0-3.7 8843=86, 8754/6542=69...(10) HG2 GLU 62 - QG2 THR 34 far 0 100 0 - 7.1-10.8 HG3 GLU 62 - QG2 THR 34 far 0 100 0 - 7.4-9.7 HG2 GLU 63 - QG2 THR 34 far 0 70 0 - 7.7-9.8 Violated in 0 structures by 0.00 A. Peak 8760 from cnoeabs.peaks (2.52, 1.17, 21.62 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.99: HB3 ASP 36 + QG2 THR 34 OK 93 96 100 97 4.0-6.0 3.6/8782=67, 4.0/8830=55...(10) HB2 ASP 36 + QG2 THR 34 OK 92 95 100 98 3.7-5.8 3.6/8782=67, 4.0/8830=55...(11) HG3 GLU 63 - QG2 THR 34 far 0 100 0 - 7.5-10.3 Violated in 0 structures by 0.00 A. Peak 8761 from cnoeabs.peaks (3.03, 1.17, 21.62 ppm; 5.41 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 33 + QG2 THR 34 OK 98 99 100 99 5.3-6.7 3.9/10522=73...(7) HE3 LYS 33 + QG2 THR 34 OK 98 99 100 99 5.4-6.7 3.9/10522=73...(7) Violated in 4 structures by 0.01 A. Peak 8765 from cnoeabs.peaks (3.88, 1.17, 21.62 ppm; 6.30 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 35 + QG2 THR 34 OK 99 99 100 100 5.5-5.7 3.0/6548=99, 3.6/8782=95...(12) HA LEU 38 + QG2 THR 34 OK 76 100 100 76 6.3-7.7 8821/8830=33...(5) HA GLU 63 - QG2 THR 34 poor 19 63 30 - 7.5-8.8 HA ALA 67 - QG2 THR 34 far 0 88 0 - 8.5-9.6 HA LYS 40 - QG2 THR 34 far 0 98 0 - 9.2-10.4 Violated in 0 structures by 0.00 A. Peak 8766 from cnoeabs.peaks (7.74, 1.17, 21.62 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: H GLU 37 + QG2 THR 34 OK 100 100 100 100 3.2-4.3 8830=100, 8822/2.1=88...(17) Violated in 0 structures by 0.00 A. Peak 8767 from cnoeabs.peaks (8.19, 1.17, 21.62 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: H ASP 36 + QG2 THR 34 OK 100 100 100 100 4.1-4.4 8782=99, 8794/2.1=94...(10) Violated in 1 structures by 0.00 A. Peak 8768 from cnoeabs.peaks (9.31, 1.17, 21.62 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.99: H LYS 33 + QG2 THR 34 OK 99 99 100 100 3.4-3.8 8745=95, 6530/6542=83...(17) Violated in 0 structures by 0.00 A. Peak 8774 from cnoeabs.peaks (4.59, 3.89, 59.23 ppm; 5.47 A): 1 out of 3 assignments used, quality = 1.00: HB THR 34 + HA GLU 35 OK 100 100 100 100 4.8-5.4 6547/3.0=98, 8794/3.6=90...(10) HA HIS 105 - HA ARG 91 far 0 100 0 - 8.7-21.0 HA ILE 8 - HA GLU 35 far 0 94 0 - 8.8-9.9 Violated in 0 structures by 0.00 A. Peak 8783 from cnoeabs.peaks (1.66, 4.29, 56.96 ppm; 3.57 A): 6 out of 11 assignments used, quality = 1.00: HD2 LYS 39 + HA ASP 36 OK 96 100 100 96 1.9-4.3 3.6/10560=41...(27) HD3 LYS 39 + HA ASP 36 OK 88 92 100 95 1.9-5.0 3.6/10560=41...(26) HB2 LYS 40 + HA ASP 36 OK 46 96 75 64 4.2-5.5 1783/8863=35...(13) HG2 LYS 68 + HA ASP 65 OK 38 40 100 95 3.0-4.9 2.9/3009=31, 2.9/2997=29...(22) HD2 LYS 68 + HA ASP 65 OK 37 46 85 94 3.0-5.7 3.0/10268=28...(24) HD3 LYS 68 + HA ASP 65 OK 34 46 80 94 2.5-5.9 3.0/10268=28...(25) HB3 LYS 40 - HA ASP 36 far 0 90 0 - 5.4-6.3 HG LEU 70 - HA ASP 36 far 0 63 0 - 6.2-7.8 HG LEU 70 - HA ASP 65 far 0 24 0 - 6.9-7.6 HD2 LYS 73 - HA ASP 36 far 0 100 0 - 8.0-10.3 HD3 LYS 73 - HA ASP 36 far 0 100 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 8788 from cnoeabs.peaks (2.87, 4.29, 56.96 ppm; 4.42 A): 4 out of 10 assignments used, quality = 1.00: HE2 LYS 39 + HA ASP 36 OK 98 100 100 98 2.1-5.5 10564=50, 4.9/10560=45...(18) HE3 LYS 39 + HA ASP 36 OK 98 100 100 98 2.0-5.3 10564=50, 4.9/10560=45...(18) HE3 LYS 68 + HA ASP 65 OK 25 26 100 95 2.0-5.6 3.6/10268=42...(20) HE2 LYS 68 + HA ASP 65 OK 21 24 90 95 2.1-6.1 3.6/10268=42...(20) HE3 LYS 66 - HA ASP 65 poor 11 33 35 - 5.1-8.7 HE2 LYS 66 - HA ASP 65 far 0 38 0 - 6.1-8.9 HE3 LYS 82 - HA ASP 65 far 0 41 0 - 6.6-10.9 HE3 LYS 66 - HA ASP 36 far 0 81 0 - 6.7-11.0 HE2 LYS 66 - HA ASP 36 far 0 90 0 - 7.0-11.7 HB2 ASN 60 - HA ASP 65 far 0 40 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 8789 from cnoeabs.peaks (2.10, 2.50, 40.21 ppm; 3.75 A): 8 out of 26 assignments used, quality = 0.99: HG3 GLU 37 + HB2 ASP 36 OK 67 100 85 79 2.7-6.1 1608/4.0=41...(11) HG3 GLU 37 + HB3 ASP 36 OK 59 100 75 79 2.9-6.3 1608/4.0=41...(11) HB2 LEU 64 + HB2 ASP 61 OK 49 93 55 96 4.3-5.9 9449/3.0=61...(19) HG2 GLU 88 + HB2 ASP 87 OK 32 59 90 60 2.9-7.3 3886/4.6=20, 7377/4.0=11...(11) HG2 GLU 88 + HB3 ASP 87 OK 31 59 90 59 3.6-7.2 3886/4.6=20, 7377/4.0=11...(11) HB3 PRO 86 + HB2 ASP 87 OK 26 96 40 68 4.7-6.1 3.9/7384=27...(14) HB3 GLU 37 + HB2 ASP 36 OK 25 92 35 77 4.0-7.1 1594/4.0=39, 3.0/8833=20...(11) HB3 GLU 88 + HB2 ASP 87 OK 21 73 40 73 4.9-7.0 3879/4.6=27...(15) HB3 PRO 86 - HB3 ASP 87 poor 19 96 20 - 4.7-6.0 HB3 GLU 62 - HB2 ASP 61 poor 17 86 25 81 4.9-7.1 7007/7003=57, ~10743=14...(8) HB3 GLU 37 - HB3 ASP 36 far 9 92 10 - 4.7-6.8 HB3 GLU 35 - HB2 ASP 36 far 0 85 0 - 5.4-7.0 HB3 GLU 35 - HB3 ASP 36 far 0 85 0 - 5.4-7.4 HB3 GLU 88 - HB3 ASP 87 far 0 73 0 - 5.5-6.7 HB2 PRO 86 - HB3 ASP 87 far 0 91 0 - 6.0-7.4 HB2 PRO 86 - HB2 ASP 87 far 0 91 0 - 6.1-7.4 HB VAL 83 - HB2 ASP 87 far 0 95 0 - 6.4-8.4 HG3 GLU 104 - HB3 ASP 87 far 0 94 0 - 6.7-23.3 HB3 LEU 38 - HB2 ASP 36 far 0 71 0 - 6.8-8.7 HG3 GLU 104 - HB2 ASP 87 far 0 94 0 - 7.1-21.6 HB VAL 83 - HB3 ASP 87 far 0 95 0 - 7.2-8.1 QE MET 21 - HB3 ASP 87 far 0 95 0 - 7.5-9.5 HB3 LEU 38 - HB3 ASP 36 far 0 71 0 - 7.5-8.7 QE MET 21 - HB2 ASP 87 far 0 95 0 - 7.8-9.9 HG2 GLU 44 - HB3 ASP 36 far 0 79 0 - 9.2-15.2 HG2 GLU 69 - HB2 ASP 61 far 0 81 0 - 9.3-13.1 Violated in 0 structures by 0.00 A. Peak 8790 from cnoeabs.peaks (1.81, 2.50, 40.21 ppm; 4.58 A): 5 out of 16 assignments used, quality = 0.96: HB2 LYS 39 + HB3 ASP 36 OK 53 98 55 98 4.9-7.4 10560/3.0=72...(19) HB2 GLU 88 + HB2 ASP 87 OK 53 96 60 92 4.0-7.2 7393/4.6=59...(14) HB2 LYS 90 + HB3 ASP 87 OK 51 96 55 97 5.1-7.1 9908/3.0=45, ~9910=35...(16) HB2 LYS 39 + HB2 ASP 36 OK 43 99 45 98 5.1-8.0 10560/3.0=72...(19) HB2 GLU 88 + HB3 ASP 87 OK 39 96 45 91 5.1-7.2 7393/4.6=59...(13) HB2 LYS 90 - HB2 ASP 87 poor 19 96 20 - 5.2-7.4 HB3 LYS 90 - HB3 ASP 87 far 0 78 0 - 6.3-7.4 HB3 LYS 90 - HB2 ASP 87 far 0 78 0 - 6.5-8.0 HB3 GLU 63 - HB2 ASP 61 far 0 66 0 - 7.2-9.1 HB2 GLU 104 - HB3 ASP 87 far 0 96 0 - 7.9-22.2 HB2 GLU 104 - HB2 ASP 87 far 0 96 0 - 8.4-21.6 HB2 LYS 68 - HB2 ASP 61 far 0 70 0 - 8.8-11.3 HB ILE 93 - HB3 ASP 87 far 0 95 0 - 8.9-10.3 HB ILE 93 - HB2 ASP 87 far 0 95 0 - 9.1-10.1 HB2 LEU 42 - HB3 ASP 36 far 0 100 0 - 9.4-11.3 HB2 LEU 42 - HB2 ASP 36 far 0 100 0 - 9.8-11.7 Violated in 9 structures by 0.11 A. Peak 8791 from cnoeabs.peaks (1.66, 2.50, 40.21 ppm; 5.09 A): 13 out of 27 assignments used, quality = 1.00: HD2 LYS 39 + HB3 ASP 36 OK 98 100 100 99 3.0-6.3 ~10565=35, 8780/3.6=28...(25) HD2 LYS 39 + HB2 ASP 36 OK 89 100 90 99 3.1-7.0 ~10565=35, 8780/3.6=28...(25) HD3 LYS 39 + HB3 ASP 36 OK 86 92 95 99 4.4-6.7 ~10565=35, ~10562=26...(25) HB3 ARG 91 + HB2 ASP 87 OK 80 84 100 96 4.3-6.3 2.8/4059=25, 2.8/4050=23...(20) HB3 ARG 91 + HB3 ASP 87 OK 76 84 95 96 3.4-6.6 2.8/4050=26, 2.8/4059=25...(20) HB2 LYS 40 + HB2 ASP 36 OK 70 96 100 73 4.5-6.5 1782/8833=30...(16) HB2 LYS 40 + HB3 ASP 36 OK 69 96 100 72 3.8-6.3 1782/8833=30...(16) HD3 LYS 90 + HB3 ASP 87 OK 61 61 100 100 3.4-6.1 ~10316=52, ~9910=44...(21) HD3 LYS 90 + HB2 ASP 87 OK 61 61 100 100 3.7-5.4 ~10316=52, ~9910=44...(20) HD3 LYS 39 + HB2 ASP 36 OK 54 92 60 98 3.1-7.7 ~10565=35, ~10562=26...(25) HB3 LYS 40 + HB3 ASP 36 OK 50 89 80 69 5.1-7.2 1794/8833=28...(16) HB3 LYS 40 + HB2 ASP 36 OK 47 90 75 70 5.6-7.5 1794/8833=28...(16) HG2 PRO 86 + HB2 ASP 87 OK 39 68 80 72 5.4-7.1 3838/4.0=27, ~10967=21...(8) HG2 PRO 86 - HB3 ASP 87 poor 14 68 20 - 5.2-7.0 HD2 LYS 94 - HB3 ASP 87 far 0 57 0 - 7.2-12.7 HD2 LYS 94 - HB2 ASP 87 far 0 57 0 - 7.6-13.3 HD3 LYS 68 - HB2 ASP 61 far 0 92 0 - 7.7-12.0 HD2 LYS 13 - HB3 ASP 87 far 0 53 0 - 8.0-14.0 HD2 LYS 13 - HB2 ASP 87 far 0 53 0 - 8.1-12.8 HG LEU 70 - HB2 ASP 36 far 0 63 0 - 8.2-9.8 HG LEU 70 - HB3 ASP 36 far 0 63 0 - 8.4-10.1 HD2 LYS 68 - HB2 ASP 61 far 0 92 0 - 8.5-11.9 HG2 LYS 68 - HB2 ASP 61 far 0 84 0 - 8.9-12.3 HD2 LYS 20 - HB2 ASP 87 far 0 89 0 - 8.9-14.4 HD2 LYS 73 - HB2 ASP 36 far 0 100 0 - 9.4-12.8 HG3 LYS 20 - HB2 ASP 87 far 0 92 0 - 9.7-14.8 HD2 LYS 73 - HB3 ASP 36 far 0 100 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 8792 from cnoeabs.peaks (1.46, 2.50, 40.21 ppm; 4.91 A): 13 out of 26 assignments used, quality = 1.00: HG3 ARG 91 + HB3 ASP 87 OK 92 94 100 98 2.2-3.9 4059/1.8=30, 1.8/4050=29...(25) HG3 ARG 91 + HB2 ASP 87 OK 91 94 100 98 2.2-3.9 4059/1.8=30, 4059=28...(25) HD2 LYS 82 + HB2 ASP 61 OK 87 94 95 98 4.0-6.7 9766/3.0=68, ~9767=47...(13) HB2 ARG 91 + HB2 ASP 87 OK 77 80 100 97 3.5-5.4 2.8/4059=24, 2.8/4050=22...(24) HB2 ARG 91 + HB3 ASP 87 OK 77 80 100 97 3.5-5.6 2.8/4050=25, 2.8/4059=24...(23) HG3 LYS 39 + HB3 ASP 36 OK 54 91 60 99 5.0-7.8 10565/3.0=45, ~10560=43...(24) HD3 LYS 40 + HB3 ASP 36 OK 47 100 85 55 4.2-8.8 12310/8833=15...(13) HD3 LYS 40 + HB2 ASP 36 OK 45 100 80 57 4.5-9.0 12310/8833=16...(14) HG LEU 64 + HB2 ASP 61 OK 38 85 45 99 5.6-7.7 ~9447=50, 2833/10768=47...(18) HG3 LYS 39 + HB2 ASP 36 OK 31 91 35 99 5.5-8.0 10565/3.0=45, ~10560=43...(24) HB2 LEU 38 + HB2 ASP 36 OK 22 100 30 74 6.2-8.9 8781/3.6=28...(10) HG LEU 38 + HB2 ASP 36 OK 21 100 35 59 5.9-9.8 5.3/8854=19, 8781/3.6=16...(10) HG LEU 38 + HB3 ASP 36 OK 21 100 35 59 5.9-9.6 5.3/8854=19, 8781/3.6=16...(11) HB2 LEU 38 - HB3 ASP 36 far 15 100 15 - 6.3-9.0 HD2 LYS 40 - HB3 ASP 36 poor 13 100 30 43 5.3-8.3 8964/8833=12, ~8802=8...(12) HB3 LEU 64 - HB2 ASP 61 far 11 71 15 - 5.8-7.6 HD2 LYS 40 - HB2 ASP 36 far 10 100 10 - 6.0-8.7 HG2 LYS 66 - HB2 ASP 61 far 0 70 0 - 7.5-11.5 HG3 LYS 66 - HB2 ASP 36 far 0 75 0 - 7.9-11.3 HG3 LYS 66 - HB3 ASP 36 far 0 75 0 - 7.9-12.2 HG2 LYS 66 - HB3 ASP 36 far 0 79 0 - 8.0-13.4 HG2 LYS 66 - HB2 ASP 36 far 0 79 0 - 8.3-12.5 HG3 LYS 66 - HB2 ASP 61 far 0 66 0 - 8.7-12.3 HG LEU 57 - HB2 ASP 87 far 0 53 0 - 9.2-10.6 HG3 LYS 13 - HB2 ASP 87 far 0 61 0 - 9.2-12.4 HG LEU 57 - HB3 ASP 87 far 0 53 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 8793 from cnoeabs.peaks (1.17, 2.50, 40.21 ppm; 5.48 A): 3 out of 7 assignments used, quality = 1.00: QG2 THR 34 + HB2 ASP 36 OK 99 99 100 100 3.7-5.8 8782/3.6=81, 8830/4.0=71...(11) QG2 THR 34 + HB3 ASP 36 OK 99 99 100 100 4.0-6.0 8782/3.6=81, 8830/4.0=71...(10) HG3 LYS 82 + HB2 ASP 61 OK 45 70 65 99 5.6-7.4 ~9766=48, ~9767=46...(20) HG2 LYS 40 - HB3 ASP 36 far 10 99 10 - 6.2-8.9 HG2 LYS 40 - HB2 ASP 36 far 5 99 5 - 6.9-9.0 HB2 LEU 57 - HB2 ASP 87 far 0 72 0 - 9.5-11.1 HB2 LEU 57 - HB3 ASP 87 far 0 72 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 8796 from cnoeabs.peaks (7.57, 2.51, 40.21 ppm; 3.54 A): 2 out of 7 assignments used, quality = 0.99: H GLU 88 + HB2 ASP 87 OK 90 95 100 94 2.2-3.9 4.6=45, 7386/4.0=41...(20) H GLU 88 + HB3 ASP 87 OK 89 95 100 94 2.9-3.9 4.6=45, 7386/4.0=41...(19) H LEU 38 - HB2 ASP 36 poor 18 59 40 77 4.6-6.1 8772/3.6=34, 6576/4.0=26...(12) H LEU 38 - HB3 ASP 36 far 9 59 15 - 4.7-6.2 H LEU 14 - HB2 ASP 87 far 0 86 0 - 9.6-11.1 H LEU 14 - HB3 ASP 87 far 0 86 0 - 9.7-11.4 H GLU 44 - HB3 ASP 36 far 0 75 0 - 9.8-13.0 Violated in 0 structures by 0.00 A. Peak 8797 from cnoeabs.peaks (7.45, 2.51, 40.21 ppm; 4.73 A): 4 out of 6 assignments used, quality = 1.00: H ARG 91 + HB3 ASP 87 OK 81 84 100 96 4.2-5.6 9963/3.0=59...(18) H ARG 91 + HB2 ASP 87 OK 80 84 100 96 4.3-5.4 9963/3.0=59...(19) H ALA 89 + HB2 ASP 87 OK 75 77 100 97 4.6-5.5 7397/4.6=57, 9924/3.0=53...(14) H ALA 89 + HB3 ASP 87 OK 75 77 100 97 4.9-5.5 7397/4.6=57, 9924/3.0=53...(14) HE3 TRP 92 - HB2 ASP 87 far 0 85 0 - 9.0-11.2 HE3 TRP 92 - HB3 ASP 87 far 0 85 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 8798 from cnoeabs.peaks (8.39, 2.51, 40.21 ppm; 4.49 A): 2 out of 6 assignments used, quality = 0.96: H GLU 62 + HB2 ASP 61 OK 90 90 100 100 3.0-4.1 4.4=100 H GLU 63 + HB2 ASP 61 OK 65 93 75 93 5.4-6.4 4.5/7003=56, 9456/3.0=47...(11) H ILE 93 - HB3 ASP 87 far 0 71 0 - 7.7-9.3 H ILE 93 - HB2 ASP 87 far 0 71 0 - 7.8-9.1 H GLU 95 - HB2 ASP 87 far 0 66 0 - 9.5-11.4 H GLU 95 - HB3 ASP 87 far 0 66 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 8799 from cnoeabs.peaks (8.57, 2.51, 40.21 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.94: H ASP 61 + HB2 ASP 61 OK 94 94 100 100 2.2-3.6 4.0=100 H VAL 58 - HB2 ASP 61 far 0 63 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 8800 from cnoeabs.peaks (9.18, 2.51, 40.21 ppm; 5.34 A): 2 out of 4 assignments used, quality = 1.00: H GLU 35 + HB2 ASP 36 OK 100 100 100 100 4.4-5.9 6556/3.6=88, 8803/4.0=60...(12) H GLU 35 + HB3 ASP 36 OK 99 100 100 99 4.3-6.4 6556/3.6=88, 8803/4.0=60...(12) H THR 84 - HB2 ASP 87 far 4 80 5 - 6.8-9.4 H THR 84 - HB3 ASP 87 far 0 80 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 8801 from cnoeabs.peaks (9.56, 2.51, 40.21 ppm; 5.81 A): 0 out of 0 assignments used, quality = 0.00: Peak 8802 from cnoeabs.peaks (1.45, 4.29, 56.96 ppm; 4.51 A): 5 out of 11 assignments used, quality = 1.00: HG3 LYS 39 + HA ASP 36 OK 100 100 100 100 2.8-5.6 3.0/10560=73...(27) HB2 LEU 38 + HA ASP 36 OK 61 99 65 95 5.0-6.8 1633/8949=52...(15) HD3 LYS 40 + HA ASP 36 OK 38 93 70 58 5.2-8.7 6.2/10540=31...(10) HG LEU 64 + HA ASP 65 OK 27 27 100 100 2.8-3.3 ~7052=47, ~2841=45...(32) HG LEU 38 + HA ASP 36 OK 27 98 35 79 4.2-7.9 5.3/10541=36...(15) HD2 LYS 40 - HA ASP 36 far 0 94 0 - 6.5-8.1 HD2 LYS 82 - HA ASP 65 far 0 44 0 - 6.8-9.9 QB ALA 71 - HA ASP 65 far 0 25 0 - 6.8-7.5 HG LEU 38 - HA ASP 65 far 0 44 0 - 7.3-11.2 QB ALA 71 - HA ASP 36 far 0 65 0 - 8.8-10.5 HB2 LEU 38 - HA ASP 65 far 0 46 0 - 9.1-10.7 Violated in 0 structures by 0.00 A. Peak 8806 from cnoeabs.peaks (7.25, 3.71, 58.70 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.99: H THR 34 + HA GLU 37 OK 99 99 100 100 4.8-5.7 8752/3.0=93, 8810/3.0=87...(11) Violated in 12 structures by 0.18 A. Peak 8807 from cnoeabs.peaks (6.83, 3.71, 58.70 ppm; 5.36 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HA GLU 37 OK 100 100 100 100 2.9-4.8 14600/6615=46...(29) QE TYR 41 + HA GLU 37 OK 85 85 100 100 3.1-4.0 8815/1609=46...(24) Violated in 0 structures by 0.00 A. Peak 8808 from cnoeabs.peaks (7.25, 1.98, 30.20 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.99: H THR 34 + HB2 GLU 37 OK 99 99 100 100 2.9-4.6 8752=98, 8810/1.8=76...(13) Violated in 5 structures by 0.09 A. Peak 8809 from cnoeabs.peaks (6.84, 1.98, 30.20 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 41 + HB2 GLU 37 OK 99 99 100 100 2.6-4.1 8815/3.0=51, 8905=48...(20) QD TYR 41 + HB2 GLU 37 OK 94 95 100 100 3.5-5.1 2.2/8905=39...(24) Violated in 0 structures by 0.00 A. Peak 8810 from cnoeabs.peaks (7.25, 2.13, 30.20 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: H THR 34 + HB3 GLU 37 OK 100 100 100 100 2.2-4.5 8752/1.8=89...(15) Violated in 7 structures by 0.14 A. Peak 8811 from cnoeabs.peaks (6.84, 2.13, 30.20 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HB3 GLU 37 OK 98 98 100 100 3.2-5.7 14619/8839=47...(27) QE TYR 41 + HB3 GLU 37 OK 96 96 100 100 2.1-4.9 8815/3.0=57...(22) Violated in 0 structures by 0.00 A. Peak 8812 from cnoeabs.peaks (7.24, 2.26, 36.95 ppm; 4.74 A): 1 out of 3 assignments used, quality = 1.00: H THR 34 + HG2 GLU 37 OK 100 100 100 100 1.7-4.1 8754=99, 8752/3.0=87...(14) H THR 34 - HG2 GLU 62 far 0 72 0 - 8.2-11.9 H THR 34 - HG3 GLU 62 far 0 72 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 8813 from cnoeabs.peaks (6.83, 2.26, 36.95 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.95: QE TYR 41 + HG2 GLU 37 OK 90 92 100 98 3.7-5.9 8815/1.8=53...(21) QD TYR 41 + HG2 GLU 37 OK 49 100 50 99 5.0-7.0 ~8815=39, 14619/10157=34...(23) HD21 ASN 60 - HG2 GLU 62 poor 12 39 55 57 4.5-6.9 9429/2.9=26, 1.7/9432=19...(8) HD21 ASN 60 - HG3 GLU 62 far 4 39 10 - 5.4-8.6 Violated in 17 structures by 0.41 A. Peak 8814 from cnoeabs.peaks (7.24, 2.11, 36.95 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: H THR 34 + HG3 GLU 37 OK 100 100 100 100 1.9-3.5 8754/1.8=85, 8752/3.0=81...(17) Violated in 0 structures by 0.00 A. Peak 8815 from cnoeabs.peaks (6.85, 2.11, 36.95 ppm; 4.44 A): 2 out of 2 assignments used, quality = 0.96: QE TYR 41 + HG3 GLU 37 OK 94 100 95 99 4.6-6.3 8813/1.8=42...(20) QD TYR 41 + HG3 GLU 37 OK 31 88 35 99 4.9-7.0 ~8813=31, 8809/3.0=29...(27) Violated in 18 structures by 0.54 A. Peak 8816 from cnoeabs.peaks (9.32, 2.11, 36.95 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.96: H LYS 33 + HG3 GLU 37 OK 96 96 100 100 2.7-4.0 8817/1.8=77...(16) Violated in 0 structures by 0.00 A. Peak 8817 from cnoeabs.peaks (9.31, 2.26, 36.95 ppm; 4.93 A): 1 out of 3 assignments used, quality = 0.99: H LYS 33 + HG2 GLU 37 OK 99 99 100 100 1.8-4.4 8748=88, 8816/1.8=82...(16) H LYS 33 - HG2 GLU 62 far 0 69 0 - 9.1-12.3 H LYS 33 - HG3 GLU 62 far 0 69 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 8818 from cnoeabs.peaks (9.32, 2.13, 30.20 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.96: H LYS 33 + HB3 GLU 37 OK 96 96 100 100 2.2-4.4 8819/1.8=83...(16) Violated in 0 structures by 0.00 A. Peak 8819 from cnoeabs.peaks (9.32, 1.98, 30.20 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.96: H LYS 33 + HB2 GLU 37 OK 96 96 100 100 2.7-4.4 6530/8752=81...(14) Violated in 0 structures by 0.00 A. Peak 8823 from cnoeabs.peaks (4.42, 1.98, 30.20 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 32 + HB2 GLU 37 OK 99 99 100 100 2.6-4.9 3.2/8836=78...(25) Violated in 1 structures by 0.01 A. Peak 8824 from cnoeabs.peaks (4.42, 2.13, 30.20 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 32 + HB3 GLU 37 OK 100 100 100 100 2.8-5.3 8823/1.8=89, 3.2/8839=84...(25) Violated in 1 structures by 0.01 A. Peak 8826 from cnoeabs.peaks (4.42, 2.26, 36.95 ppm; 5.59 A): 1 out of 3 assignments used, quality = 0.99: HA VAL 32 + HG2 GLU 37 OK 99 99 100 100 3.3-5.7 8827/1.8=85...(26) HA SER 9 - HG2 GLU 62 far 0 70 0 - 8.5-9.3 HA SER 9 - HG3 GLU 62 far 0 70 0 - 8.6-10.9 Violated in 2 structures by 0.01 A. Peak 8827 from cnoeabs.peaks (4.41, 2.11, 36.95 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 32 + HG3 GLU 37 OK 100 100 100 100 3.5-5.3 3.2/8849=78...(27) Violated in 11 structures by 0.06 A. Peak 8833 from cnoeabs.peaks (2.50, 3.71, 58.70 ppm; 4.78 A): 2 out of 5 assignments used, quality = 1.00: HB2 ASP 36 + HA GLU 37 OK 98 100 100 99 4.0-5.6 3.6/8795=46, 1571/3.0=44...(20) HB3 ASP 36 + HA GLU 37 OK 98 100 100 99 4.2-5.6 3.6/8795=46, 1571/3.0=44...(21) HB2 ASP 87 - HA LEU 14 far 0 45 0 - 7.4-9.1 HB3 ASP 87 - HA LEU 14 far 0 45 0 - 7.5-9.4 HD2 ARG 91 - HA LEU 14 far 0 41 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 8834 from cnoeabs.peaks (2.77, 3.71, 58.70 ppm; 5.20 A): 2 out of 3 assignments used, quality = 1.00: HE3 LYS 40 + HA GLU 37 OK 100 100 100 100 4.4-5.9 4.8/1794=68, 4.8/1782=67...(15) HE2 LYS 40 + HA GLU 37 OK 99 100 100 100 4.5-5.9 4.8/1794=68, 4.8/1782=67...(15) HE2 LYS 90 - HA LEU 14 poor 18 24 75 - 5.1-8.0 Violated in 0 structures by 0.00 A. Peak 8835 from cnoeabs.peaks (1.17, 3.71, 58.70 ppm; 4.77 A): 2 out of 6 assignments used, quality = 1.00: HG2 LYS 40 + HA GLU 37 OK 96 96 100 100 4.4-5.8 2.9/1794=85, 2.9/1782=83...(19) QG2 THR 34 + HA GLU 37 OK 95 100 95 100 4.8-6.3 8830/3.0=70...(13) HB2 LEU 57 - HA LEU 14 far 0 36 0 - 7.4-9.2 QG2 THR 31 - HA LEU 14 far 0 26 0 - 7.5-7.9 HB2 LEU 6 - HA GLU 37 far 0 100 0 - 8.6-10.7 QG2 THR 31 - HA GLU 37 far 0 71 0 - 9.1-10.4 Violated in 8 structures by 0.04 A. Peak 8836 from cnoeabs.peaks (0.90, 1.98, 30.20 ppm; 3.79 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 32 + HB2 GLU 37 OK 100 100 100 100 1.7-4.1 8839/1.8=69...(26) HG13 ILE 8 - HB2 GLU 37 far 0 96 0 - 6.0-10.6 Violated in 1 structures by 0.02 A. Peak 8837 from cnoeabs.peaks (0.79, 1.98, 30.20 ppm; 4.14 A): 1 out of 11 assignments used, quality = 0.32: QD2 LEU 38 + HB2 GLU 37 OK 32 73 50 88 3.6-7.4 4.5/1593=42, 8840/1.8=21...(18) QD1 LEU 6 - HB2 GLU 37 poor 8 92 35 25 4.7-7.0 8210/8809=9, 8210/8809=7...(5) QD1 LEU 70 - HB2 GLU 37 far 0 85 0 - 5.9-8.4 QG2 ILE 8 - HB2 GLU 37 far 0 100 0 - 5.9-8.0 QD2 LEU 70 - HB2 GLU 37 far 0 95 0 - 6.1-10.0 QD2 LEU 42 - HB2 GLU 37 far 0 87 0 - 6.6-8.9 QG2 ILE 7 - HB2 GLU 37 far 0 99 0 - 7.5-9.5 QG1 VAL 54 - HB2 GLU 37 far 0 79 0 - 8.4-11.1 QG2 ILE 15 - HB2 GLU 37 far 0 93 0 - 9.3-10.9 QD1 ILE 15 - HB2 GLU 37 far 0 75 0 - 9.5-11.7 QD1 ILE 76 - HB2 GLU 37 far 0 99 0 - 9.6-11.1 Violated in 15 structures by 1.10 A. Peak 8838 from cnoeabs.peaks (1.17, 2.13, 30.20 ppm; 5.74 A): 2 out of 4 assignments used, quality = 1.00: QG2 THR 34 + HB3 GLU 37 OK 100 100 100 100 2.4-5.4 6542/8810=91...(11) HG2 LYS 40 + HB3 GLU 37 OK 44 99 45 100 5.5-8.6 8962/3.0=80, ~1794=62...(18) HB2 LEU 6 - HB3 GLU 37 far 0 99 0 - 7.3-10.8 QG2 THR 31 - HB3 GLU 37 far 0 81 0 - 7.7-9.5 Violated in 0 structures by 0.00 A. Peak 8839 from cnoeabs.peaks (0.90, 2.13, 30.20 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 32 + HB3 GLU 37 OK 100 100 100 100 1.7-4.0 8836/1.8=80...(27) HG13 ILE 8 - HB3 GLU 37 far 0 96 0 - 5.7-10.5 Violated in 1 structures by 0.00 A. Peak 8840 from cnoeabs.peaks (0.81, 2.13, 30.20 ppm; 4.91 A): 2 out of 9 assignments used, quality = 0.99: QD2 LEU 38 + HB3 GLU 37 OK 95 96 100 99 3.3-6.4 8837/1.8=68, 4.5/1600=59...(20) QG2 VAL 32 + HB3 GLU 37 OK 85 85 100 100 3.6-6.2 2.1/8839=93, ~8836=73...(28) QD1 LEU 6 - HB3 GLU 37 poor 18 65 75 36 5.2-7.4 8837/1.8=17, 8210/8811=8...(6) QG2 ILE 8 - HB3 GLU 37 poor 17 92 45 40 5.2-8.3 302/8839=15...(6) QD1 LEU 70 - HB3 GLU 37 poor 15 99 50 30 5.5-9.2 1650/1600=18, 8850/3.0=5...(6) QD2 LEU 70 - HB3 GLU 37 far 0 100 0 - 6.9-9.5 QG2 ILE 7 - HB3 GLU 37 far 0 99 0 - 7.6-10.0 QG2 ILE 15 - HB3 GLU 37 far 0 100 0 - 9.5-11.5 QD1 ILE 76 - HB3 GLU 37 far 0 100 0 - 9.6-11.4 Violated in 1 structures by 0.03 A. Peak 8841 from cnoeabs.peaks (1.68, 2.26, 36.95 ppm; 4.91 A): 3 out of 15 assignments used, quality = 0.86: HB3 LYS 40 + HG2 GLU 37 OK 59 100 60 98 4.8-7.1 1794/1602=76...(14) HD3 LYS 66 + HG3 GLU 62 OK 51 60 100 84 4.0-6.0 1.8/12290=25, ~12300=20...(14) HD3 LYS 66 + HG2 GLU 62 OK 32 60 65 83 5.5-7.1 1.8/12290=25, ~12300=21...(13) HB2 LYS 40 - HG2 GLU 37 poor 14 70 20 - 5.2-7.5 HD3 LYS 39 - HG2 GLU 37 far 0 59 0 - 7.2-10.3 HD2 LYS 39 - HG2 GLU 37 far 0 84 0 - 7.3-9.9 HG LEU 70 - HG3 GLU 62 far 0 63 0 - 7.9-11.4 HG LEU 70 - HG2 GLU 37 far 0 94 0 - 8.5-11.0 HD3 LYS 66 - HG2 GLU 37 far 0 91 0 - 8.5-13.6 HG LEU 70 - HG2 GLU 62 far 0 63 0 - 8.8-12.5 HB3 LEU 70 - HG2 GLU 37 far 0 68 0 - 9.2-11.4 HG2 LYS 68 - HG3 GLU 62 far 0 37 0 - 9.3-12.7 HB3 LEU 6 - HG2 GLU 37 far 0 73 0 - 9.4-12.6 HD3 LYS 68 - HG3 GLU 62 far 0 50 0 - 9.6-13.6 HD2 LYS 68 - HG3 GLU 62 far 0 51 0 - 9.8-13.3 Violated in 2 structures by 0.04 A. Peak 8842 from cnoeabs.peaks (1.46, 2.26, 36.95 ppm; 4.80 A): 6 out of 21 assignments used, quality = 0.97: HG LEU 38 + HG2 GLU 37 OK 48 100 50 97 5.7-9.0 5.3/6583=44, ~8837=40...(17) HB2 LEU 38 + HG2 GLU 37 OK 48 99 50 96 4.1-8.0 3.8/6583=59...(16) HG2 LYS 66 + HG3 GLU 62 OK 47 52 100 89 2.2-4.4 2.9/8841=23...(19) HG2 LYS 66 + HG2 GLU 62 OK 46 52 100 88 3.5-5.6 2.9/12290=20...(18) HG3 LYS 66 + HG3 GLU 62 OK 44 50 100 88 2.1-5.8 2.9/8841=23...(18) HG3 LYS 66 + HG2 GLU 62 OK 37 50 85 87 3.0-6.8 2.9/12290=20...(18) HD3 LYS 40 - HG2 GLU 37 poor 20 100 20 - 4.9-9.7 HD2 LYS 40 - HG2 GLU 37 far 0 100 0 - 6.6-10.0 HG3 LYS 39 - HG2 GLU 37 far 0 88 0 - 6.7-9.9 HG2 LYS 66 - HG2 GLU 37 far 0 82 0 - 7.2-14.1 HD2 LYS 82 - HG2 GLU 62 far 0 72 0 - 7.3-10.8 HG LEU 38 - HG2 GLU 62 far 0 72 0 - 7.4-11.9 HB3 LEU 64 - HG2 GLU 62 far 0 54 0 - 7.5-8.4 HG LEU 38 - HG3 GLU 62 far 0 72 0 - 7.5-11.3 HG3 LYS 66 - HG2 GLU 37 far 0 79 0 - 7.5-12.8 HB3 LEU 64 - HG3 GLU 62 far 0 54 0 - 7.7-8.7 HG LEU 64 - HG2 GLU 62 far 0 65 0 - 7.8-8.8 HG LEU 64 - HG3 GLU 62 far 0 65 0 - 7.8-8.7 HB2 LEU 38 - HG3 GLU 62 far 0 70 0 - 8.3-11.4 HB2 LEU 38 - HG2 GLU 62 far 0 70 0 - 8.4-12.3 HD2 LYS 82 - HG3 GLU 62 far 0 72 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 8843 from cnoeabs.peaks (1.17, 2.26, 36.95 ppm; 4.97 A): 1 out of 8 assignments used, quality = 1.00: QG2 THR 34 + HG2 GLU 37 OK 100 100 100 100 2.0-3.7 8759=100, 6542/8754=73...(10) HG2 LYS 40 - HG2 GLU 37 far 5 99 5 - 6.1-9.6 QG2 THR 34 - HG2 GLU 62 far 0 71 0 - 7.1-10.8 HG3 LYS 82 - HG2 GLU 62 far 0 47 0 - 7.3-10.5 QG2 THR 34 - HG3 GLU 62 far 0 71 0 - 7.4-9.7 QG2 THR 31 - HG2 GLU 37 far 0 81 0 - 7.9-10.1 HB2 LEU 6 - HG2 GLU 37 far 0 99 0 - 8.3-11.2 HG3 LYS 82 - HG3 GLU 62 far 0 47 0 - 8.7-11.2 Violated in 0 structures by 0.00 A. Peak 8844 from cnoeabs.peaks (0.88, 2.26, 36.95 ppm; 4.80 A): 2 out of 11 assignments used, quality = 0.90: QG1 VAL 32 + HG2 GLU 37 OK 85 85 100 100 1.9-4.3 10157=80, 8849/1.8=73...(28) QD1 LEU 38 + HG2 GLU 37 OK 34 90 40 94 4.3-7.1 4.5/6583=52, ~8837=40...(15) HG13 ILE 8 - HG2 GLU 37 poor 8 100 25 33 5.8-8.9 1392/8826=15...(6) QD2 LEU 64 - HG2 GLU 62 far 6 61 10 - 6.0-7.9 QD2 LEU 64 - HG3 GLU 62 far 0 61 0 - 6.4-8.1 QG1 VAL 32 - HG2 GLU 62 far 0 55 0 - 7.0-10.5 QD1 LEU 38 - HG2 GLU 62 far 0 59 0 - 7.1-10.1 QG1 VAL 32 - HG3 GLU 62 far 0 55 0 - 7.3-9.5 QD1 LEU 38 - HG3 GLU 62 far 0 59 0 - 7.4-9.7 HG13 ILE 8 - HG2 GLU 62 far 0 72 0 - 7.5-9.8 HG13 ILE 8 - HG3 GLU 62 far 0 72 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 8845 from cnoeabs.peaks (0.83, 2.26, 36.95 ppm; 4.94 A): 3 out of 22 assignments used, quality = 0.99: QD2 LEU 38 + HG2 GLU 37 OK 92 100 95 97 2.8-6.8 4.5/6583=55, 8850/1.8=34...(15) QG2 VAL 32 + HG2 GLU 37 OK 90 100 90 100 4.5-6.7 2.1/10157=85, ~8849=67...(27) QD1 LEU 38 + HG2 GLU 37 OK 30 70 45 96 4.3-7.1 4.5/6583=55, ~8837=42...(16) QD1 LEU 70 - HG2 GLU 37 poor 16 99 40 42 5.7-8.0 1650/6583=18...(7) QG2 ILE 8 - HG2 GLU 37 poor 12 57 80 25 5.3-8.4 8750/8754=13...(4) QG2 ILE 8 - HG2 GLU 62 poor 9 34 100 25 4.9-6.0 10746/2783=8...(7) QD2 LEU 38 - HG2 GLU 62 poor 8 72 50 22 5.8-9.3 9506/12287=6...(7) QD2 LEU 38 - HG3 GLU 62 poor 7 72 50 20 5.5-9.4 9506/12287=6...(6) QG2 ILE 8 - HG3 GLU 62 lone 5 34 95 14 5.4-6.6 8310/1.8=5, 10745/2766=5...(4) QD2 LEU 70 - HG2 GLU 37 far 5 93 5 - 6.1-10.1 QD2 LEU 64 - HG2 GLU 62 far 4 40 10 - 6.0-7.9 QD2 LEU 64 - HG3 GLU 62 far 2 40 5 - 6.4-8.1 QD2 LEU 70 - HG3 GLU 62 far 0 62 0 - 7.0-9.9 QD1 LEU 38 - HG2 GLU 62 far 0 43 0 - 7.1-10.1 QD1 LEU 70 - HG3 GLU 62 far 0 69 0 - 7.2-10.1 QD1 LEU 38 - HG3 GLU 62 far 0 43 0 - 7.4-9.7 QD1 LEU 70 - HG2 GLU 62 far 0 69 0 - 7.8-11.2 QD2 LEU 70 - HG2 GLU 62 far 0 62 0 - 8.0-11.0 QG2 ILE 7 - HG2 GLU 37 far 0 81 0 - 8.1-10.7 QG2 VAL 32 - HG2 GLU 62 far 0 72 0 - 8.3-10.1 QG2 VAL 32 - HG3 GLU 62 far 0 72 0 - 8.8-10.3 QG2 ILE 15 - HG2 GLU 37 far 0 95 0 - 9.8-11.9 Violated in 4 structures by 0.04 A. Peak 8846 from cnoeabs.peaks (1.67, 2.11, 36.95 ppm; 4.84 A): 2 out of 7 assignments used, quality = 0.94: HB3 LYS 40 + HG3 GLU 37 OK 86 99 90 97 5.3-6.7 1794/1609=75...(12) HB2 LYS 40 + HG3 GLU 37 OK 58 84 80 87 5.6-6.8 1782/1609=59, ~8841=25...(11) HD2 LYS 39 - HG3 GLU 37 far 0 94 0 - 6.7-9.3 HD3 LYS 39 - HG3 GLU 37 far 0 75 0 - 6.7-9.9 HG LEU 70 - HG3 GLU 37 far 0 84 0 - 8.4-10.1 HD3 LYS 66 - HG3 GLU 37 far 0 79 0 - 9.3-12.1 HB3 LEU 6 - HG3 GLU 37 far 0 87 0 - 9.5-12.0 Violated in 20 structures by 0.47 A. Peak 8847 from cnoeabs.peaks (1.46, 2.11, 36.95 ppm; 5.20 A): 3 out of 7 assignments used, quality = 0.91: HB2 LEU 38 + HG3 GLU 37 OK 63 99 65 98 4.1-7.7 3.8/1614=71...(19) HD3 LYS 40 + HG3 GLU 37 OK 58 100 65 90 5.8-8.8 12310/1609=42...(12) HG LEU 38 + HG3 GLU 37 OK 44 100 45 98 5.0-8.6 5.3/1614=53, ~8837=46...(18) HG3 LYS 39 - HG3 GLU 37 far 9 88 10 - 6.5-9.1 HD2 LYS 40 - HG3 GLU 37 far 5 100 5 - 6.7-9.2 HG2 LYS 66 - HG3 GLU 37 far 0 82 0 - 8.0-12.6 HG3 LYS 66 - HG3 GLU 37 far 0 79 0 - 8.3-11.3 Violated in 4 structures by 0.05 A. Peak 8848 from cnoeabs.peaks (1.16, 2.11, 36.95 ppm; 5.27 A): 1 out of 4 assignments used, quality = 0.98: QG2 THR 34 + HG3 GLU 37 OK 98 99 100 100 2.0-3.6 8759/1.8=89...(15) HG2 LYS 40 - HG3 GLU 37 far 0 100 0 - 7.1-8.7 HB2 LEU 6 - HG3 GLU 37 far 0 96 0 - 8.3-10.6 QG2 THR 31 - HG3 GLU 37 far 0 88 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 8849 from cnoeabs.peaks (0.90, 2.11, 36.95 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: QG1 VAL 32 + HG3 GLU 37 OK 100 100 100 100 1.9-3.9 10157/1.8=70...(31) HG13 ILE 8 - HG3 GLU 37 far 0 96 0 - 6.3-8.8 Violated in 0 structures by 0.00 A. Peak 8850 from cnoeabs.peaks (0.81, 2.11, 36.95 ppm; 4.93 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 38 + HG3 GLU 37 OK 92 99 95 99 4.0-6.6 4.5/1614=57, 8837/3.0=51...(20) QG2 VAL 32 + HG3 GLU 37 OK 92 92 100 100 4.1-6.3 2.1/8849=90, ~10157=64...(27) QD1 LEU 70 - HG3 GLU 37 poor 15 100 40 39 5.2-8.3 1650/1614=18...(8) QG2 ILE 8 - HG3 GLU 37 far 9 85 10 - 5.9-7.9 QD2 LEU 70 - HG3 GLU 37 far 0 100 0 - 6.4-9.2 QG2 ILE 7 - HG3 GLU 37 far 0 98 0 - 8.4-10.3 Violated in 8 structures by 0.11 A. Peak 8855 from cnoeabs.peaks (0.73, 3.87, 58.30 ppm; 4.12 A): 2 out of 11 assignments used, quality = 0.91: QD1 ILE 8 + HA LEU 38 OK 79 92 100 86 4.1-5.2 8851/2.9=27...(13) QD2 LEU 42 + HA LEU 38 OK 58 63 100 91 3.4-5.1 8924=17, ~10551=17...(22) HG13 ILE 56 - HA LEU 38 poor 19 96 20 - 5.4-7.5 QD1 ILE 56 - HA LEU 38 poor 14 90 40 39 3.5-7.8 12202/3.0=12, 3.0/9322=6...(13) QG1 VAL 54 - HA LEU 38 far 0 73 0 - 5.8-7.4 QG1 VAL 58 - HA LEU 38 far 0 99 0 - 6.5-7.7 QG1 VAL 78 - HA LEU 38 far 0 96 0 - 6.7-8.2 QG2 VAL 78 - HA LEU 38 far 0 99 0 - 7.1-8.3 QG1 VAL 5 - HA LEU 38 far 0 100 0 - 8.7-9.9 QD1 LEU 64 - HA LEU 38 far 0 98 0 - 9.2-11.4 QD1 ILE 52 - HA LEU 38 far 0 68 0 - 9.6-11.3 Violated in 7 structures by 0.07 A. Peak 8856 from cnoeabs.peaks (0.70, 1.46, 40.84 ppm; 4.41 A): 2 out of 11 assignments used, quality = 1.00: QD1 ILE 8 + HB2 LEU 38 OK 96 100 100 96 3.9-5.9 12201=40, 12202/1.8=39...(22) QD1 LEU 42 + HB2 LEU 38 OK 95 96 100 100 2.3-5.1 8947/1633=42...(35) QD1 ILE 56 - HB2 LEU 38 poor 20 100 40 49 4.4-7.9 12202/1.8=19, ~9322=6...(12) HG13 ILE 56 - HB2 LEU 38 poor 17 99 35 48 4.3-8.9 ~12202=14, 10678/10551=7...(13) QD2 LEU 6 - HB2 LEU 38 poor 10 94 30 34 5.4-8.4 8942/8944=5, 8870/6650=5...(11) QG2 VAL 78 - HB2 LEU 38 far 9 95 10 - 5.6-8.6 QG1 VAL 58 - HB2 LEU 38 far 0 96 0 - 5.9-7.5 QD1 LEU 64 - HB2 LEU 38 far 0 63 0 - 8.2-10.7 QG2 VAL 58 - HB2 LEU 38 far 0 79 0 - 8.3-9.8 QG1 VAL 5 - HB2 LEU 38 far 0 90 0 - 8.9-11.8 QD1 ILE 52 - HB2 LEU 38 far 0 99 0 - 10.0-13.0 Violated in 1 structures by 0.01 A. Peak 8857 from cnoeabs.peaks (0.70, 2.07, 40.84 ppm; 4.68 A): 4 out of 10 assignments used, quality = 1.00: QD1 ILE 8 + HB3 LEU 38 OK 98 100 100 98 2.9-5.6 12202=50, 12201/1.8=38...(26) QD1 LEU 42 + HB3 LEU 38 OK 95 96 100 100 2.0-5.3 8947/6599=55...(33) QD1 ILE 56 + HB3 LEU 38 OK 30 100 55 54 4.2-7.7 12202=24, 8856/1.8=7...(13) HG13 ILE 56 + HB3 LEU 38 OK 20 99 40 51 4.9-7.5 2.1/12202=21, ~9322=7...(12) QG1 VAL 58 - HB3 LEU 38 poor 14 96 40 37 5.4-7.6 9382=12, 10518/10158=9...(9) QD2 LEU 6 - HB3 LEU 38 poor 13 94 40 35 5.2-7.9 8207/14611=6...(11) QG2 VAL 78 - HB3 LEU 38 far 0 95 0 - 6.4-8.3 QG2 VAL 58 - HB3 LEU 38 far 0 79 0 - 7.8-10.0 QD1 LEU 64 - HB3 LEU 38 far 0 63 0 - 8.2-10.2 QG1 VAL 5 - HB3 LEU 38 far 0 90 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 8860 from cnoeabs.peaks (6.83, 3.87, 58.30 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HA LEU 38 OK 99 100 100 99 2.0-4.6 2.5/1890=61, 2.5/1624=60...(24) QE TYR 41 + HA LEU 38 OK 59 81 75 97 3.2-5.8 8910/10162=44...(20) Violated in 7 structures by 0.06 A. Peak 8864 from cnoeabs.peaks (6.83, 1.68, 31.76 ppm; 5.61 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HB3 LYS 40 OK 100 100 100 100 2.0-3.7 4.6/1805=77, 4.6/8914=67...(33) QE TYR 41 + HB3 LYS 40 OK 88 88 100 100 3.2-3.9 6.6/1805=50, 8865/2.9=36...(26) Violated in 0 structures by 0.00 A. Peak 8865 from cnoeabs.peaks (6.83, 1.16, 24.65 ppm; 4.89 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HG2 LYS 40 OK 100 100 100 100 3.0-4.8 3.7/10585=54...(28) QE TYR 41 + HG2 LYS 40 OK 79 81 100 98 3.5-6.1 5.7/10585=38...(21) Violated in 0 structures by 0.00 A. Peak 8866 from cnoeabs.peaks (6.84, 1.47, 28.90 ppm; 5.35 A): 5 out of 6 assignments used, quality = 1.00: QE TYR 41 + HD3 LYS 40 OK 96 98 100 99 3.9-5.6 8865/3.0=31, ~8865=30...(22) QD TYR 41 + HD3 LYS 40 OK 96 97 100 99 2.8-5.4 8865/3.0=39, 8864/3.5=31...(25) QD TYR 41 + HD2 LYS 40 OK 96 97 100 99 1.9-6.0 8865/3.0=39, 8864/3.5=31...(24) QE TYR 41 + HD2 LYS 40 OK 96 98 100 98 2.5-6.7 8865/3.0=31, ~8865=30...(20) HD1 TRP 92 + HB2 ARG 91 OK 26 29 100 89 2.3-3.2 7466/4.3=58...(8) HD21 ASN 60 - HD2 LYS 82 poor 15 75 20 - 6.6-8.9 Violated in 0 structures by 0.00 A. Peak 8867 from cnoeabs.peaks (6.84, 2.77, 41.80 ppm; 4.62 A): 4 out of 4 assignments used, quality = 1.00: QD TYR 41 + HE3 LYS 40 OK 88 97 100 91 3.8-5.6 8865/4.0=26, 2.2/8900=21...(15) QE TYR 41 + HE3 LYS 40 OK 83 98 100 85 3.1-5.6 8900/1.8=21, 8900=21...(13) QE TYR 41 + HE2 LYS 40 OK 79 98 95 85 3.4-6.1 8900/1.8=21, 8900=21...(13) QD TYR 41 + HE2 LYS 40 OK 75 97 85 91 4.4-6.4 8865/4.0=26, 2.2/8900=21...(15) Violated in 0 structures by 0.00 A. Peak 8871 from cnoeabs.peaks (0.78, 3.93, 59.76 ppm; 4.68 A): 2 out of 10 assignments used, quality = 1.00: QD1 LEU 6 + HA TYR 41 OK 99 100 100 100 4.2-5.2 8227/3.0=48, 8228/3.0=42...(20) QD2 LEU 42 + HA TYR 41 OK 98 99 100 100 4.4-5.9 1943/3.6=65...(19) QG1 VAL 54 - HA TYR 41 poor 16 96 35 48 5.7-7.1 9226/8886=20...(6) QD1 ILE 76 - HA TYR 41 far 0 88 0 - 6.4-6.9 QD1 LEU 70 - HA TYR 41 far 0 61 0 - 7.6-10.1 QD2 LEU 70 - HA TYR 41 far 0 77 0 - 7.6-11.3 QG1 VAL 78 - HA TYR 41 far 0 73 0 - 7.6-8.6 QG2 ILE 52 - HA TYR 41 far 0 100 0 - 8.5-10.7 QD2 LEU 2 - HA TYR 41 far 0 75 0 - 9.3-13.1 QG2 ILE 7 - HA TYR 41 far 0 91 0 - 9.8-10.7 Violated in 3 structures by 0.01 A. Peak 8872 from cnoeabs.peaks (0.69, 3.93, 59.76 ppm; 5.04 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 42 + HA TYR 41 OK 100 100 100 100 5.9-6.4 6676/3.6=82...(20) QD2 LEU 6 + HA TYR 41 OK 100 100 100 100 4.3-5.5 8208/8886=44...(21) QG2 VAL 54 - HA TYR 41 far 4 75 5 - 6.5-8.0 QD1 ILE 56 - HA TYR 41 far 0 90 0 - 6.7-9.5 QD1 ILE 52 - HA TYR 41 far 0 99 0 - 7.6-8.7 HG13 ILE 56 - HA TYR 41 far 0 79 0 - 8.4-10.7 QD1 ILE 8 - HA TYR 41 far 0 87 0 - 8.4-9.8 QD1 LEU 29 - HA TYR 41 far 0 73 0 - 8.7-10.9 QG2 VAL 78 - HA TYR 41 far 0 65 0 - 9.1-10.0 Violated in 1 structures by 0.01 A. Peak 8873 from cnoeabs.peaks (0.79, 2.31, 36.90 ppm; 4.03 A): 4 out of 12 assignments used, quality = 1.00: QD1 LEU 6 + HB2 TYR 41 OK 94 95 100 99 1.9-4.0 8228=47, 8227/1.8=43...(23) QD2 LEU 42 + HB2 TYR 41 OK 87 91 100 96 2.7-4.6 1943/4.1=39, 2.1/8874=30...(20) QG1 VAL 54 + HB2 TYR 41 OK 35 84 80 52 4.3-6.2 9229/8890=22...(8) QD2 LEU 38 + HB2 TYR 41 OK 31 68 50 91 3.2-6.7 3.8/1624=43...(13) QD1 LEU 70 - HB2 TYR 41 far 0 81 0 - 5.8-8.4 QD2 LEU 70 - HB2 TYR 41 far 0 92 0 - 5.8-10.0 QD1 ILE 76 - HB2 TYR 41 far 0 98 0 - 6.1-6.7 QG2 ILE 8 - HB2 TYR 41 far 0 100 0 - 7.7-9.1 QG2 ILE 7 - HB2 TYR 41 far 0 99 0 - 8.2-8.9 QG2 ILE 52 - HB2 TYR 41 far 0 99 0 - 9.0-11.3 QD2 LEU 2 - HB2 TYR 41 far 0 91 0 - 9.3-14.0 QD2 LEU 57 - HB2 TYR 41 far 0 99 0 - 9.3-10.1 Violated in 0 structures by 0.00 A. Peak 8874 from cnoeabs.peaks (0.69, 2.31, 36.90 ppm; 4.22 A): 2 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + HB2 TYR 41 OK 99 100 100 100 2.5-4.3 2.1/8228=42, 8207/2.5=42...(21) QD1 LEU 42 + HB2 TYR 41 OK 97 100 100 97 4.2-4.9 6676/4.1=55, 8877/1.8=31...(18) QD1 ILE 56 - HB2 TYR 41 poor 19 95 60 34 4.3-7.6 230/8228=10, 8877/1.8=7...(12) QG2 VAL 54 - HB2 TYR 41 far 3 65 5 - 5.7-7.7 QD1 ILE 8 - HB2 TYR 41 far 0 93 0 - 5.9-7.4 HG13 ILE 56 - HB2 TYR 41 far 0 87 0 - 5.9-8.1 QD1 LEU 29 - HB2 TYR 41 far 0 63 0 - 7.1-9.7 QG2 VAL 78 - HB2 TYR 41 far 0 75 0 - 7.3-8.4 QD1 ILE 52 - HB2 TYR 41 far 0 100 0 - 7.8-9.4 QG1 VAL 5 - HB2 TYR 41 far 0 65 0 - 8.2-9.2 QG1 VAL 58 - HB2 TYR 41 far 0 77 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 8875 from cnoeabs.peaks (0.85, 2.64, 36.90 ppm; 4.78 A): 2 out of 7 assignments used, quality = 0.96: QG2 VAL 32 + HB3 TYR 41 OK 88 90 100 99 3.9-5.4 10162/1890=53...(13) QD1 LEU 38 + HB3 TYR 41 OK 65 100 65 100 4.3-7.2 10548=72, 10549/1.8=64...(17) QD2 LEU 38 - HB3 TYR 41 poor 15 75 20 - 4.3-8.0 QG2 ILE 76 - HB3 TYR 41 far 0 77 0 - 7.1-8.2 QD1 LEU 70 - HB3 TYR 41 far 0 61 0 - 7.2-9.8 HG13 ILE 8 - HB3 TYR 41 far 0 70 0 - 7.6-9.4 QD1 LEU 2 - HB3 TYR 41 far 0 79 0 - 9.5-12.9 Violated in 7 structures by 0.10 A. Peak 8876 from cnoeabs.peaks (0.78, 2.64, 36.90 ppm; 4.12 A): 3 out of 13 assignments used, quality = 1.00: QD1 LEU 6 + HB3 TYR 41 OK 99 100 100 100 2.0-3.5 8227=56, 8228/1.8=43...(29) QD2 LEU 42 + HB3 TYR 41 OK 96 99 100 97 3.1-4.8 1943/4.1=45, 2.1/8877=28...(19) QG1 VAL 54 + HB3 TYR 41 OK 51 96 90 59 4.1-5.8 9229/8889=24...(9) QD1 ILE 76 - HB3 TYR 41 far 0 88 0 - 6.4-7.1 QG1 VAL 78 - HB3 TYR 41 far 0 73 0 - 6.7-7.7 QD1 LEU 70 - HB3 TYR 41 far 0 61 0 - 7.2-9.8 QD2 LEU 70 - HB3 TYR 41 far 0 77 0 - 7.3-11.4 QG2 ILE 7 - HB3 TYR 41 far 0 91 0 - 8.0-9.0 QG2 ILE 52 - HB3 TYR 41 far 0 100 0 - 8.4-10.7 QG2 ILE 8 - HB3 TYR 41 far 0 99 0 - 8.4-10.0 QD2 LEU 2 - HB3 TYR 41 far 0 75 0 - 8.7-12.9 QD2 LEU 57 - HB3 TYR 41 far 0 94 0 - 8.9-10.2 QG2 ILE 15 - HB3 TYR 41 far 0 73 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 8877 from cnoeabs.peaks (0.69, 2.64, 36.90 ppm; 4.42 A): 2 out of 11 assignments used, quality = 1.00: QD2 LEU 6 + HB3 TYR 41 OK 100 100 100 100 2.0-3.3 2.1/8227=52, 8229=50...(27) QD1 LEU 42 + HB3 TYR 41 OK 89 100 90 99 5.2-6.1 6676/4.1=60, 8874/1.8=37...(19) QD1 ILE 56 - HB3 TYR 41 poor 20 95 55 38 4.8-7.7 230/8227=12, 8874/1.8=7...(12) QG2 VAL 54 - HB3 TYR 41 poor 20 65 30 - 5.4-7.2 HG13 ILE 56 - HB3 TYR 41 far 4 87 5 - 5.9-8.6 QD1 ILE 8 - HB3 TYR 41 far 0 93 0 - 6.6-8.4 QD1 LEU 29 - HB3 TYR 41 far 0 63 0 - 6.7-9.0 QD1 ILE 52 - HB3 TYR 41 far 0 100 0 - 7.4-8.7 QG2 VAL 78 - HB3 TYR 41 far 0 75 0 - 7.7-8.9 QG1 VAL 5 - HB3 TYR 41 far 0 65 0 - 7.9-8.5 QG1 VAL 58 - HB3 TYR 41 far 0 77 0 - 8.9-10.3 Violated in 0 structures by 0.00 A. Peak 8878 from cnoeabs.peaks (0.81, 6.83, 131.89 ppm; 4.95 A): 2 out of 12 assignments used, quality = 1.00: QD2 LEU 38 + QD TYR 41 OK 98 99 100 99 4.4-6.4 2.1/12065=45, ~10549=43...(32) QG2 VAL 32 + QD TYR 41 OK 93 94 100 100 2.4-3.5 8910/2.2=87...(33) QD1 LEU 70 - QD TYR 41 far 15 100 15 - 6.4-8.7 QG2 ILE 7 - QD TYR 41 poor 6 96 25 27 6.1-6.9 8716/8697=10...(7) QD2 LEU 70 - QD TYR 41 far 0 100 0 - 6.5-9.7 QG2 ILE 8 - QD TYR 41 far 0 82 0 - 6.7-8.1 QD1 ILE 76 - QD TYR 41 far 0 97 0 - 7.1-7.5 QG2 ILE 15 - QD TYR 41 far 0 100 0 - 7.6-8.5 QD2 LEU 57 - QD TYR 41 far 0 94 0 - 8.1-9.2 QG2 ILE 52 - QD TYR 41 far 0 67 0 - 9.2-11.3 QD2 LEU 2 - QD TYR 41 far 0 100 0 - 9.6-13.0 QD1 LEU 57 - QD TYR 41 far 0 97 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 8879 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 5.74 A): 6 out of 13 assignments used, quality = 1.00: QD2 LEU 6 + QD TYR 41 OK 100 100 100 100 1.9-3.5 8911/2.2=74, 2.1/8210=57...(27) QD1 LEU 42 + QD TYR 41 OK 100 100 100 100 4.8-6.2 6676/4.6=82, 8874/2.5=44...(25) QD1 ILE 8 + QD TYR 41 OK 79 93 100 86 5.4-6.8 8942/14619=23...(21) QD1 ILE 56 + QD TYR 41 OK 40 94 85 49 4.8-7.9 230/8210=14, 8877/2.5=9...(12) QD1 LEU 29 + QD TYR 41 OK 29 63 90 51 5.7-7.6 14628/2.2=16...(10) QG2 VAL 54 + QD TYR 41 OK 21 65 55 58 6.5-8.2 9223/14605=20...(6) HG13 ILE 56 - QD TYR 41 poor 14 86 45 35 5.4-8.9 230/8210=8, ~8877=7...(8) QG1 VAL 5 - QD TYR 41 far 7 65 10 - 7.0-8.0 QG1 VAL 58 - QD TYR 41 far 0 77 0 - 7.4-8.9 QG2 VAL 78 - QD TYR 41 far 0 75 0 - 7.7-9.2 QD1 ILE 52 - QD TYR 41 far 0 100 0 - 8.4-9.4 QD2 LEU 14 - QD TYR 41 far 0 94 0 - 9.6-10.4 QG2 VAL 58 - QD TYR 41 far 0 96 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 8885 from cnoeabs.peaks (6.67, 3.93, 59.76 ppm; 5.73 A): 1 out of 1 assignment used, quality = 0.97: QD PHE 45 + HA TYR 41 OK 97 97 100 100 4.7-5.8 6731/10584=74...(15) Violated in 4 structures by 0.01 A. Peak 8886 from cnoeabs.peaks (6.52, 3.93, 59.76 ppm; 6.07 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 45 + HA TYR 41 OK 99 99 100 100 3.8-4.8 8887/3.0=87, 2.2/8885=86...(16) Violated in 0 structures by 0.00 A. Peak 8887 from cnoeabs.peaks (6.52, 2.31, 36.90 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.97: QE PHE 45 + HB2 TYR 41 OK 97 97 100 100 4.0-5.0 2.2/8890=74, 8888/1.8=61...(17) Violated in 0 structures by 0.00 A. Peak 8888 from cnoeabs.peaks (6.51, 2.64, 36.90 ppm; 5.74 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 45 + HB3 TYR 41 OK 100 100 100 100 3.2-4.2 8887/1.8=92, 2.2/8889=79...(15) Violated in 0 structures by 0.00 A. Peak 8889 from cnoeabs.peaks (6.15, 2.64, 36.90 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.98: HZ PHE 45 + HB3 TYR 41 OK 98 99 100 100 2.9-3.9 8890/1.8=91, 2.2/8888=78...(16) Violated in 0 structures by 0.00 A. Peak 8890 from cnoeabs.peaks (6.14, 2.31, 36.90 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 45 + HB2 TYR 41 OK 100 100 100 100 4.2-5.3 2.2/8887=78, 8889/1.8=64...(13) Violated in 7 structures by 0.03 A. Peak 8891 from cnoeabs.peaks (7.63, 2.31, 36.90 ppm; 5.52 A): 2 out of 2 assignments used, quality = 1.00: H LYS 40 + HB2 TYR 41 OK 100 100 100 100 4.6-5.2 6644/6655=94...(14) H GLU 44 + HB2 TYR 41 OK 62 70 100 89 5.7-6.2 8984/2.5=46, 6702/4.1=41...(10) Violated in 0 structures by 0.00 A. Peak 8892 from cnoeabs.peaks (7.63, 2.64, 36.90 ppm; 5.93 A): 2 out of 2 assignments used, quality = 1.00: H LYS 40 + HB3 TYR 41 OK 100 100 100 100 6.1-6.3 6644/6656=99...(11) H GLU 44 + HB3 TYR 41 OK 75 79 100 95 5.6-6.1 8984/2.5=61, 6702/4.1=55...(10) Violated in 0 structures by 0.00 A. Peak 8893 from cnoeabs.peaks (7.83, 6.83, 131.89 ppm; 6.36 A): 1 out of 3 assignments used, quality = 0.98: H TYR 41 + QD TYR 41 OK 98 98 100 100 1.8-2.9 4.6=100 H SER 9 - QD TYR 41 far 0 88 0 - 9.1-10.3 H GLU 28 - QD TYR 41 far 0 65 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 8894 from cnoeabs.peaks (7.80, 6.85, 118.20 ppm; 5.54 A): 2 out of 3 assignments used, quality = 1.00: HE ARG 30 + QE TYR 41 OK 97 97 100 100 3.0-6.0 2.9/8897=59, 5.0/8906=51...(17) H TYR 41 + QE TYR 41 OK 92 92 100 100 4.0-4.4 6656/4.4=74, 6655/4.4=71...(30) H SER 9 - QE TYR 41 far 0 99 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 8895 from cnoeabs.peaks (3.91, 6.85, 118.20 ppm; 4.64 A): 2 out of 6 assignments used, quality = 0.97: HA TYR 41 + QE TYR 41 OK 90 93 100 98 4.4-4.6 5.7=55, 1876/2.2=52...(16) HA LEU 38 + QE TYR 41 OK 66 69 100 96 3.2-5.8 10162/8910=33...(19) HA GLU 35 - QE TYR 41 far 0 91 0 - 7.3-9.0 HA GLU 44 - QE TYR 41 far 0 79 0 - 8.9-10.0 HA GLU 43 - QE TYR 41 far 0 85 0 - 9.8-10.2 HA GLU 63 - QE TYR 41 far 0 100 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 8896 from cnoeabs.peaks (4.40, 6.85, 118.20 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.99: HA VAL 32 + QE TYR 41 OK 99 99 100 100 1.9-4.4 3.2/8910=80, 3.2/8909=52...(21) Violated in 0 structures by 0.00 A. Peak 8897 from cnoeabs.peaks (3.08, 6.85, 118.20 ppm; 6.27 A): 1 out of 1 assignment used, quality = 1.00: HD3 ARG 30 + QE TYR 41 OK 100 100 100 100 2.1-5.7 3.6/8906=79...(18) Violated in 0 structures by 0.00 A. Peak 8898 from cnoeabs.peaks (2.66, 6.85, 118.20 ppm; 4.95 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 30 + QE TYR 41 OK 95 95 100 100 2.4-5.4 3.6/8906=52, 1.8/8897=49...(18) HB3 TYR 41 + QE TYR 41 OK 93 93 100 100 4.4-4.5 4.4=100 HG3 MET 74 - QE TYR 41 far 0 69 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 8899 from cnoeabs.peaks (2.29, 6.85, 118.20 ppm; 5.38 A): 2 out of 4 assignments used, quality = 0.97: HB2 TYR 41 + QE TYR 41 OK 93 93 100 100 4.4-4.5 4.4=100 HG2 GLU 37 + QE TYR 41 OK 63 63 100 100 3.7-5.9 1.8/8815=73, 3.0/8905=44...(21) HG3 GLU 43 - QE TYR 41 far 0 82 0 - 8.7-9.8 HB2 TYR 4 - QE TYR 41 far 0 100 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 8900 from cnoeabs.peaks (2.78, 6.85, 118.20 ppm; 6.11 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 40 + QE TYR 41 OK 96 98 100 97 3.1-5.6 4.0/8865=28, 8867/2.2=26...(15) HE2 LYS 40 + QE TYR 41 OK 95 98 100 97 3.4-6.1 4.0/8865=28, 4.8/8864=26...(15) Violated in 0 structures by 0.00 A. Peak 8901 from cnoeabs.peaks (3.85, 6.85, 118.20 ppm; 5.69 A): 2 out of 5 assignments used, quality = 0.99: HA LYS 40 + QE TYR 41 OK 93 94 100 99 5.9-6.6 14602/2.2=49, ~14600=44...(20) HA LEU 38 + QE TYR 41 OK 82 82 100 100 3.2-5.8 10162/8910=55...(21) HA ALA 67 - QE TYR 41 far 0 100 0 - 8.1-10.5 HA ARG 19 - QE TYR 41 far 0 63 0 - 9.3-10.9 HA GLU 43 - QE TYR 41 far 0 65 0 - 9.8-10.2 Violated in 0 structures by 0.00 A. Peak 8903 from cnoeabs.peaks (2.02, 6.83, 131.89 ppm; 6.50 A): 4 out of 5 assignments used, quality = 1.00: HB2 GLU 44 + QD TYR 41 OK 94 94 100 99 4.9-7.0 3.9/8984=80, 8988=76...(10) HB3 GLU 44 + QD TYR 41 OK 93 94 100 98 5.0-7.4 1.8/8988=82, 3.9/8984=80...(7) QE MET 74 + QD TYR 41 OK 88 95 100 93 6.7-7.6 9587/4.6=59...(12) HB2 GLU 37 + QD TYR 41 OK 57 57 100 100 3.5-5.1 ~8815=59, 1.8/8811=50...(23) HB2 GLU 35 - QD TYR 41 far 0 99 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 8904 from cnoeabs.peaks (2.10, 6.85, 118.20 ppm; 4.97 A): 3 out of 5 assignments used, quality = 1.00: HG3 GLU 37 + QE TYR 41 OK 100 100 100 100 4.6-6.3 8815=75, 1.8/8813=49...(20) HB3 GLU 37 + QE TYR 41 OK 90 91 100 100 2.1-4.9 3.0/8815=57, 1.8/8905=47...(23) HB3 LEU 38 + QE TYR 41 OK 25 73 35 98 4.3-8.1 10155/8910=36, ~8860=33...(20) HG2 GLU 44 - QE TYR 41 poor 17 77 30 75 5.8-9.1 ~8988=40, 2018/5.7=15...(11) HB3 GLU 35 - QE TYR 41 far 0 87 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 8905 from cnoeabs.peaks (1.97, 6.85, 118.20 ppm; 4.89 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 37 + QE TYR 41 OK 100 100 100 100 2.6-4.1 3.0/8815=56, 8809=50...(19) HB VAL 32 + QE TYR 41 OK 75 75 100 100 4.2-6.4 2.1/8910=94, 3.0/8896=67...(22) HB2 GLU 44 - QE TYR 41 far 0 79 0 - 6.6-9.0 HB3 GLU 44 - QE TYR 41 far 0 79 0 - 7.1-9.2 QE MET 74 - QE TYR 41 far 0 77 0 - 7.9-9.0 HB2 GLU 35 - QE TYR 41 far 0 65 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 8906 from cnoeabs.peaks (1.60, 6.85, 118.20 ppm; 5.51 A): 1 out of 4 assignments used, quality = 1.00: HB2 ARG 30 + QE TYR 41 OK 100 100 100 100 1.9-4.3 6493/8740=55...(19) HG2 ARG 19 - QE TYR 41 far 0 97 0 - 7.9-11.4 HB3 GLU 28 - QE TYR 41 far 0 67 0 - 8.1-9.2 HB3 LEU 29 - QE TYR 41 far 0 100 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 8907 from cnoeabs.peaks (1.50, 6.85, 118.20 ppm; 5.54 A): 5 out of 7 assignments used, quality = 1.00: HG3 LYS 33 + QE TYR 41 OK 92 100 100 92 4.2-6.2 10145/8896=63...(9) HG3 ARG 30 + QE TYR 41 OK 80 80 100 100 4.5-6.5 2.9/8906=71, 3.0/8897=59...(22) HG LEU 6 + QE TYR 41 OK 74 88 85 99 4.2-7.3 2.1/8911=74, ~8207=43...(14) HD3 LYS 40 + QE TYR 41 OK 63 63 100 99 3.9-5.6 ~8865=32, 3.0/8900=31...(23) HD2 LYS 40 + QE TYR 41 OK 61 61 100 99 2.5-6.7 ~8865=32, 3.0/8900=31...(21) HB ILE 7 - QE TYR 41 far 0 92 0 - 7.1-9.0 HG12 ILE 56 - QE TYR 41 far 0 79 0 - 7.4-11.3 Violated in 0 structures by 0.00 A. Peak 8908 from cnoeabs.peaks (1.35, 6.85, 118.20 ppm; 5.84 A): 5 out of 6 assignments used, quality = 1.00: HG3 LYS 40 + QE TYR 41 OK 99 99 100 100 3.4-5.6 8959/2.2=45, 1827/6.6=43...(21) HB3 ARG 30 + QE TYR 41 OK 89 89 100 100 2.0-5.1 1.8/8906=89, 3.6/8897=60...(20) HG12 ILE 8 + QE TYR 41 OK 46 97 55 86 6.4-8.4 10336/8909=35...(11) HG2 LYS 39 + QE TYR 41 OK 36 100 50 72 7.0-10.4 1712/8961=24...(9) QB ALA 67 + QE TYR 41 OK 21 98 35 62 6.1-8.4 10336/8909=26...(9) HB2 LEU 70 - QE TYR 41 far 0 92 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 8909 from cnoeabs.peaks (0.91, 6.85, 118.20 ppm; 4.83 A): 2 out of 4 assignments used, quality = 1.00: QG1 VAL 32 + QE TYR 41 OK 100 100 100 100 2.2-4.6 2.1/8910=93, 3.2/8896=64...(34) HG13 ILE 8 + QE TYR 41 OK 23 94 30 82 5.1-8.4 1410/8910=39...(14) HG13 ILE 7 - QE TYR 41 far 0 98 0 - 9.3-10.5 QG2 ILE 76 - QE TYR 41 far 0 89 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 8910 from cnoeabs.peaks (0.83, 6.85, 118.20 ppm; 3.86 A): 1 out of 9 assignments used, quality = 0.99: QG2 VAL 32 + QE TYR 41 OK 99 100 100 99 1.9-4.1 10152/2.2=43, 10152=43...(27) QD2 LEU 38 - QE TYR 41 far 5 100 5 - 5.3-7.0 QD1 LEU 38 - QE TYR 41 far 4 73 5 - 5.3-7.0 QG2 ILE 7 - QE TYR 41 far 0 77 0 - 5.6-6.7 QG2 ILE 15 - QE TYR 41 far 0 93 0 - 6.7-7.7 QD1 LEU 70 - QE TYR 41 far 0 97 0 - 7.4-9.7 QD2 LEU 70 - QE TYR 41 far 0 91 0 - 7.5-10.5 QD1 ILE 76 - QE TYR 41 far 0 80 0 - 8.7-9.3 QD2 LEU 57 - QE TYR 41 far 0 71 0 - 8.9-10.2 Violated in 3 structures by 0.02 A. Peak 8911 from cnoeabs.peaks (0.70, 6.85, 118.20 ppm; 4.86 A): 2 out of 10 assignments used, quality = 0.97: QD2 LEU 6 + QE TYR 41 OK 96 97 100 99 3.6-4.9 8207/2.2=49, 8207=37...(21) QD1 ILE 8 + QE TYR 41 OK 21 99 30 71 5.1-7.4 326/8909=18, 2.1/8909=14...(14) QD1 ILE 56 - QE TYR 41 far 5 100 5 - 6.0-9.4 QD1 LEU 42 - QE TYR 41 far 5 98 5 - 6.2-7.8 HG13 ILE 56 - QE TYR 41 far 0 97 0 - 6.6-10.6 QG1 VAL 58 - QE TYR 41 far 0 92 0 - 7.3-9.6 QG1 VAL 5 - QE TYR 41 far 0 84 0 - 7.8-8.9 QG2 VAL 78 - QE TYR 41 far 0 91 0 - 9.1-10.9 QD2 LEU 14 - QE TYR 41 far 0 99 0 - 9.3-10.2 QG2 VAL 58 - QE TYR 41 far 0 85 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 8915 from cnoeabs.peaks (1.44, 1.81, 40.51 ppm; 5.03 A): 4 out of 8 assignments used, quality = 1.00: HG13 ILE 76 + HB2 LEU 42 OK 100 100 100 100 4.8-6.1 ~10286=72, ~10599=59...(30) HG3 LYS 39 + HB2 LEU 42 OK 90 100 90 100 4.6-6.6 10568/3.1=75, ~10570=67...(18) QB ALA 71 + HB2 LEU 42 OK 83 85 100 97 4.3-5.1 ~10414=40, 8918/1.8=33...(23) HB2 LEU 38 + HB2 LEU 42 OK 37 92 40 99 5.3-8.1 10551/3.0=33...(32) HG LEU 38 - HB2 LEU 42 far 9 87 10 - 5.8-8.4 HD2 LYS 40 - HB2 LEU 42 far 0 79 0 - 7.6-9.6 HD3 LYS 40 - HB2 LEU 42 far 0 77 0 - 7.7-9.4 HG13 ILE 52 - HB2 LEU 42 far 0 90 0 - 8.7-11.4 Violated in 0 structures by 0.00 A. Peak 8916 from cnoeabs.peaks (2.00, 1.81, 40.51 ppm; 4.43 A): 2 out of 7 assignments used, quality = 1.00: QE MET 74 + HB2 LEU 42 OK 100 100 100 100 2.6-3.6 9605/3.1=74...(37) HB3 MET 74 + HB2 LEU 42 OK 54 57 100 94 3.1-5.3 10339/1.8=25, ~9615=25...(23) HB2 ARG 46 - HB2 LEU 42 poor 13 81 35 44 4.7-7.8 ~1921=9, 10339/1.8=8...(13) HB2 GLU 44 - HB2 LEU 42 far 0 100 0 - 6.5-8.4 HB3 GLU 44 - HB2 LEU 42 far 0 100 0 - 6.6-8.5 HB2 GLU 37 - HB2 LEU 42 far 0 85 0 - 8.6-10.7 HB2 LYS 47 - HB2 LEU 42 far 0 70 0 - 8.8-11.8 Violated in 0 structures by 0.00 A. Peak 8917 from cnoeabs.peaks (2.62, 1.81, 40.51 ppm; 6.06 A): 2 out of 3 assignments used, quality = 1.00: HG3 MET 74 + HB2 LEU 42 OK 100 100 100 100 1.9-4.5 ~9605=61, ~9615=58...(25) HB3 TYR 41 + HB2 LEU 42 OK 93 93 100 100 5.8-6.4 4.1/6673=95, 8919/1.8=43...(18) HB3 ASP 77 - HB2 LEU 42 far 0 96 0 - 8.8-11.9 Violated in 0 structures by 0.00 A. Peak 8918 from cnoeabs.peaks (1.43, 1.30, 40.51 ppm; 5.10 A): 3 out of 10 assignments used, quality = 1.00: HG13 ILE 76 + HB3 LEU 42 OK 100 100 100 100 4.1-4.9 2.1/10286=88...(35) QB ALA 71 + HB3 LEU 42 OK 91 92 100 99 3.6-4.6 ~10414=41...(23) HG3 LYS 39 + HB3 LEU 42 OK 25 99 25 100 6.3-8.3 10568/3.1=75, ~10570=69...(15) HB2 LEU 38 - HB3 LEU 42 far 13 85 15 - 6.1-8.7 HG LEU 38 - HB3 LEU 42 far 4 79 5 - 6.3-9.2 HG13 ILE 52 - HB3 LEU 42 far 0 82 0 - 7.1-10.2 HD3 LYS 40 - HB3 LEU 42 far 0 68 0 - 8.6-10.8 HD2 LYS 40 - HB3 LEU 42 far 0 70 0 - 8.8-11.1 HD2 LYS 53 - HB3 LEU 42 far 0 79 0 - 9.7-12.0 HG2 LYS 53 - HB3 LEU 42 far 0 71 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 8919 from cnoeabs.peaks (2.63, 1.30, 40.51 ppm; 5.57 A): 2 out of 3 assignments used, quality = 1.00: HB3 TYR 41 + HB3 LEU 42 OK 100 100 100 100 5.9-6.8 4.1/6674=84, 8877/3.1=37...(18) HG3 MET 74 + HB3 LEU 42 OK 98 99 100 100 2.6-4.5 ~9605=51, ~9615=51...(23) HB3 ASP 77 - HB3 LEU 42 far 0 100 0 - 7.1-10.2 Violated in 0 structures by 0.00 A. Peak 8920 from cnoeabs.peaks (1.47, 1.90, 26.36 ppm; 4.88 A): 3 out of 11 assignments used, quality = 1.00: HB2 LEU 38 + HG LEU 42 OK 98 99 100 100 3.7-6.2 12083/2.1=45...(34) HG LEU 38 + HG LEU 42 OK 83 100 85 98 4.1-6.7 2.1/12068=51...(23) HG3 LYS 39 + HG LEU 42 OK 47 85 55 100 4.3-7.0 ~10570=79, 10568/2.1=67...(21) HD2 LYS 40 - HG LEU 42 far 0 100 0 - 6.9-10.0 HD3 LYS 40 - HG LEU 42 far 0 100 0 - 6.9-9.3 HG13 ILE 76 - HG LEU 42 far 0 77 0 - 7.1-7.8 HG3 LYS 66 - HG LEU 42 far 0 82 0 - 8.7-12.8 HG13 ILE 52 - HG LEU 42 far 0 99 0 - 9.0-12.0 HG2 LYS 73 - HG LEU 42 far 0 84 0 - 9.0-11.8 HG2 LYS 47 - HG LEU 42 far 0 85 0 - 9.6-13.8 HG2 LYS 66 - HG LEU 42 far 0 85 0 - 10.0-13.1 Violated in 5 structures by 0.09 A. Peak 8921 from cnoeabs.peaks (0.85, 1.90, 26.36 ppm; 4.06 A): 4 out of 7 assignments used, quality = 0.99: QD1 LEU 38 + HG LEU 42 OK 97 100 100 97 2.4-5.2 12068=54, 3.1/10551=22...(29) QD1 LEU 70 + HG LEU 42 OK 33 61 65 83 4.0-7.3 ~9544=36, ~9543=36...(14) QG2 ILE 76 + HG LEU 42 OK 27 77 35 99 5.0-6.6 10883/3.0=34, ~10599=33...(31) QD2 LEU 38 + HG LEU 42 OK 21 75 30 93 3.1-6.4 2.1/12068=42...(23) QG2 VAL 32 - HG LEU 42 poor 18 90 60 34 5.1-6.3 ~8942=11, 1632/10551=6...(8) HG13 ILE 8 - HG LEU 42 far 0 70 0 - 7.9-9.9 QD1 LEU 57 - HG LEU 42 far 0 84 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 8922 from cnoeabs.peaks (0.87, 1.81, 40.51 ppm; 5.26 A): 2 out of 5 assignments used, quality = 1.00: QG2 ILE 76 + HB2 LEU 42 OK 97 97 100 100 3.7-5.2 10883/1.8=87, ~10286=62...(35) QD1 LEU 38 + HB2 LEU 42 OK 93 99 95 99 4.2-7.0 12068/3.0=49...(28) QG1 VAL 32 - HB2 LEU 42 far 3 61 5 - 6.7-8.2 QG2 VAL 32 - HB2 LEU 42 far 0 61 0 - 7.2-8.3 QD1 LEU 2 - HB2 LEU 42 far 0 98 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 8923 from cnoeabs.peaks (2.98, 0.77, 21.93 ppm; 4.91 A): 2 out of 5 assignments used, quality = 1.00: HB3 PHE 45 + QD2 LEU 42 OK 98 99 100 99 4.0-6.1 2.5/10600=93...(14) HB2 PHE 45 + QD2 LEU 42 OK 98 99 100 99 4.1-5.9 2.5/10600=93...(14) HE2 LYS 73 - QD2 LEU 42 far 0 87 0 - 7.8-12.3 HE3 LYS 73 - QD2 LEU 42 far 0 79 0 - 8.6-11.8 HE3 LYS 47 - QD2 LEU 42 far 0 100 0 - 9.5-12.4 Violated in 0 structures by 0.00 A. Peak 8924 from cnoeabs.peaks (3.85, 0.77, 21.93 ppm; 4.08 A): 3 out of 8 assignments used, quality = 0.99: HA ALA 71 + QD2 LEU 42 OK 90 100 100 91 3.0-4.4 ~10414=32, 2.1/12176=17...(21) HA LEU 38 + QD2 LEU 42 OK 86 91 100 95 3.4-5.1 3.0/12083=31...(24) HA ALA 67 + QD2 LEU 42 OK 58 100 90 65 4.0-5.8 2.1/1946=21, ~1930=13...(15) HA GLU 43 - QD2 LEU 42 far 0 77 0 - 5.8-6.1 HA LYS 40 - QD2 LEU 42 far 0 98 0 - 5.8-7.3 HA GLU 35 - QD2 LEU 42 far 0 70 0 - 6.5-8.5 HB3 SER 49 - QD2 LEU 42 far 0 100 0 - 7.6-11.4 HA2 GLY 101 - QD2 LEU 42 far 0 98 0 - 9.5-15.6 Violated in 0 structures by 0.00 A. Peak 8927 from cnoeabs.peaks (6.54, 3.70, 58.24 ppm; 5.99 A): 1 out of 1 assignment used, quality = 0.84: QE PHE 45 + HA LEU 42 OK 84 84 100 100 2.9-4.1 2.2/8928=100...(18) Violated in 0 structures by 0.00 A. Peak 8928 from cnoeabs.peaks (6.67, 3.70, 58.24 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.95: QD PHE 45 + HA LEU 42 OK 95 95 100 100 2.0-3.1 10600/1944=61...(22) Violated in 0 structures by 0.00 A. Peak 8933 from cnoeabs.peaks (3.72, 0.86, 23.57 ppm; 5.62 A): 2 out of 3 assignments used, quality = 0.99: HA GLU 37 + QD1 LEU 38 OK 97 97 100 100 5.2-6.2 3.6/1658=82, ~8837=53...(17) HA LEU 42 + QD1 LEU 38 OK 83 94 95 93 5.0-7.6 4.3/12068=44...(11) HA LEU 64 - QD1 LEU 38 poor 15 81 70 27 4.8-7.6 7099/9530=10...(5) Violated in 1 structures by 0.00 A. Peak 8934 from cnoeabs.peaks (3.86, 0.91, 23.40 ppm; 3.43 A): 2 out of 6 assignments used, quality = 0.99: HA LEU 38 + QG1 VAL 32 OK 97 98 100 99 1.9-2.8 2.9/8932=56...(30) HA GLU 35 + QG1 VAL 32 OK 51 85 100 60 3.8-4.3 12057/8932=30...(11) HA ALA 67 - QG1 VAL 32 poor 16 99 25 63 4.7-6.4 2.1/10336=23, ~10338=12...(15) HA LYS 40 - QG1 VAL 32 far 0 100 0 - 6.8-7.6 HA ALA 71 - QG1 VAL 32 far 0 96 0 - 8.2-9.6 HA GLU 43 - QG1 VAL 32 far 0 91 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 8935 from cnoeabs.peaks (3.70, 0.91, 23.40 ppm; 5.10 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 37 + QG1 VAL 32 OK 100 100 100 100 3.6-4.7 3.0/8836=88, 3.6/8932=87...(26) HA LEU 42 - QG1 VAL 32 far 0 100 0 - 7.0-8.3 HB THR 80 - QG1 VAL 32 far 0 85 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 8936 from cnoeabs.peaks (7.72, 0.91, 23.40 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.93: H GLU 37 + QG1 VAL 32 OK 93 93 100 100 3.4-4.2 8831=90, 6579/8932=79...(21) H LEU 64 - QG1 VAL 32 far 0 100 0 - 7.5-9.4 H ASN 60 - QG1 VAL 32 far 0 99 0 - 8.5-10.0 Violated in 0 structures by 0.00 A. Peak 8937 from cnoeabs.peaks (7.54, 0.91, 23.40 ppm; 3.58 A): 1 out of 1 assignment used, quality = 0.99: H LEU 38 + QG1 VAL 32 OK 99 99 100 100 2.1-2.8 8932=98, 6576/8831=41...(27) Violated in 0 structures by 0.00 A. Peak 8938 from cnoeabs.peaks (7.24, 0.91, 23.40 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: H THR 34 + QG1 VAL 32 OK 100 100 100 100 2.0-2.8 8749=100, 6530/1406=55...(21) Violated in 0 structures by 0.00 A. Peak 8939 from cnoeabs.peaks (6.83, 0.91, 23.40 ppm; 3.92 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + QG1 VAL 32 OK 100 100 100 100 3.1-4.4 10152/2.1=44, ~8910=43...(41) QE TYR 41 + QG1 VAL 32 OK 77 77 100 100 2.2-4.6 8910/2.1=53...(30) Violated in 1 structures by 0.00 A. Peak 8942 from cnoeabs.peaks (0.67, 0.91, 23.40 ppm; 3.83 A): 3 out of 10 assignments used, quality = 0.84: QD1 ILE 8 + QG1 VAL 32 OK 59 59 100 99 2.2-4.1 ~12204=42, ~12203=40...(31) QD2 LEU 6 + QG1 VAL 32 OK 44 96 50 91 3.6-5.8 ~10160=31, 3.1/8943=25...(18) QD1 LEU 42 + QG1 VAL 32 OK 30 94 65 49 4.4-5.7 8851/8932=10...(11) QD1 ILE 56 - QG1 VAL 32 far 10 63 15 - 3.6-6.9 QG2 VAL 58 - QG1 VAL 32 far 0 100 0 - 6.8-8.0 QD1 LEU 29 - QG1 VAL 32 far 0 95 0 - 6.8-8.7 QD2 LEU 29 - QG1 VAL 32 far 0 81 0 - 7.0-8.7 QG2 VAL 54 - QG1 VAL 32 far 0 96 0 - 8.1-9.3 QD2 LEU 14 - QG1 VAL 32 far 0 61 0 - 8.1-8.8 QD1 LEU 14 - QG1 VAL 32 far 0 100 0 - 9.5-10.3 Violated in 1 structures by 0.00 A. Peak 8943 from cnoeabs.peaks (1.16, 0.91, 23.40 ppm; 4.04 A): 2 out of 5 assignments used, quality = 0.99: QG2 THR 34 + QG1 VAL 32 OK 94 96 100 97 4.0-4.5 6542/8749=64...(12) HB2 LEU 6 + QG1 VAL 32 OK 85 92 95 97 4.4-5.5 10337/2.1=53, ~10160=51...(14) QG2 THR 31 - QG1 VAL 32 far 0 93 0 - 5.7-6.3 HG2 LYS 40 - QG1 VAL 32 far 0 100 0 - 6.4-8.1 HB2 LEU 57 - QG1 VAL 32 far 0 65 0 - 9.4-10.6 Violated in 7 structures by 0.03 A. Peak 8944 from cnoeabs.peaks (1.46, 0.91, 23.40 ppm; 3.19 A): 2 out of 11 assignments used, quality = 1.00: HB2 LEU 38 + QG1 VAL 32 OK 96 100 100 96 2.7-3.5 1626/8932=37...(33) HG LEU 38 + QG1 VAL 32 OK 92 100 100 92 2.1-4.0 2.1/1405=27, 3.7/8934=22...(27) HG2 LYS 66 - QG1 VAL 32 far 0 68 0 - 5.3-9.3 HG3 LYS 66 - QG1 VAL 32 far 0 63 0 - 5.4-8.3 HD2 LYS 40 - QG1 VAL 32 far 0 99 0 - 5.5-8.9 HG3 LYS 39 - QG1 VAL 32 far 0 96 0 - 5.8-7.5 HD3 LYS 40 - QG1 VAL 32 far 0 99 0 - 6.6-8.1 HG12 ILE 7 - QG1 VAL 32 far 0 73 0 - 7.9-9.3 HG LEU 29 - QG1 VAL 32 far 0 91 0 - 8.4-10.5 HB3 LEU 64 - QG1 VAL 32 far 0 70 0 - 8.6-10.6 HG LEU 64 - QG1 VAL 32 far 0 87 0 - 9.3-11.4 Violated in 1 structures by 0.00 A. Peak 8945 from cnoeabs.peaks (1.58, 0.91, 23.40 ppm; 4.42 A): 2 out of 3 assignments used, quality = 0.84: HG2 LYS 33 + QG1 VAL 32 OK 75 77 100 97 5.0-5.6 4.9/8749=52...(12) HB2 ARG 30 + QG1 VAL 32 OK 38 85 55 80 5.4-6.5 14624/14629=25...(14) HD2 LYS 66 - QG1 VAL 32 far 0 88 0 - 7.1-9.6 Violated in 20 structures by 0.48 A. Peak 8946 from cnoeabs.peaks (1.68, 0.91, 23.40 ppm; 4.40 A): 2 out of 10 assignments used, quality = 0.91: HB3 LYS 40 + QG1 VAL 32 OK 86 100 100 86 4.9-5.8 1794/8935=46...(9) HB3 LEU 6 + QG1 VAL 32 OK 38 77 50 99 5.5-6.7 10160/2.1=70, ~10337=45...(15) HB2 LYS 40 - QG1 VAL 32 poor 18 73 25 - 5.7-6.7 HG LEU 70 - QG1 VAL 32 far 0 92 0 - 6.1-7.3 HD3 LYS 39 - QG1 VAL 32 far 0 63 0 - 6.3-8.3 HD2 LYS 39 - QG1 VAL 32 far 0 87 0 - 6.5-7.8 HD3 LYS 66 - QG1 VAL 32 far 0 88 0 - 6.6-9.1 HB3 LEU 70 - QG1 VAL 32 far 0 63 0 - 6.7-7.7 HG12 ILE 15 - QG1 VAL 32 far 0 96 0 - 8.5-9.6 HG2 LYS 68 - QG1 VAL 32 far 0 65 0 - 9.9-12.0 Violated in 20 structures by 0.56 A. Peak 8950 from cnoeabs.peaks (3.86, 3.61, 60.29 ppm; 4.84 A): 5 out of 6 assignments used, quality = 1.00: HA LYS 40 + HA LYS 39 OK 100 100 100 100 4.7-4.9 3.6/6643=53, ~6618=46...(25) HA LEU 38 + HA LYS 39 OK 98 98 100 100 4.7-4.9 2.9/10547=60, ~6591=46...(27) HA GLU 43 + HA LYS 39 OK 76 91 90 93 5.3-6.5 2.9/6681=71...(12) HA ALA 71 + HA LYS 39 OK 71 96 100 74 4.1-5.2 12173/9609=40...(10) HA ALA 67 + HA LYS 39 OK 66 99 90 74 5.0-7.0 9541/10822=27...(16) HA GLU 35 - HA LYS 39 poor 16 85 25 77 5.9-6.9 12057/10547=36...(10) Violated in 0 structures by 0.00 A. Peak 8951 from cnoeabs.peaks (2.00, 3.61, 60.29 ppm; 4.39 A): 1 out of 6 assignments used, quality = 1.00: QE MET 74 + HA LYS 39 OK 100 100 100 100 1.8-3.3 9609=100, 12073/3.9=55...(30) HB2 ARG 46 - HA LYS 39 far 0 79 0 - 6.9-10.2 HB2 GLU 37 - HA LYS 39 far 0 84 0 - 7.5-8.6 HB2 GLU 44 - HA LYS 39 far 0 100 0 - 7.8-10.3 HB2 GLU 35 - HA LYS 39 far 0 100 0 - 7.8-8.8 HB3 GLU 44 - HA LYS 39 far 0 100 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 8952 from cnoeabs.peaks (0.81, 3.61, 60.29 ppm; 3.56 A): 3 out of 8 assignments used, quality = 0.99: QD1 LEU 70 + HA LYS 39 OK 96 100 100 97 2.6-4.9 2.1/10822=55...(38) QD1 ILE 76 + HA LYS 39 OK 59 99 95 62 4.0-5.1 10286/1679=30...(10) QD2 LEU 70 + HA LYS 39 OK 48 100 50 96 2.7-5.9 10822=67, 3.1/1670=22...(35) QD2 LEU 38 - HA LYS 39 far 15 98 15 - 4.4-6.1 QD1 LEU 6 - HA LYS 39 far 0 59 0 - 5.3-8.5 QG2 VAL 32 - HA LYS 39 far 0 90 0 - 6.2-7.5 QG2 ILE 8 - HA LYS 39 far 0 88 0 - 9.3-10.3 QG2 ILE 52 - HA LYS 39 far 0 75 0 - 9.3-12.1 Violated in 2 structures by 0.01 A. Peak 8953 from cnoeabs.peaks (0.70, 3.61, 60.29 ppm; 3.85 A): 1 out of 8 assignments used, quality = 0.98: QD1 LEU 42 + HA LYS 39 OK 98 98 100 100 1.8-2.3 8966=57, 3.1/1679=49...(24) QD1 ILE 56 - HA LYS 39 far 0 100 0 - 5.9-7.9 QG2 VAL 78 - HA LYS 39 far 0 91 0 - 6.1-7.6 QD2 LEU 6 - HA LYS 39 far 0 97 0 - 6.4-8.3 QD1 ILE 8 - HA LYS 39 far 0 99 0 - 7.2-8.3 HG13 ILE 56 - HA LYS 39 far 0 97 0 - 7.3-8.8 QD1 ILE 52 - HA LYS 39 far 0 100 0 - 8.7-10.1 QG1 VAL 58 - HA LYS 39 far 0 92 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 8956 from cnoeabs.peaks (0.80, 1.80, 32.18 ppm; 3.94 A): 4 out of 17 assignments used, quality = 1.00: QD2 LEU 70 + HB2 LYS 39 OK 98 99 100 98 2.0-5.3 10822/3.0=56...(41) QD1 LEU 70 + HB2 LYS 39 OK 94 95 100 99 1.8-4.0 10569/3.0=41, ~10822=33...(42) QD1 ILE 93 + HB2 LYS 90 OK 63 66 100 95 3.4-4.7 10025/3.0=40, ~4129=23...(28) QD2 LEU 38 + HB2 LYS 39 OK 25 87 35 83 4.6-6.4 4.5/8853=27...(21) QD2 LEU 42 - HB2 LYS 39 far 11 73 15 - 5.3-7.2 QD1 ILE 76 - HB2 LYS 39 far 5 100 5 - 5.3-7.4 QD1 LEU 6 - HB2 LYS 39 far 0 81 0 - 6.7-9.9 QD1 LEU 57 - HB2 LYS 90 far 0 66 0 - 6.8-8.6 QD2 LEU 57 - HB2 LYS 90 far 0 91 0 - 6.9-8.5 QG2 VAL 32 - HB2 LYS 39 far 0 71 0 - 7.1-8.3 QG2 ILE 15 - HB2 LYS 90 far 0 88 0 - 7.6-10.3 QG2 ILE 7 - HB2 LYS 90 far 0 91 0 - 7.9-10.3 QD1 LEU 27 - HB2 LYS 90 far 0 64 0 - 8.0-9.4 QG1 VAL 54 - HB2 LYS 39 far 0 63 0 - 8.6-10.0 QD1 ILE 15 - HB2 LYS 90 far 0 49 0 - 8.7-10.9 QG2 ILE 8 - HB2 LYS 39 far 0 98 0 - 8.9-10.8 QD2 LEU 103 - HB2 LYS 90 far 0 68 0 - 9.1-18.3 Violated in 0 structures by 0.00 A. Peak 8957 from cnoeabs.peaks (0.79, 1.86, 32.18 ppm; 3.84 A): 6 out of 53 assignments used, quality = 1.00: QD1 LEU 70 + HB3 LYS 39 OK 85 88 100 97 2.2-4.7 10569/3.0=39, ~10822=31...(29) QD2 LEU 70 + HB3 LYS 39 OK 84 96 90 96 3.4-5.7 10822/3.0=51...(28) QG2 ILE 15 + HB2 LYS 12 OK 81 83 100 97 4.4-4.9 10121/3.0=49...(21) QD1 ILE 15 + HB2 LYS 12 OK 59 60 100 98 3.6-4.6 8446/3.0=40, ~8450=26...(25) QD1 ILE 15 + HB3 LYS 12 OK 59 59 100 98 4.0-4.8 8446/3.0=40, ~8450=26...(30) QD1 ILE 93 + HB3 LYS 90 OK 43 47 100 91 3.2-4.1 10025/3.0=45, ~4129=21...(21) QD2 LEU 42 - HB3 LYS 39 far 8 84 10 - 5.3-6.9 QD1 ILE 76 - HB3 LYS 39 poor 8 99 25 33 4.6-6.3 8952/3.0=16...(6) QD2 LEU 38 - HB3 LYS 39 far 4 77 5 - 5.3-7.4 QD2 LEU 103 - HB2 LYS 68 far 0 44 0 - 5.6-18.3 QG2 ILE 15 - HB3 LYS 12 far 0 83 0 - 5.6-6.1 HG13 ILE 15 - HB2 LYS 12 far 0 51 0 - 5.6-6.8 QD1 ILE 93 - HB2 LYS 20 far 0 51 0 - 6.0-7.9 QD2 LEU 38 - HB3 LYS 68 far 0 73 0 - 6.1-8.0 QD2 LEU 70 - HB3 LYS 68 far 0 93 0 - 6.3-7.3 QD2 LEU 38 - HB2 LYS 68 far 0 49 0 - 6.4-9.1 QD1 LEU 70 - HB3 LYS 68 far 0 84 0 - 6.4-7.9 QD1 LEU 70 - HB2 LYS 68 far 0 58 0 - 6.5-8.5 HG13 ILE 15 - HB3 LYS 12 far 0 50 0 - 6.6-7.6 QD2 LEU 42 - HB2 LYS 68 far 0 55 0 - 6.7-8.7 QG2 ILE 7 - HB2 LYS 12 far 0 91 0 - 6.7-7.4 QD2 LEU 70 - HB2 LYS 68 far 0 67 0 - 6.7-8.2 QD2 LEU 103 - HB3 LYS 68 far 0 65 0 - 6.8-19.7 QD2 LEU 42 - HB3 LYS 68 far 0 80 0 - 6.9-8.6 QD1 LEU 27 - HB3 LYS 90 far 0 46 0 - 7.0-9.2 QD1 LEU 6 - HB3 LYS 39 far 0 90 0 - 7.0-10.2 QD1 LEU 57 - HB3 LYS 90 far 0 34 0 - 7.1-8.9 QD2 LEU 57 - HB3 LYS 90 far 0 60 0 - 7.1-8.5 QG2 ILE 15 - HB2 LYS 20 far 0 57 0 - 7.4-8.6 QG2 ILE 7 - HB3 LYS 12 far 0 90 0 - 7.4-8.1 QG1 VAL 54 - HB2 LYS 68 far 0 48 0 - 7.6-11.5 QD1 LEU 6 - HB2 LYS 68 far 0 60 0 - 7.8-12.0 QG2 VAL 32 - HB3 LYS 39 far 0 59 0 - 7.9-9.0 QD2 LEU 57 - HB2 LYS 68 far 0 73 0 - 7.9-11.4 QG2 ILE 15 - HB3 LYS 90 far 0 53 0 - 7.9-10.0 QG1 VAL 54 - HB3 LYS 39 far 0 75 0 - 8.1-9.8 QG2 ILE 7 - HB3 LYS 90 far 0 60 0 - 8.2-10.0 QD1 LEU 6 - HB3 LYS 68 far 0 85 0 - 8.2-11.1 QG2 ILE 8 - HB3 LYS 68 far 0 97 0 - 8.2-9.2 QG2 VAL 32 - HB2 LYS 68 far 0 36 0 - 8.3-11.1 QD1 LEU 57 - HB2 LYS 68 far 0 42 0 - 8.3-11.5 QG2 ILE 8 - HB2 LYS 68 far 0 72 0 - 8.5-10.5 QG1 VAL 54 - HB3 LYS 68 far 0 71 0 - 8.5-11.0 QD2 LEU 57 - HB3 LYS 68 far 0 98 0 - 8.6-10.6 QG2 VAL 32 - HB3 LYS 68 far 0 56 0 - 8.6-10.1 QD1 LEU 27 - HB2 LYS 20 far 0 50 0 - 8.6-10.6 QD1 LEU 57 - HB3 LYS 68 far 0 63 0 - 9.1-10.6 QD1 ILE 15 - HB3 LYS 90 far 0 36 0 - 9.1-11.1 QD2 LEU 103 - HB3 LYS 90 far 0 35 0 - 9.3-17.7 QD1 ILE 76 - HB2 LYS 68 far 0 71 0 - 9.3-10.4 QG2 ILE 8 - HB3 LYS 39 far 0 100 0 - 9.7-11.7 QG2 ILE 7 - HB2 LYS 20 far 0 64 0 - 9.7-10.4 QD1 ILE 76 - HB3 LYS 68 far 0 97 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 8958 from cnoeabs.peaks (0.80, 2.88, 41.80 ppm; 3.49 A): 8 out of 33 assignments used, quality = 0.98: QD2 LEU 70 + HE3 LYS 66 OK 52 73 90 79 1.9-5.1 10821=23, 10821/1.8=18...(20) QD2 LEU 70 + HE2 LYS 66 OK 51 87 75 79 2.2-6.2 10821=21, 10821/1.8=20...(20) QD1 LEU 70 + HE3 LYS 39 OK 41 99 55 75 3.3-5.8 10569/3.5=28...(15) QD1 LEU 70 + HE2 LYS 39 OK 37 97 50 75 3.6-5.6 10569/3.5=28...(15) QD1 LEU 70 + HE3 LYS 66 OK 34 70 65 75 2.5-6.2 2.1/10821=19...(22) QD1 LEU 70 + HE2 LYS 66 OK 31 83 50 75 2.6-7.1 2.1/10821=17, ~10821=12...(20) QD2 LEU 70 + HE3 LYS 39 OK 26 100 35 73 3.6-6.9 10569/3.5=16...(15) QD2 LEU 70 + HE2 LYS 39 OK 22 99 30 73 2.6-7.4 10569/3.5=16...(15) QD2 LEU 38 - HE3 LYS 66 poor 16 64 40 64 3.1-8.0 9517/3.6=27, 9517/3.6=17...(16) QD2 LEU 38 - HE2 LYS 66 poor 15 77 20 - 3.4-8.8 QD2 LEU 38 - HE3 LYS 39 far 0 94 0 - 5.8-9.4 QG2 ILE 8 - HE2 LYS 66 far 0 77 0 - 6.1-9.6 QG2 ILE 8 - HE3 LYS 66 far 0 64 0 - 6.2-8.8 QD2 LEU 38 - HE2 LYS 39 far 0 92 0 - 6.5-9.0 QD1 ILE 76 - HE2 LYS 39 far 0 99 0 - 6.6-9.3 QD1 ILE 76 - HE3 LYS 39 far 0 100 0 - 6.7-9.1 QD1 LEU 57 - HE3 LYS 82 far 0 43 0 - 6.8-9.0 QG2 VAL 32 - HE3 LYS 66 far 0 53 0 - 7.5-11.0 QD2 LEU 42 - HE2 LYS 39 far 0 60 0 - 7.7-10.0 QD2 LEU 42 - HE3 LYS 39 far 0 61 0 - 7.7-9.6 QG2 VAL 32 - HE2 LYS 66 far 0 65 0 - 8.1-11.4 QG2 VAL 32 - HE3 LYS 39 far 0 82 0 - 8.1-10.9 QD1 LEU 6 - HE3 LYS 39 far 0 70 0 - 8.2-13.0 QD2 LEU 103 - HE3 LYS 82 far 0 43 0 - 8.2-20.4 QD2 LEU 42 - HE3 LYS 66 far 0 38 0 - 8.3-11.2 QG2 ILE 8 - HE3 LYS 82 far 0 47 0 - 8.4-10.1 QD2 LEU 42 - HE2 LYS 66 far 0 47 0 - 8.6-11.6 QD2 LEU 57 - HE3 LYS 82 far 0 53 0 - 8.6-10.6 QG2 VAL 32 - HE2 LYS 39 far 0 80 0 - 8.9-11.0 QD1 LEU 6 - HE3 LYS 66 far 0 44 0 - 9.0-13.5 QD1 LEU 6 - HE2 LYS 66 far 0 54 0 - 9.1-14.2 QD1 LEU 6 - HE2 LYS 39 far 0 68 0 - 9.3-12.6 QG2 ILE 8 - HE3 LYS 39 far 0 94 0 - 9.9-13.3 Violated in 2 structures by 0.01 A. Peak 8959 from cnoeabs.peaks (6.82, 1.36, 24.65 ppm; 5.91 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HG3 LYS 40 OK 100 100 100 100 2.9-4.8 4.6/1827=62, 8865/1.8=54...(24) QE TYR 41 + HG3 LYS 40 OK 69 70 100 100 3.4-5.6 6.6/1827=44, 8865/1.8=43...(21) Violated in 0 structures by 0.00 A. Peak 8962 from cnoeabs.peaks (3.71, 1.16, 24.65 ppm; 5.06 A): 1 out of 3 assignments used, quality = 1.00: HA GLU 37 + HG2 LYS 40 OK 100 100 100 100 4.4-5.8 1794/2.9=90, 1782/2.9=89...(19) HB THR 80 - HG3 LYS 82 far 0 34 0 - 7.2-8.8 HA LEU 42 - HG2 LYS 40 far 0 100 0 - 7.6-8.5 Violated in 8 structures by 0.10 A. Peak 8963 from cnoeabs.peaks (3.71, 1.36, 24.65 ppm; 5.24 A): 2 out of 5 assignments used, quality = 1.00: HA GLU 37 + HG3 LYS 40 OK 100 100 100 100 4.1-5.8 1794/2.9=93, 1782/2.9=92...(21) HA LYS 90 + HG3 LYS 94 OK 21 41 75 67 4.8-8.0 7501/4.9=37...(11) HA LYS 90 - HG2 LYS 94 far 7 44 15 - 6.3-9.0 HA LEU 42 - HG3 LYS 40 far 0 100 0 - 7.6-9.0 HA3 GLY 100 - HG2 LYS 94 far 0 78 0 - 9.8-13.2 Violated in 3 structures by 0.02 A. Peak 8964 from cnoeabs.peaks (3.71, 1.46, 28.90 ppm; 4.72 A): 2 out of 7 assignments used, quality = 1.00: HA GLU 37 + HD3 LYS 40 OK 100 100 100 100 3.4-5.9 1794/3.5=76, 1782/3.5=74...(21) HA GLU 37 + HD2 LYS 40 OK 100 100 100 100 3.6-5.9 1794/3.5=76, 1782/3.5=74...(19) HA LYS 90 - HB2 ARG 91 poor 20 21 95 - 5.8-6.6 HB THR 80 - HD2 LYS 82 far 8 81 10 - 5.9-9.2 HA LEU 42 - HD3 LYS 40 far 0 100 0 - 7.2-10.1 HA LEU 42 - HD2 LYS 40 far 0 100 0 - 7.4-10.3 HA LEU 14 - HB2 ARG 91 far 0 32 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 8965 from cnoeabs.peaks (3.69, 2.77, 41.80 ppm; 6.42 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 37 + HE3 LYS 40 OK 93 93 100 100 4.4-5.9 1794/4.8=76, 1782/4.8=75...(15) HA GLU 37 + HE2 LYS 40 OK 93 93 100 100 4.5-5.9 1794/4.8=76, 1782/4.8=75...(15) HA LEU 42 - HE3 LYS 40 far 0 96 0 - 9.5-10.7 HA LEU 42 - HE2 LYS 40 far 0 96 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 8966 from cnoeabs.peaks (3.60, 0.69, 25.64 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QD1 LEU 42 OK 100 100 100 100 1.8-2.3 8953=97, 3.9/10570=72...(26) Violated in 0 structures by 0.00 A. Peak 8967 from cnoeabs.peaks (3.61, 1.90, 26.36 ppm; 5.54 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + HG LEU 42 OK 100 100 100 100 1.9-4.2 8953/2.1=100...(30) Violated in 0 structures by 0.00 A. Peak 8969 from cnoeabs.peaks (3.85, 1.81, 40.51 ppm; 5.62 A): 5 out of 7 assignments used, quality = 1.00: HA ALA 71 + HB2 LEU 42 OK 99 100 100 99 3.7-4.5 ~10414=50, 8924/3.1=35...(22) HA LEU 38 + HB2 LEU 42 OK 90 91 100 99 5.1-6.9 8924/3.1=34, 3.8/8922=33...(21) HA LYS 40 + HB2 LEU 42 OK 86 98 100 88 5.1-5.7 6682/4.6=41, 3.6/8883=36...(12) HA GLU 43 + HB2 LEU 42 OK 77 77 100 100 3.9-4.2 ~6688=73, 2.9/6687=64...(25) HA ALA 67 + HB2 LEU 42 OK 33 100 40 82 6.4-8.3 8924/3.1=23, ~1930=20...(16) HB3 SER 49 - HB2 LEU 42 far 0 100 0 - 8.1-13.2 HA GLU 35 - HB2 LEU 42 far 0 70 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 8970 from cnoeabs.peaks (3.85, 1.30, 40.51 ppm; 5.85 A): 5 out of 7 assignments used, quality = 1.00: HA ALA 71 + HB3 LEU 42 OK 100 100 100 100 3.2-4.5 ~10414=54, 9648/10884=52...(24) HA LEU 38 + HB3 LEU 42 OK 83 84 100 99 6.0-7.2 8924/3.1=35, ~10551=30...(21) HA LYS 40 + HB3 LEU 42 OK 77 95 100 81 6.7-7.2 6682/6688=44...(10) HA GLU 43 + HB3 LEU 42 OK 68 68 100 100 4.3-5.1 2.9/6688=96, ~6690=56...(24) HA ALA 67 + HB3 LEU 42 OK 24 100 30 80 6.6-8.2 8924/3.1=23, ~1930=22...(13) HB3 SER 49 - HB3 LEU 42 far 10 99 10 - 7.2-12.2 HA GLU 35 - HB3 LEU 42 far 0 59 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 8971 from cnoeabs.peaks (2.96, 1.81, 40.51 ppm; 6.34 A): 2 out of 6 assignments used, quality = 1.00: HB3 PHE 45 + HB2 LEU 42 OK 98 98 100 100 4.8-7.6 ~10600=78, ~8928=77...(22) HB2 PHE 45 + HB2 LEU 42 OK 81 81 100 100 5.0-7.6 ~10600=78, ~8928=77...(22) HE2 LYS 73 - HB2 LEU 42 far 0 100 0 - 8.0-12.8 HE3 LYS 73 - HB2 LEU 42 far 0 99 0 - 8.4-12.5 HE3 LYS 47 - HB2 LEU 42 far 0 93 0 - 9.2-12.9 HE2 LYS 47 - HB2 LEU 42 far 0 93 0 - 9.4-12.6 Violated in 0 structures by 0.00 A. Peak 8977 from cnoeabs.peaks (2.96, 3.94, 58.87 ppm; 4.39 A): 2 out of 4 assignments used, quality = 1.00: HE2 LYS 47 + HA GLU 44 OK 98 99 100 99 3.4-5.5 12105=49, 3.8/10615=46...(26) HE3 LYS 47 + HA GLU 44 OK 88 99 90 99 2.9-5.9 3.8/10615=46...(23) HB3 PHE 45 - HA GLU 44 far 5 100 5 - 5.8-6.6 HB2 PHE 45 - HA GLU 44 far 0 92 0 - 5.9-6.6 Violated in 9 structures by 0.05 A. Peak 8978 from cnoeabs.peaks (2.95, 2.00, 28.65 ppm; 4.79 A): 8 out of 23 assignments used, quality = 1.00: HB3 PHE 45 + HB2 GLU 44 OK 86 95 95 95 5.0-6.5 3.7/2016=38, ~8990=37...(11) HB3 PHE 45 + HB3 GLU 44 OK 71 95 80 94 5.6-6.7 ~8990=37, 3.7/2016=37...(11) HB2 PHE 45 + HB2 GLU 44 OK 65 71 95 95 5.1-6.9 3.7/2016=38, ~8990=37...(11) HE3 LYS 90 + HB3 GLU 17 OK 55 58 100 95 1.9-5.7 11024/3.0=34...(28) HE2 LYS 47 + HB3 GLU 44 OK 46 87 60 89 4.3-7.2 8977/3.0=36, ~8977=24...(12) HB2 PHE 45 + HB3 GLU 44 OK 43 71 65 94 5.5-7.2 ~8990=37, 3.7/2016=37...(10) HE3 LYS 47 + HB3 GLU 44 OK 23 87 30 90 4.8-8.2 8977/3.0=32, ~12106=28...(12) HE2 LYS 47 + HB2 GLU 44 OK 23 87 30 89 5.7-8.2 8977/3.0=36, ~8977=24...(13) HG2 MET 21 - HB3 GLU 17 poor 18 60 80 37 4.3-8.0 3955/10310=12, ~730=7...(10) HB2 ASN 51 - HB2 GLN 50 poor 15 51 30 - 5.2-7.4 HE2 LYS 20 - HB3 GLU 17 poor 14 32 45 - 4.2-7.8 HE3 LYS 47 - HB2 GLU 44 far 13 87 15 - 5.6-8.9 HE3 LYS 20 - HB3 GLU 17 poor 7 33 20 - 4.8-7.7 HE3 LYS 13 - HB3 GLU 17 far 3 61 5 - 6.3-9.9 HE2 LYS 13 - HB3 GLU 17 far 0 60 0 - 6.8-10.2 HE2 LYS 94 - HB3 GLU 17 far 0 41 0 - 7.6-11.1 HB2 PHE 45 - HB2 GLN 50 far 0 30 0 - 7.7-11.3 HE3 LYS 94 - HB3 GLU 17 far 0 30 0 - 8.2-12.2 HE2 LYS 24 - HB3 GLU 17 far 0 59 0 - 9.0-14.4 HB3 PHE 45 - HB2 GLN 50 far 0 45 0 - 9.0-11.1 HE3 LYS 24 - HB3 GLU 17 far 0 59 0 - 9.4-14.5 HE3 LYS 47 - HB2 GLN 50 far 0 39 0 - 9.6-12.9 HE2 LYS 47 - HB2 GLN 50 far 0 39 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 8981 from cnoeabs.peaks (0.79, 2.35, 35.75 ppm; 4.43 A): 5 out of 23 assignments used, quality = 0.99: QG2 ILE 52 + HG2 GLU 48 OK 75 75 100 100 1.8-5.4 9043/1.8=40, ~9044=37...(28) QD2 LEU 70 + HG3 GLU 69 OK 68 82 90 92 3.9-6.7 3166/7148=37, ~10802=25...(16) QG2 ILE 15 + HG2 GLU 16 OK 63 67 100 94 2.8-5.9 8530/689=59, 660/6239=58...(11) QD2 LEU 2 + HG2 GLU 48 OK 42 77 55 99 3.4-7.4 ~10432=40, ~9042=39...(23) QD1 ILE 15 + HG2 GLU 16 OK 26 42 90 70 4.7-7.5 684/6239=31, 5.0/6252=17...(11) QD1 ILE 76 - HG3 GLU 44 far 10 100 10 - 5.3-8.1 QD2 LEU 42 - HG3 GLU 44 far 8 81 10 - 5.5-9.2 QG2 ILE 7 - HG2 GLU 16 far 7 73 10 - 5.6-8.4 QD1 ILE 76 - HG2 GLU 48 far 4 82 5 - 5.8-8.7 QD1 LEU 70 - HG3 GLU 69 far 4 74 5 - 4.9-7.3 QG1 VAL 54 - HG3 GLU 44 far 4 71 5 - 5.8-9.7 QD1 LEU 6 - HG3 GLU 44 far 0 87 0 - 6.4-9.7 QD2 LEU 38 - HG3 GLU 69 far 0 64 0 - 6.7-9.6 QD2 LEU 2 - HG3 GLU 44 far 0 97 0 - 6.9-12.8 QG2 ILE 52 - HG3 GLU 44 far 0 96 0 - 7.5-10.3 QD1 ILE 93 - HG2 GLU 16 far 0 56 0 - 7.5-9.7 QG1 VAL 54 - HG2 GLU 48 far 0 52 0 - 7.7-10.2 QD2 LEU 42 - HG2 GLU 48 far 0 60 0 - 8.5-10.2 QD2 LEU 42 - HG3 GLU 69 far 0 64 0 - 8.6-10.2 QG2 VAL 32 - HG3 GLU 44 far 0 63 0 - 8.6-11.7 QD2 LEU 70 - HG3 GLU 44 far 0 98 0 - 9.2-14.4 QD2 LEU 103 - HG3 GLU 69 far 0 58 0 - 9.2-21.3 QD1 LEU 6 - HG2 GLU 48 far 0 66 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 8987 from cnoeabs.peaks (6.65, 3.94, 58.87 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 45 + HA GLU 44 OK 100 100 100 100 4.4-5.3 6731/3.6=97, 4.8/6740=80...(11) Violated in 0 structures by 0.00 A. Peak 8988 from cnoeabs.peaks (6.83, 2.00, 28.65 ppm; 4.56 A): 1 out of 6 assignments used, quality = 0.75: QD TYR 41 + HB2 GLU 44 OK 75 100 85 88 4.9-7.0 3.7/1880=51, 8984/3.9=42...(11) HD21 ASN 60 - HB2 GLU 62 poor 16 43 60 62 4.6-7.6 9429=31, ~9432=19...(6) QD TYR 41 - HB3 GLU 44 far 10 100 10 - 5.0-7.4 QE TYR 41 - HB2 GLU 44 far 0 90 0 - 6.6-9.0 QE TYR 41 - HB3 GLU 44 far 0 90 0 - 7.1-9.2 HD1 TRP 92 - HB3 GLU 17 far 0 33 0 - 9.7-11.6 Violated in 20 structures by 1.21 A. Peak 8989 from cnoeabs.peaks (6.67, 2.00, 28.65 ppm; 4.81 A): 2 out of 3 assignments used, quality = 0.99: QD PHE 45 + HB2 GLU 44 OK 93 94 100 99 2.7-4.8 8990/3.0=58, 6731/4.7=57...(15) QD PHE 45 + HB3 GLU 44 OK 92 94 100 98 2.8-5.0 8990/3.0=58, 6731/4.7=57...(14) QD PHE 45 - HB2 GLN 50 far 0 44 0 - 8.6-11.8 Violated in 0 structures by 0.00 A. Peak 8990 from cnoeabs.peaks (6.67, 2.13, 35.75 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.97: QD PHE 45 + HG2 GLU 44 OK 97 98 100 99 2.5-5.5 6731/2023=67...(10) Violated in 14 structures by 0.12 A. Peak 8993 from cnoeabs.peaks (6.65, 2.35, 35.75 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.99: QD PHE 45 + HG3 GLU 44 OK 97 100 100 97 2.9-5.5 8990/1.8=68...(11) QD PHE 45 + HG2 GLU 48 OK 57 82 100 69 4.6-6.2 2035/10182=28...(8) Violated in 0 structures by 0.00 A. Peak 8994 from cnoeabs.peaks (0.78, 2.98, 36.68 ppm; 4.54 A): 10 out of 19 assignments used, quality = 1.00: QG2 ILE 52 + HB2 PHE 45 OK 99 100 100 99 3.1-5.3 9144/2.5=61...(23) QD2 LEU 42 + HB2 PHE 45 OK 98 99 100 99 4.1-5.9 10600/2.5=85, 8923=39...(14) QG1 VAL 54 + HB2 PHE 45 OK 96 97 100 99 4.0-5.7 ~9222=53, 9226/4.4=41...(18) QG2 ILE 52 + HB3 PHE 45 OK 90 90 100 99 3.0-5.5 9144/2.5=61...(23) QD1 ILE 76 + HB2 PHE 45 OK 85 85 100 99 2.0-5.7 9642/2.5=55, 9630/4.5=40...(23) QG1 VAL 54 + HB3 PHE 45 OK 84 85 100 99 3.9-5.4 ~9222=53, 9226/4.4=41...(18) QD2 LEU 42 + HB3 PHE 45 OK 82 88 95 99 4.0-6.1 10600/2.5=85, 8923=39...(14) QD1 ILE 76 + HB3 PHE 45 OK 71 72 100 99 2.3-5.5 9642/2.5=55, 9630/4.5=40...(24) QG1 VAL 78 + HB2 PHE 45 OK 37 77 85 56 4.0-6.6 10657/1907=12...(8) QG1 VAL 78 + HB3 PHE 45 OK 34 64 95 55 3.7-6.4 10657/1907=12, 10656=10...(9) QD2 LEU 2 - HB2 PHE 45 poor 18 71 60 42 3.5-8.6 2377/9174=9, 2.1/12098=8...(10) QD2 LEU 2 - HB3 PHE 45 poor 10 59 40 43 3.8-7.7 2377/9174=10...(10) QD1 LEU 6 - HB3 PHE 45 far 0 90 0 - 6.2-8.0 QD1 LEU 6 - HB2 PHE 45 far 0 100 0 - 6.2-8.4 QD1 LEU 27 - HB3 PHE 45 far 0 89 0 - 8.5-11.7 QD1 LEU 27 - HB2 PHE 45 far 0 100 0 - 9.3-11.5 QD1 LEU 70 - HB2 PHE 45 far 0 57 0 - 9.4-13.2 QD1 LEU 70 - HB3 PHE 45 far 0 46 0 - 9.4-11.8 QD2 LEU 70 - HB3 PHE 45 far 0 60 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 8995 from cnoeabs.peaks (0.68, 2.98, 36.68 ppm; 4.67 A): 5 out of 15 assignments used, quality = 1.00: QD1 ILE 52 + HB2 PHE 45 OK 98 98 100 100 1.7-3.2 9147/2.5=80, 9170/3.0=74...(30) QD1 ILE 52 + HB3 PHE 45 OK 86 86 100 100 1.7-3.1 9147/2.5=80, 9170/3.0=74...(30) QG2 VAL 54 + HB2 PHE 45 OK 80 81 100 99 2.4-3.9 9222/2.5=63, 9223/4.4=40...(20) QG2 VAL 54 + HB3 PHE 45 OK 66 67 100 99 2.5-3.7 9222/2.5=63, 9223/4.4=40...(20) QD1 LEU 42 + HB3 PHE 45 OK 42 89 50 95 5.6-7.9 ~10600=59, 2.1/8923=35...(15) QD2 LEU 6 - HB2 PHE 45 far 10 100 10 - 6.1-7.7 QD1 LEU 42 - HB2 PHE 45 far 10 100 10 - 5.7-7.8 QD2 LEU 6 - HB3 PHE 45 far 9 90 10 - 6.0-7.5 QD1 ILE 56 - HB3 PHE 45 far 0 72 0 - 6.2-8.7 QG2 VAL 78 - HB3 PHE 45 far 0 48 0 - 6.2-9.0 QG2 VAL 78 - HB2 PHE 45 far 0 59 0 - 6.3-9.2 QD1 ILE 56 - HB2 PHE 45 far 0 85 0 - 6.6-9.5 HG13 ILE 56 - HB3 PHE 45 far 0 60 0 - 8.7-10.9 HG13 ILE 56 - HB2 PHE 45 far 0 73 0 - 9.1-11.6 QD1 LEU 29 - HB2 PHE 45 far 0 79 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 8996 from cnoeabs.peaks (0.78, 4.52, 55.95 ppm; 4.03 A): 2 out of 7 assignments used, quality = 0.99: QG2 ILE 52 + HA PHE 45 OK 98 100 100 98 4.0-4.7 3.1/9170=57, 10647=49...(20) QD1 ILE 76 + HA PHE 45 OK 55 85 70 92 4.5-6.2 9630/3.6=38, 9642/3.7=35...(14) QD2 LEU 2 - HA PHE 45 poor 18 71 50 50 4.4-7.9 2377/9170=15...(10) QG1 VAL 54 - HA PHE 45 far 0 97 0 - 5.7-7.1 QG1 VAL 78 - HA PHE 45 far 0 77 0 - 6.2-8.3 QD2 LEU 42 - HA PHE 45 far 0 99 0 - 6.4-7.3 QD1 LEU 6 - HA PHE 45 far 0 100 0 - 7.4-9.2 Violated in 13 structures by 0.13 A. Peak 8997 from cnoeabs.peaks (0.68, 4.52, 55.95 ppm; 3.87 A): 2 out of 6 assignments used, quality = 0.99: QD1 ILE 52 + HA PHE 45 OK 98 98 100 100 2.2-3.4 9170=85, 9147/3.7=45...(25) QG2 VAL 54 + HA PHE 45 OK 49 81 70 87 4.3-5.7 9222/2035=38...(14) QD2 LEU 6 - HA PHE 45 far 0 100 0 - 7.1-8.4 QD1 LEU 42 - HA PHE 45 far 0 100 0 - 8.0-8.7 QD1 ILE 56 - HA PHE 45 far 0 85 0 - 8.2-10.9 QG2 VAL 78 - HA PHE 45 far 0 59 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 8998 from cnoeabs.peaks (0.77, 6.66, 129.63 ppm; 4.45 A): 6 out of 12 assignments used, quality = 1.00: QD2 LEU 42 + QD PHE 45 OK 100 100 100 100 2.4-3.8 10600=99, 1944/8928=67...(18) QG1 VAL 54 + QD PHE 45 OK 99 99 100 100 2.1-3.4 2.1/9222=84, 9226/2.2=65...(16) QG2 ILE 52 + QD PHE 45 OK 96 98 100 98 4.3-5.6 9144=64, 3.1/9147=62...(14) QD1 LEU 6 + QD PHE 45 OK 94 100 95 100 4.1-6.0 8212/2.2=84, 8211=75...(12) QD1 ILE 76 + QD PHE 45 OK 73 74 100 99 2.9-5.0 9642=56, 3.2/9632=46...(19) QG1 VAL 78 + QD PHE 45 OK 60 86 100 70 3.3-5.1 10657/8928=24...(8) QD2 LEU 2 - QD PHE 45 poor 11 58 55 34 4.3-8.1 2377/9147=16...(6) QD1 LEU 27 - QD PHE 45 far 0 100 0 - 7.8-9.4 QD2 LEU 57 - QD PHE 45 far 0 83 0 - 8.3-10.1 QD2 LEU 70 - QD PHE 45 far 0 60 0 - 8.9-11.3 QG2 ILE 93 - QD PHE 45 far 0 92 0 - 9.7-11.2 QD1 ILE 93 - QD PHE 45 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 8999 from cnoeabs.peaks (0.66, 6.66, 129.63 ppm; 4.70 A): 4 out of 7 assignments used, quality = 1.00: QG2 VAL 54 + QD PHE 45 OK 99 99 100 100 1.8-2.4 9222=100, 9223/2.2=82...(18) QD2 LEU 6 + QD PHE 45 OK 79 79 100 99 4.1-5.4 2.1/8211=71, 8208/2.2=65...(11) QD1 LEU 42 + QD PHE 45 OK 75 76 100 100 4.8-6.0 2.1/10600=93...(17) QD1 ILE 52 + QD PHE 45 OK 63 64 100 99 2.7-3.8 3.1/9144=54, 9147=51...(18) QD2 LEU 29 - QD PHE 45 far 0 95 0 - 7.3-10.7 QD1 LEU 29 - QD PHE 45 far 0 99 0 - 7.7-9.5 QD1 ILE 7 - QD PHE 45 far 0 60 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 9000 from cnoeabs.peaks (3.72, 6.66, 129.63 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.97: HA LEU 42 + QD PHE 45 OK 97 97 100 100 2.0-3.1 8928=95, 1944/10600=90...(22) HA GLU 37 - QD PHE 45 far 0 99 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 9001 from cnoeabs.peaks (4.53, 6.51, 129.73 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.99: HA PHE 45 + QE PHE 45 OK 99 99 100 100 4.3-4.7 2035/2.2=98, 2036=84...(13) HA ASP 77 - QE PHE 45 far 0 59 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 9003 from cnoeabs.peaks (8.27, 6.66, 129.63 ppm; 5.74 A): 1 out of 2 assignments used, quality = 0.98: H PHE 45 + QD PHE 45 OK 98 98 100 100 2.5-3.1 4.6=100 H ALA 71 - QD PHE 45 far 0 98 0 - 8.0-10.1 Violated in 0 structures by 0.00 A. Peak 9004 from cnoeabs.peaks (2.98, 6.51, 129.73 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: HB2 PHE 45 + QE PHE 45 OK 100 100 100 100 4.4-4.5 4.4=100 HB3 PHE 45 + QE PHE 45 OK 99 99 100 100 4.4-4.5 4.4=100 HE3 LYS 47 - QE PHE 45 far 5 100 5 - 7.6-10.8 HE2 LYS 47 - QE PHE 45 lone 2 100 25 7 7.2-9.8 14517/2.2=4 Violated in 0 structures by 0.00 A. Peak 9005 from cnoeabs.peaks (2.32, 6.51, 129.73 ppm; 6.44 A): 4 out of 6 assignments used, quality = 1.00: HB2 TYR 41 + QE PHE 45 OK 100 100 100 100 4.0-5.0 8890/2.2=98, 8887=97...(17) HB2 TYR 4 + QE PHE 45 OK 82 82 100 100 3.3-4.2 1.8/12077=95, 12074=79...(13) HG3 GLU 44 + QE PHE 45 OK 65 67 100 97 3.1-6.1 ~8990=81, ~8989=37...(9) HG2 GLU 48 + QE PHE 45 OK 63 96 90 73 6.5-8.2 10182/9001=44...(6) HB2 GLU 48 - QE PHE 45 far 14 92 15 - 7.1-9.6 HG3 GLU 43 - QE PHE 45 lone 6 100 35 16 7.7-8.6 6727/6732=9, 10607/9007=5 Violated in 0 structures by 0.00 A. Peak 9006 from cnoeabs.peaks (0.76, 6.51, 129.73 ppm; 4.35 A): 5 out of 15 assignments used, quality = 1.00: QG1 VAL 54 + QE PHE 45 OK 100 100 100 100 1.8-2.7 2.1/9223=74, 9226=72...(22) QD1 LEU 6 + QE PHE 45 OK 100 100 100 100 2.3-4.2 8212=99, 2.1/8208=81...(21) QD2 LEU 42 + QE PHE 45 OK 98 100 100 98 2.6-4.4 10600/2.2=85...(17) QG1 VAL 78 + QE PHE 45 OK 45 94 85 56 4.5-6.2 2497/9223=19, 9226=18...(8) QD1 ILE 76 + QE PHE 45 OK 42 63 80 83 4.6-6.2 9642/2.2=36, ~9632=30...(13) QG2 ILE 52 - QE PHE 45 far 0 96 0 - 6.1-7.2 QG1 VAL 5 - QE PHE 45 far 0 63 0 - 6.3-7.3 QD2 LEU 27 - QE PHE 45 far 0 69 0 - 7.3-8.8 QD2 LEU 57 - QE PHE 45 far 0 73 0 - 7.3-8.9 QD1 LEU 27 - QE PHE 45 far 0 100 0 - 7.7-8.7 QG2 ILE 7 - QE PHE 45 far 0 67 0 - 8.4-9.6 QD1 ILE 93 - QE PHE 45 far 0 100 0 - 8.8-10.2 QG2 ILE 93 - QE PHE 45 far 0 97 0 - 8.9-10.0 QG2 ILE 8 - QE PHE 45 far 0 88 0 - 9.4-10.9 HG13 ILE 93 - QE PHE 45 far 0 92 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 9007 from cnoeabs.peaks (0.68, 6.51, 129.73 ppm; 4.56 A): 5 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + QE PHE 45 OK 99 99 100 100 2.1-3.6 8208=98, 2.1/8212=88...(22) QD1 ILE 52 + QE PHE 45 OK 92 94 100 99 4.5-5.6 9147/2.2=76...(16) QG2 VAL 54 + QE PHE 45 OK 89 89 100 100 2.4-4.0 9223=86, 9222/2.2=73...(18) QD1 LEU 42 + QE PHE 45 OK 79 98 85 95 5.1-6.2 ~10600=60, 4.0/14683=31...(17) QD1 ILE 56 + QE PHE 45 OK 29 75 85 46 3.7-6.7 230/8212=20, 214/8205=15...(9) HG13 ILE 56 - QE PHE 45 far 9 61 15 - 5.7-7.6 QD1 LEU 29 - QE PHE 45 far 4 88 5 - 6.1-8.0 QD2 LEU 29 - QE PHE 45 far 3 69 5 - 5.9-9.0 QD1 ILE 8 - QE PHE 45 far 0 71 0 - 6.9-9.0 Violated in 0 structures by 0.00 A. Peak 9008 from cnoeabs.peaks (2.32, 6.14, 127.52 ppm; 6.50 A): 3 out of 6 assignments used, quality = 1.00: HB2 TYR 41 + HZ PHE 45 OK 99 99 100 100 4.2-5.3 8890=98, 8887/2.2=97...(14) HB2 TYR 4 + HZ PHE 45 OK 71 71 100 100 3.9-6.0 1.8/8127=97, ~12077=76...(12) HG3 GLU 44 + HZ PHE 45 OK 51 79 95 68 4.0-8.3 8993/3.8=38...(5) HG2 GLU 48 - HZ PHE 45 far 0 99 0 - 8.6-10.5 HG3 GLU 43 - HZ PHE 45 far 0 100 0 - 9.1-10.2 HB2 GLU 48 - HZ PHE 45 far 0 84 0 - 9.1-11.9 Violated in 0 structures by 0.00 A. Peak 9009 from cnoeabs.peaks (0.76, 6.14, 127.52 ppm; 5.33 A): 3 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + HZ PHE 45 OK 100 100 100 100 3.6-4.7 9229=99, 2.1/9228=78...(19) QD1 LEU 6 + HZ PHE 45 OK 100 100 100 100 2.9-5.1 8214=99, 2.1/8215=98...(20) QD2 LEU 42 + HZ PHE 45 OK 98 100 100 98 4.3-6.2 10600/3.8=83...(15) QG1 VAL 78 - HZ PHE 45 poor 19 94 20 - 6.5-8.2 QD1 ILE 76 - HZ PHE 45 poor 19 63 40 73 6.2-7.7 9642/3.8=38, 9669/5.8=15...(10) QG1 VAL 5 - HZ PHE 45 far 3 63 5 - 6.8-8.1 QG2 ILE 52 - HZ PHE 45 far 0 96 0 - 7.6-8.9 QD2 LEU 27 - HZ PHE 45 far 0 70 0 - 7.8-9.7 QD2 LEU 57 - HZ PHE 45 far 0 73 0 - 8.2-10.3 QD1 LEU 27 - HZ PHE 45 far 0 100 0 - 8.3-9.6 QG2 ILE 7 - HZ PHE 45 far 0 68 0 - 8.7-10.2 QD1 ILE 93 - HZ PHE 45 far 0 100 0 - 9.3-10.8 QG2 ILE 93 - HZ PHE 45 far 0 98 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 9010 from cnoeabs.peaks (0.68, 6.14, 127.52 ppm; 4.78 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + HZ PHE 45 OK 99 99 100 100 2.0-4.1 8215=98, 8208/2.2=88...(20) QG2 VAL 54 + HZ PHE 45 OK 89 90 100 100 4.1-5.7 9223/2.2=72, 2.1/9229=69...(16) QD1 ILE 52 + HZ PHE 45 OK 47 94 55 90 5.7-7.1 9147/3.8=61, 9170/7.2=26...(9) QD1 ILE 56 - HZ PHE 45 poor 14 75 45 40 5.4-8.5 230/8214=18, 9007/2.2=6...(9) QD1 LEU 29 - HZ PHE 45 far 13 88 15 - 6.0-8.3 QD2 LEU 29 - HZ PHE 45 far 0 70 0 - 6.3-9.3 QD1 LEU 42 - HZ PHE 45 far 0 98 0 - 6.7-7.7 HG13 ILE 56 - HZ PHE 45 far 0 61 0 - 7.4-9.8 QD1 ILE 8 - HZ PHE 45 far 0 71 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 9012 from cnoeabs.peaks (4.40, 3.31, 43.64 ppm; 4.60 A): 2 out of 4 assignments used, quality = 0.99: HA MET 74 + HD2 ARG 46 OK 99 100 100 99 2.2-4.5 12326=73, 12327/1.8=60...(17) HA ILE 76 + HD2 ARG 46 OK 31 81 40 95 3.9-6.6 4.2/9017=52, 3.2/9019=48...(13) HA GLN 50 - HD2 ARG 46 far 5 100 5 - 5.8-12.2 HA GLU 48 - HD2 ARG 46 far 0 81 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 9013 from cnoeabs.peaks (4.41, 3.19, 43.64 ppm; 4.96 A): 2 out of 4 assignments used, quality = 0.99: HA MET 74 + HD3 ARG 46 OK 99 100 100 99 3.3-5.1 12326/1.8=77, 12327=55...(15) HA ILE 76 + HD3 ARG 46 OK 26 90 30 96 5.4-7.4 4.2/9020=63, ~9019=42...(10) HA GLN 50 - HD3 ARG 46 far 5 99 5 - 6.4-12.9 HA GLU 48 - HD3 ARG 46 far 0 90 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 9014 from cnoeabs.peaks (4.42, 1.79, 26.76 ppm; 5.99 A): 3 out of 4 assignments used, quality = 1.00: HA ILE 76 + HG3 ARG 46 OK 100 100 100 100 4.0-6.5 4.2/9021=84...(16) HA MET 74 + HG3 ARG 46 OK 90 91 100 100 4.1-6.9 12326/3.0=75...(17) HA GLU 48 + HG3 ARG 46 OK 37 100 55 67 6.7-9.0 12339/6766=44...(4) HA GLN 50 - HG3 ARG 46 poor 17 84 20 - 5.7-10.3 Violated in 0 structures by 0.00 A. Peak 9015 from cnoeabs.peaks (1.64, 3.31, 43.64 ppm; 5.86 A): 2 out of 9 assignments used, quality = 1.00: HB ILE 76 + HD2 ARG 46 OK 99 99 100 100 4.6-7.0 3.2/9017=88, 2.1/9019=86...(27) HG3 LYS 47 + HD2 ARG 46 OK 48 98 65 76 4.9-8.5 6773/2112=38, ~10178=24...(13) HD3 LYS 39 - HD2 ARG 46 far 0 100 0 - 7.6-11.0 HB ILE 52 - HD2 ARG 46 far 0 68 0 - 8.4-12.0 HG3 LYS 73 - HD2 ARG 46 far 0 63 0 - 8.6-10.8 HD3 LYS 73 - HD2 ARG 46 far 0 77 0 - 8.6-11.5 HD2 LYS 39 - HD2 ARG 46 far 0 93 0 - 8.8-12.1 HD2 LYS 73 - HD2 ARG 46 far 0 73 0 - 9.2-11.3 HB2 LYS 40 - HD2 ARG 46 far 0 99 0 - 9.9-11.6 Violated in 4 structures by 0.02 A. Peak 9016 from cnoeabs.peaks (1.43, 3.31, 43.64 ppm; 6.11 A): 2 out of 4 assignments used, quality = 0.99: HG13 ILE 76 + HD2 ARG 46 OK 99 99 100 100 2.0-4.2 2.1/9017=99, ~9020=88...(28) QB ALA 71 + HD2 ARG 46 OK 42 96 50 87 6.5-8.0 12176/9017=48...(6) HG3 LYS 39 - HD2 ARG 46 poor 20 96 25 82 6.9-11.5 12073/9608=78, 10575/10175=17 HG13 ILE 52 - HD2 ARG 46 far 11 73 15 - 6.3-12.2 Violated in 0 structures by 0.00 A. Peak 9017 from cnoeabs.peaks (0.80, 3.31, 43.64 ppm; 4.56 A): 1 out of 9 assignments used, quality = 1.00: QD1 ILE 76 + HD2 ARG 46 OK 100 100 100 100 1.9-3.9 9020/1.8=84, 10882=69...(30) QG2 ILE 52 - HD2 ARG 46 far 5 94 5 - 5.7-9.4 QD2 LEU 42 - HD2 ARG 46 far 0 77 0 - 6.2-7.9 QG1 VAL 54 - HD2 ARG 46 far 0 68 0 - 7.9-10.0 QD2 LEU 70 - HD2 ARG 46 far 0 99 0 - 8.4-10.1 QD1 LEU 70 - HD2 ARG 46 far 0 93 0 - 8.4-9.8 QD2 LEU 2 - HD2 ARG 46 far 0 98 0 - 9.1-12.2 QD1 LEU 6 - HD2 ARG 46 far 0 84 0 - 9.3-12.0 QD2 LEU 38 - HD2 ARG 46 far 0 84 0 - 9.7-12.8 Violated in 0 structures by 0.00 A. Peak 9019 from cnoeabs.peaks (0.88, 3.31, 43.64 ppm; 5.49 A): 1 out of 3 assignments used, quality = 1.00: QG2 ILE 76 + HD2 ARG 46 OK 100 100 100 100 3.8-5.8 3452/9017=83, ~9020=63...(30) QD1 LEU 38 - HD2 ARG 46 far 0 94 0 - 8.2-11.9 QD1 LEU 2 - HD2 ARG 46 far 0 100 0 - 9.5-11.7 Violated in 7 structures by 0.05 A. Peak 9020 from cnoeabs.peaks (0.79, 3.19, 43.64 ppm; 4.31 A): 1 out of 9 assignments used, quality = 0.99: QD1 ILE 76 + HD3 ARG 46 OK 99 99 100 100 1.9-3.5 9017/1.8=71, 10881=68...(30) QG2 ILE 52 - HD3 ARG 46 far 0 98 0 - 6.0-9.4 QD2 LEU 42 - HD3 ARG 46 far 0 85 0 - 6.3-7.4 QD1 LEU 70 - HD3 ARG 46 far 0 87 0 - 7.8-9.8 QG1 VAL 54 - HD3 ARG 46 far 0 77 0 - 7.9-9.6 QD2 LEU 70 - HD3 ARG 46 far 0 96 0 - 8.2-10.3 QD1 LEU 6 - HD3 ARG 46 far 0 91 0 - 8.7-10.8 QD2 LEU 38 - HD3 ARG 46 far 0 75 0 - 8.8-13.1 QD2 LEU 2 - HD3 ARG 46 far 0 95 0 - 9.7-12.5 Violated in 0 structures by 0.00 A. Peak 9021 from cnoeabs.peaks (0.81, 1.79, 26.76 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.97: QD1 ILE 76 + HG3 ARG 46 OK 97 97 100 100 1.9-4.3 2.1/10177=53...(33) QG2 ILE 52 - HG3 ARG 46 far 3 65 5 - 5.1-8.0 QD2 LEU 2 - HG3 ARG 46 far 0 100 0 - 8.1-11.0 QD1 LEU 70 - HG3 ARG 46 far 0 100 0 - 9.0-11.7 QD2 LEU 38 - HG3 ARG 46 far 0 99 0 - 9.4-13.8 QD2 LEU 70 - HG3 ARG 46 far 0 100 0 - 9.9-11.8 Violated in 4 structures by 0.01 A. Peak 9023 from cnoeabs.peaks (0.81, 1.82, 26.76 ppm; 4.34 A): 1 out of 6 assignments used, quality = 0.97: QD1 ILE 76 + HG2 ARG 46 OK 97 97 100 100 1.9-4.0 9639/4.1=53, 9017/3.0=51...(34) QG2 ILE 52 - HG2 ARG 46 far 7 65 10 - 5.2-8.0 QD2 LEU 2 - HG2 ARG 46 far 0 100 0 - 7.2-11.3 QD1 LEU 70 - HG2 ARG 46 far 0 100 0 - 8.8-11.1 QD2 LEU 38 - HG2 ARG 46 far 0 99 0 - 8.8-13.0 QD2 LEU 70 - HG2 ARG 46 far 0 100 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 9025 from cnoeabs.peaks (0.87, 4.07, 58.19 ppm; 4.12 A): 1 out of 8 assignments used, quality = 0.98: QG2 ILE 76 + HA ARG 46 OK 98 99 100 99 2.1-4.2 3.2/9639=60, 9638=42...(28) QD1 LEU 38 - HA LYS 66 poor 20 82 35 68 4.3-7.3 ~9506=11, 12068/3.0=10...(20) QD1 LEU 2 - HA ARG 46 far 0 99 0 - 6.0-7.9 QD2 LEU 64 - HA LYS 66 far 0 84 0 - 6.7-7.9 QG1 VAL 32 - HA LYS 66 far 0 52 0 - 6.9-8.9 HG13 ILE 8 - HA LYS 66 far 0 80 0 - 8.7-10.2 QD1 LEU 38 - HA ARG 46 far 0 98 0 - 9.3-12.5 QD1 LEU 103 - HA LYS 66 far 0 85 0 - 9.8-23.2 Violated in 1 structures by 0.00 A. Peak 9026 from cnoeabs.peaks (0.79, 4.07, 58.19 ppm; 3.71 A): 5 out of 15 assignments used, quality = 1.00: QD1 ILE 76 + HA ARG 46 OK 99 99 100 100 2.6-4.3 9639=83, 9630/3.0=45...(30) QD2 LEU 70 + HA LYS 66 OK 67 79 100 85 3.2-4.5 3166/7139=29...(20) QG2 ILE 52 + HA ARG 46 OK 57 98 75 77 2.1-5.5 3.1/9027=45, ~9151=18...(11) QD1 LEU 70 + HA LYS 66 OK 57 69 100 81 3.7-5.2 4.6/7139=28, 2.1/3831=19...(19) QD2 LEU 38 + HA LYS 66 OK 24 59 50 81 3.7-7.4 9517/3.7=25, 9517/3.7=16...(28) QD2 LEU 2 - HA ARG 46 far 0 95 0 - 6.0-8.5 QD2 LEU 42 - HA ARG 46 far 0 85 0 - 6.1-7.8 QD1 LEU 27 - HA LYS 24 far 0 51 0 - 6.7-7.7 QG1 VAL 54 - HA ARG 46 far 0 77 0 - 6.9-8.5 QG2 ILE 8 - HA LYS 66 far 0 86 0 - 6.9-8.1 QD2 LEU 42 - HA LYS 66 far 0 68 0 - 8.0-9.7 QG2 VAL 32 - HA LYS 66 far 0 44 0 - 8.2-9.5 QD1 ILE 93 - HA LYS 24 far 0 52 0 - 8.2-9.1 QD1 LEU 6 - HA LYS 66 far 0 73 0 - 8.9-12.0 QD1 LEU 6 - HA ARG 46 far 0 91 0 - 9.1-11.2 Violated in 0 structures by 0.00 A. Peak 9027 from cnoeabs.peaks (0.69, 4.07, 58.19 ppm; 4.07 A): 1 out of 16 assignments used, quality = 0.91: QD1 ILE 52 + HA ARG 46 OK 91 99 100 92 1.9-4.5 9151/3.0=41, 9171=36...(16) QG2 VAL 54 - HA ARG 46 poor 8 73 30 37 4.6-6.6 11070/9025=28...(6) QD1 ILE 8 - HA LYS 66 far 0 71 0 - 5.7-7.8 QG1 VAL 58 - HA LYS 66 far 0 54 0 - 6.4-7.1 QD1 LEU 42 - HA LYS 66 far 0 87 0 - 6.6-8.1 QD1 LEU 42 - HA ARG 46 far 0 100 0 - 6.9-8.1 QG2 VAL 58 - HA LYS 66 far 0 83 0 - 7.5-7.8 QG2 VAL 78 - HA ARG 46 far 0 68 0 - 7.8-9.7 QG2 VAL 78 - HA LYS 66 far 0 52 0 - 7.9-9.0 QD1 ILE 56 - HA LYS 66 far 0 73 0 - 7.9-9.7 HG13 ILE 56 - HA LYS 66 far 0 64 0 - 8.6-11.4 QD1 ILE 56 - HA ARG 46 far 0 91 0 - 9.0-11.4 QD1 LEU 29 - HA LYS 24 far 0 39 0 - 9.1-10.9 QD2 LEU 6 - HA ARG 46 far 0 100 0 - 9.1-10.8 QD2 LEU 6 - HA LYS 66 far 0 87 0 - 9.5-12.9 QG1 VAL 5 - HA LYS 24 far 0 30 0 - 9.8-10.7 Violated in 9 structures by 0.11 A. Peak 9030 from cnoeabs.peaks (7.47, 2.30, 29.70 ppm; 5.80 A): 2 out of 3 assignments used, quality = 1.00: H LYS 47 + HB2 GLU 48 OK 100 100 100 100 5.2-6.5 6780/4.0=94...(7) H ILE 52 + HB2 GLU 48 OK 77 92 85 99 4.6-7.9 4.8/9040=69...(14) HE ARG 46 - HB2 GLU 48 far 0 100 0 - 8.6-11.3 Violated in 3 structures by 0.01 A. Peak 9031 from cnoeabs.peaks (8.55, 2.30, 29.70 ppm; 5.61 A): 2 out of 3 assignments used, quality = 0.90: H GLN 50 + HB2 GLU 48 OK 85 100 85 100 2.2-7.8 12314/3.0=89...(17) H ASN 51 + HB2 GLU 48 OK 37 98 40 93 3.9-8.9 9110/9050=41...(14) H LEU 2 - HB2 GLU 48 far 3 63 5 - 6.5-9.1 Violated in 4 structures by 0.22 A. Peak 9033 from cnoeabs.peaks (7.46, 2.33, 35.74 ppm; 5.96 A): 4 out of 7 assignments used, quality = 1.00: H LYS 47 + HG2 GLU 48 OK 99 99 100 100 4.0-5.5 6780/4.9=85...(15) H LYS 47 + HG3 GLU 44 OK 69 81 90 95 5.7-8.0 6758/4.0=84, 9029=31...(8) HE22 GLN 72 + HG3 GLU 69 OK 67 77 100 87 3.5-6.3 9571/3092=68...(11) H ILE 52 + HG2 GLU 48 OK 32 77 50 84 4.3-8.7 9030/3.0=32...(9) HE ARG 19 - HG2 GLU 16 poor 16 78 35 60 3.4-9.2 11050/689=40, ~8525=15...(4) HE ARG 46 - HG3 GLU 44 far 4 82 5 - 7.4-11.4 HE ARG 46 - HG2 GLU 48 far 0 100 0 - 7.9-10.4 Violated in 0 structures by 0.00 A. Peak 9037 from cnoeabs.peaks (0.67, 4.43, 55.95 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.91: QD1 ILE 52 + HA GLU 48 OK 91 91 100 100 4.8-6.1 9040/3.0=70, 9177/3.0=69...(27) QG2 VAL 54 - HA GLU 48 far 0 93 0 - 8.4-9.4 Violated in 18 structures by 0.55 A. Peak 9038 from cnoeabs.peaks (0.89, 2.30, 29.70 ppm; 4.98 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 2 + HB2 GLU 48 OK 100 100 100 100 3.2-5.2 9042/3.0=49, 8055=37...(31) QG2 ILE 76 - HB2 GLU 48 poor 20 100 20 - 5.7-8.0 Violated in 1 structures by 0.01 A. Peak 9039 from cnoeabs.peaks (0.77, 2.30, 29.70 ppm; 4.65 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 52 + HB2 GLU 48 OK 100 100 100 100 2.0-5.7 3.1/9040=65, ~9177=51...(40) QD2 LEU 2 + HB2 GLU 48 OK 63 63 100 99 2.9-6.1 2.1/9038=68, ~10432=33...(31) QD1 ILE 76 - HB2 GLU 48 far 0 79 0 - 7.0-9.0 QG1 VAL 54 - HB2 GLU 48 far 0 99 0 - 7.9-10.7 QG1 VAL 78 - HB2 GLU 48 far 0 84 0 - 8.4-10.7 QD2 LEU 42 - HB2 GLU 48 far 0 100 0 - 8.9-11.7 Violated in 1 structures by 0.01 A. Peak 9040 from cnoeabs.peaks (0.68, 2.30, 29.70 ppm; 4.55 A): 1 out of 3 assignments used, quality = 0.96: QD1 ILE 52 + HB2 GLU 48 OK 96 96 100 100 2.8-5.4 9177/1.8=84, 9037/3.0=59...(35) QG2 VAL 54 - HB2 GLU 48 far 0 87 0 - 6.5-8.9 QD2 LEU 6 - HB2 GLU 48 far 0 99 0 - 9.8-12.7 Violated in 6 structures by 0.13 A. Peak 9041 from cnoeabs.peaks (0.69, 2.05, 29.70 ppm; 4.16 A): 1 out of 16 assignments used, quality = 0.95: QD1 ILE 52 + HB3 GLU 48 OK 95 100 95 100 2.5-5.9 9177=99, 9040/1.8=64...(30) QD1 LEU 14 - HB3 GLU 88 poor 19 28 100 66 3.8-4.3 8402/4.3=41, 8602/3.9=35...(6) QD2 LEU 14 - HB3 GLU 88 far 0 26 0 - 6.1-6.4 QG2 VAL 54 - HB3 GLU 48 far 0 65 0 - 6.3-9.2 QD2 LEU 27 - HB2 GLU 98 far 0 30 0 - 6.9-8.1 QD2 LEU 27 - HB3 GLU 99 far 0 32 0 - 7.1-9.4 QD2 LEU 27 - HB2 GLU 99 far 0 35 0 - 7.1-9.6 QD2 LEU 27 - HB3 GLU 98 far 0 30 0 - 7.2-8.5 QG2 VAL 58 - HB3 GLU 88 far 0 28 0 - 7.3-7.8 QG1 VAL 5 - HB2 GLU 99 far 0 39 0 - 8.6-11.2 QG1 VAL 5 - HB3 GLU 99 far 0 36 0 - 9.0-12.0 QD1 ILE 8 - HB3 GLU 88 far 0 26 0 - 9.6-11.5 QD2 LEU 6 - HB3 GLU 48 far 0 100 0 - 9.6-13.3 QD2 LEU 27 - HB3 GLU 48 far 0 59 0 - 9.8-12.9 QG1 VAL 5 - HB2 GLU 98 far 0 33 0 - 9.8-11.3 QD1 ILE 56 - HB2 GLU 99 far 0 63 0 - 10.0-15.1 Violated in 12 structures by 0.36 A. Peak 9042 from cnoeabs.peaks (0.87, 2.43, 35.74 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 2 + HG3 GLU 48 OK 97 98 100 99 1.9-5.3 9038/3.0=48, 8056=37...(27) QG2 ILE 76 + HG3 GLU 48 OK 32 98 50 65 4.6-7.4 9034/6794=21...(12) QD1 LEU 103 - HG3 GLU 99 lone 0 79 30 1 3.5-10.8 HG13 ILE 7 - HG3 GLU 17 far 0 68 0 - 7.6-10.4 Violated in 4 structures by 0.04 A. Peak 9043 from cnoeabs.peaks (0.78, 2.43, 35.74 ppm; 4.56 A): 2 out of 20 assignments used, quality = 1.00: QG2 ILE 52 + HG3 GLU 48 OK 100 100 100 100 2.0-4.3 3.1/9044=57...(35) QD2 LEU 2 + HG3 GLU 48 OK 80 85 95 98 1.9-6.1 2.1/9042=57, ~9038=38...(23) QD1 ILE 76 - HG3 GLU 48 far 9 95 10 - 5.7-8.9 QD1 ILE 15 - HG3 GLU 17 far 0 67 0 - 6.3-7.5 QD1 LEU 27 - HG3 GLU 99 far 0 73 0 - 6.5-9.3 QG2 ILE 15 - HG3 GLU 17 far 0 64 0 - 6.6-7.4 QD1 ILE 93 - HG3 GLU 17 far 0 78 0 - 6.7-8.4 QG1 VAL 54 - HG3 GLU 48 far 0 90 0 - 7.1-9.6 QG2 ILE 93 - HG3 GLU 99 far 0 50 0 - 7.3-9.6 QG1 VAL 78 - HG3 GLU 48 far 0 61 0 - 7.4-10.0 QG2 ILE 7 - HG3 GLU 17 far 0 77 0 - 7.7-8.7 QD2 LEU 42 - HG3 GLU 48 far 0 95 0 - 8.2-10.8 QD2 LEU 57 - HG3 GLU 99 far 0 75 0 - 8.3-12.4 HG13 ILE 15 - HG3 GLU 17 far 0 60 0 - 8.7-9.6 QD2 LEU 2 - HG3 GLU 99 far 0 61 0 - 9.1-15.2 QG2 ILE 93 - HG3 GLU 17 far 0 53 0 - 9.1-10.8 QD1 LEU 6 - HG3 GLU 48 far 0 98 0 - 9.2-12.6 QD2 LEU 57 - HG3 GLU 17 far 0 80 0 - 9.6-11.4 QD1 ILE 93 - HG3 GLU 99 far 0 74 0 - 9.7-12.0 QG1 VAL 54 - HG3 GLU 99 far 0 65 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 9044 from cnoeabs.peaks (0.70, 2.43, 35.74 ppm; 4.29 A): 1 out of 11 assignments used, quality = 1.00: QD1 ILE 52 + HG3 GLU 48 OK 100 100 100 100 1.9-4.3 9177/3.0=66, 9175=62...(33) QD1 LEU 14 - HG3 GLU 17 poor 18 67 30 89 4.8-7.2 3.1/8431=24, 8417=24...(18) QD2 LEU 14 - HG3 GLU 17 far 12 83 15 - 5.5-6.8 QD2 LEU 27 - HG3 GLU 99 far 0 57 0 - 6.7-9.6 QG1 VAL 5 - HG3 GLU 99 far 0 61 0 - 8.5-12.3 QD2 LEU 6 - HG3 GLU 48 far 0 96 0 - 8.6-11.7 HG3 ARG 81 - HG3 GLU 99 far 0 42 0 - 8.8-12.9 QD2 LEU 27 - HG3 GLU 48 far 0 81 0 - 8.8-11.4 QG1 VAL 5 - HG3 GLU 17 far 0 65 0 - 9.5-10.7 QD1 ILE 56 - HG3 GLU 99 far 0 79 0 - 9.7-15.2 QD1 LEU 42 - HG3 GLU 48 far 0 98 0 - 9.7-12.3 Violated in 1 structures by 0.00 A. Peak 9045 from cnoeabs.peaks (2.95, 2.43, 35.74 ppm; 4.70 A): 5 out of 13 assignments used, quality = 0.98: HB3 PHE 45 + HG3 GLU 48 OK 71 98 80 91 4.3-6.9 3.0/10181=43, ~10620=32...(13) HB2 PHE 45 + HG3 GLU 48 OK 65 79 90 91 3.3-7.3 3.0/10181=43, ~10620=32...(13) HE3 LYS 90 + HG3 GLU 17 OK 57 74 85 91 2.8-7.1 11024/1.8=41...(24) HE2 LYS 13 + HG3 GLU 17 OK 31 83 60 62 4.6-8.5 11024/1.8=21...(14) HE3 LYS 13 + HG3 GLU 17 OK 30 84 60 60 4.5-7.9 ~11024=16, 11024/1.8=12...(12) HE3 LYS 47 - HG3 GLU 48 far 14 92 15 - 5.8-9.7 HE2 LYS 47 - HG3 GLU 48 poor 13 92 30 48 5.2-9.6 2222/6794=26...(5) HG2 MET 21 - HG3 GLU 17 far 0 78 0 - 6.9-10.1 HB2 ASN 51 - HG3 GLU 48 far 0 99 0 - 7.1-11.0 HE2 LYS 94 - HG3 GLU 99 far 0 48 0 - 8.6-14.2 HB2 SER 9 - HG3 GLU 17 far 0 47 0 - 8.7-11.2 HE2 LYS 94 - HG3 GLU 17 far 0 52 0 - 9.6-13.7 HE3 LYS 12 - HG3 GLU 17 far 0 80 0 - 9.7-12.7 Violated in 0 structures by 0.00 A. Peak 9049 from cnoeabs.peaks (2.41, 4.24, 59.37 ppm; 5.35 A): 3 out of 4 assignments used, quality = 1.00: HG3 GLU 48 + HA SER 49 OK 96 96 100 100 3.9-6.6 6794/10189=66...(19) HG2 GLN 50 + HA SER 49 OK 81 97 85 98 3.3-7.2 2.9/9051=72, 2.9/9052=42...(11) HG3 GLN 50 + HA SER 49 OK 51 95 55 98 4.4-7.2 2.9/9051=72, 2.9/9052=42...(11) HG3 MET 1 - HA SER 49 far 0 100 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 9050 from cnoeabs.peaks (2.29, 4.24, 59.37 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HB2 GLU 48 + HA SER 49 OK 100 100 100 100 3.9-6.0 2236/2.9=98...(28) HB2 TYR 4 - HA SER 49 far 0 100 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 9051 from cnoeabs.peaks (2.18, 4.24, 59.37 ppm; 5.19 A): 1 out of 5 assignments used, quality = 0.99: HB3 GLN 50 + HA SER 49 OK 99 100 100 100 5.1-6.1 6814/3.6=81...(16) HB3 GLU 75 - HA SER 49 far 0 99 0 - 6.9-12.6 HG2 MET 1 - HA SER 49 far 0 93 0 - 8.1-11.5 HG3 GLU 75 - HA SER 49 far 0 100 0 - 8.5-14.8 HG2 GLU 75 - HA SER 49 far 0 100 0 - 9.1-14.9 Violated in 19 structures by 0.46 A. Peak 9052 from cnoeabs.peaks (2.02, 4.24, 59.37 ppm; 4.97 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLN 50 + HA SER 49 OK 99 100 100 99 4.6-5.5 1.8/9051=75, 6813/3.6=51...(18) HB3 GLU 48 + HA SER 49 OK 79 79 100 100 4.1-5.9 4.0/10189=59, ~2236=55...(22) HB3 MET 1 - HA SER 49 far 0 96 0 - 8.3-11.4 HB3 GLU 44 - HA SER 49 far 0 94 0 - 8.8-11.5 QE MET 74 - HA SER 49 far 0 95 0 - 8.8-12.2 HB2 GLU 44 - HA SER 49 far 0 94 0 - 9.2-12.1 Violated in 1 structures by 0.00 A. Peak 9053 from cnoeabs.peaks (1.66, 4.24, 59.37 ppm; 4.64 A): 1 out of 7 assignments used, quality = 0.84: HB ILE 52 + HA SER 49 OK 84 99 85 100 3.4-6.9 2.1/9057=70, 10646=63...(29) HB ILE 76 - HA SER 49 far 5 94 5 - 5.6-11.5 HB2 LEU 2 - HA SER 49 far 3 59 5 - 6.1-9.6 HG3 LYS 47 - HA SER 49 far 0 57 0 - 7.8-9.4 HD3 LYS 47 - HA SER 49 far 0 93 0 - 8.7-10.8 HB3 LYS 53 - HA SER 49 far 0 88 0 - 8.9-12.1 HD2 LYS 47 - HA SER 49 far 0 94 0 - 9.7-11.0 Violated in 8 structures by 0.42 A. Peak 9054 from cnoeabs.peaks (1.46, 4.24, 59.37 ppm; 5.77 A): 2 out of 6 assignments used, quality = 1.00: HG13 ILE 52 + HA SER 49 OK 100 100 100 100 1.9-6.5 1.8/9055=90, 3.0/9053=89...(27) HG13 ILE 76 + HA SER 49 OK 70 88 80 99 4.6-9.5 ~9065=43, 9064/3.0=43...(21) HG2 LYS 53 - HA SER 49 far 0 100 0 - 7.6-10.4 HD2 LYS 53 - HA SER 49 far 0 100 0 - 7.6-12.6 HG2 LYS 47 - HA SER 49 far 0 73 0 - 7.7-9.4 HG3 LYS 53 - HA SER 49 far 0 99 0 - 9.3-11.8 Violated in 1 structures by 0.03 A. Peak 9055 from cnoeabs.peaks (1.02, 4.24, 59.37 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.87: HG12 ILE 52 + HA SER 49 OK 87 92 95 100 2.7-7.7 3.0/9053=82, 3.2/9057=76...(22) Violated in 5 structures by 0.30 A. Peak 9056 from cnoeabs.peaks (0.86, 4.24, 59.37 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 2 + HA SER 49 OK 93 95 100 98 4.0-5.7 12293/9051=42...(20) QG2 ILE 76 + HA SER 49 OK 74 94 80 99 2.7-7.9 9071/3.0=56, 9065/3.0=54...(26) Violated in 3 structures by 0.03 A. Peak 9057 from cnoeabs.peaks (0.75, 4.24, 59.37 ppm; 4.84 A): 1 out of 5 assignments used, quality = 0.87: QG2 ILE 52 + HA SER 49 OK 87 87 100 100 1.8-5.1 2.1/9053=80, 9066/3.0=59...(37) QG1 VAL 78 - HA SER 49 poor 20 99 20 - 5.9-11.0 QG1 VAL 54 - HA SER 49 far 0 100 0 - 7.8-11.1 QD2 LEU 42 - HA SER 49 far 0 98 0 - 7.8-11.6 QG2 VAL 78 - HA SER 49 far 0 71 0 - 8.4-13.3 Violated in 1 structures by 0.01 A. Peak 9058 from cnoeabs.peaks (0.68, 4.24, 59.37 ppm; 4.86 A): 2 out of 4 assignments used, quality = 0.99: QD1 ILE 52 + HA SER 49 OK 99 99 100 100 1.8-6.1 3.2/9053=67, 3.1/9057=66...(32) QG2 VAL 54 + HA SER 49 OK 38 77 80 61 5.5-8.9 9240/9055=24...(8) QG2 VAL 78 - HA SER 49 far 0 63 0 - 8.4-13.3 QD1 LEU 42 - HA SER 49 far 0 100 0 - 8.7-12.9 Violated in 3 structures by 0.13 A. Peak 9060 from cnoeabs.peaks (2.07, 3.98, 63.02 ppm; 6.35 A): 4 out of 8 assignments used, quality = 0.99: HB2 GLU 98 + HB3 SER 97 OK 86 90 100 96 4.7-6.5 3.0/11023=66, ~11022=57...(7) HB3 GLU 98 + HB3 SER 97 OK 84 88 100 95 5.2-7.2 3.0/11023=66, ~11022=57...(7) QE MET 21 + HB3 SER 97 OK 57 73 100 77 3.6-6.3 8624/10073=40...(8) HG12 ILE 93 + HB3 SER 97 OK 30 79 50 77 6.0-8.9 ~10324=40, 3.2/10074=32...(6) HB3 GLU 99 - HB3 SER 97 poor 14 79 60 30 6.6-9.2 3.9/7598=15...(3) HB2 MET 21 - HB3 SER 97 poor 11 96 50 23 6.9-9.1 8559/10324=8...(4) HB2 GLU 99 - HB3 SER 97 poor 10 88 45 25 6.5-8.9 3.9/7598=15, 10062/4.1=10 HG3 GLU 28 - HB3 SER 97 far 0 100 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 9062 from cnoeabs.peaks (1.97, 4.06, 63.12 ppm; 5.55 A): 2 out of 8 assignments used, quality = 0.91: HB2 ARG 46 + HB2 SER 49 OK 73 100 80 92 5.1-9.2 ~2270=28, ~10173=27...(14) HB3 ARG 46 + HB2 SER 49 OK 68 98 75 92 5.0-9.2 ~2270=28, ~10173=27...(14) QE MET 1 - HB2 SER 49 poor 20 100 20 - 6.0-11.9 HB3 MET 1 - HB2 SER 49 poor 15 75 20 - 5.7-13.6 HB3 MET 74 - HB2 SER 49 far 5 99 5 - 6.8-13.8 HB2 MET 1 - HB2 SER 49 far 0 77 0 - 7.2-14.4 HB2 LYS 47 - HB2 SER 49 far 0 100 0 - 7.2-9.5 QE MET 74 - HB2 SER 49 far 0 77 0 - 8.7-13.0 Violated in 5 structures by 0.43 A. Peak 9063 from cnoeabs.peaks (1.66, 4.06, 63.12 ppm; 5.68 A): 1 out of 6 assignments used, quality = 0.68: HB ILE 52 + HB2 SER 49 OK 68 98 70 100 3.9-8.5 2.1/9066=99, 9053/3.0=86...(18) HB ILE 76 - HB2 SER 49 far 15 98 15 - 6.5-11.4 HG3 LYS 47 - HB2 SER 49 far 0 68 0 - 7.6-10.4 HD3 LYS 47 - HB2 SER 49 far 0 87 0 - 9.1-11.9 HD2 LYS 47 - HB2 SER 49 far 0 88 0 - 9.6-12.5 HB3 LYS 53 - HB2 SER 49 far 0 81 0 - 9.9-12.7 Violated in 17 structures by 1.16 A. Peak 9064 from cnoeabs.peaks (1.46, 4.06, 63.12 ppm; 5.55 A): 2 out of 6 assignments used, quality = 0.78: HG13 ILE 76 + HB2 SER 49 OK 60 81 75 99 4.9-10.0 3.2/9065=69, ~9071=48...(17) HG13 ILE 52 + HB2 SER 49 OK 45 100 45 100 4.0-8.7 3.2/9066=89, 2.1/9067=71...(20) HG2 LYS 53 - HB2 SER 49 far 0 100 0 - 7.7-13.2 HG2 LYS 47 - HB2 SER 49 far 0 82 0 - 7.8-10.4 HG3 LYS 53 - HB2 SER 49 far 0 100 0 - 8.8-12.9 HD2 LYS 53 - HB2 SER 49 far 0 100 0 - 9.6-11.9 Violated in 9 structures by 0.13 A. Peak 9065 from cnoeabs.peaks (0.88, 4.06, 63.12 ppm; 4.37 A): 1 out of 2 assignments used, quality = 0.68: QG2 ILE 76 + HB2 SER 49 OK 68 100 70 97 4.1-7.7 9071/1.8=48, 9638=43...(23) QD1 LEU 2 - HB2 SER 49 poor 17 100 20 84 3.3-7.4 9056/3.0=26...(12) Violated in 18 structures by 1.17 A. Peak 9066 from cnoeabs.peaks (0.78, 4.06, 63.12 ppm; 4.09 A): 1 out of 6 assignments used, quality = 1.00: QG2 ILE 52 + HB2 SER 49 OK 100 100 100 100 2.1-5.4 9165/1.8=60, 2.1/9063=37...(27) QD2 LEU 2 - HB2 SER 49 far 11 75 15 - 4.8-8.2 QD1 ILE 76 - HB2 SER 49 far 0 88 0 - 5.7-9.6 QG1 VAL 78 - HB2 SER 49 far 0 73 0 - 6.8-10.6 QD2 LEU 42 - HB2 SER 49 far 0 99 0 - 8.9-11.8 QG1 VAL 54 - HB2 SER 49 far 0 96 0 - 9.6-10.9 Violated in 16 structures by 0.37 A. Peak 9067 from cnoeabs.peaks (0.68, 4.06, 63.12 ppm; 5.95 A): 1 out of 4 assignments used, quality = 0.98: QD1 ILE 52 + HB2 SER 49 OK 98 98 100 100 3.9-6.1 3.1/9066=96, 3.2/9063=74...(27) QG2 VAL 54 - HB2 SER 49 poor 16 82 20 - 7.3-8.4 QG2 VAL 78 - HB2 SER 49 far 0 57 0 - 9.0-12.7 QD1 LEU 42 - HB2 SER 49 far 0 100 0 - 9.4-13.2 Violated in 3 structures by 0.01 A. Peak 9068 from cnoeabs.peaks (1.99, 3.86, 63.12 ppm; 6.19 A): 4 out of 10 assignments used, quality = 0.99: HB2 ARG 46 + HB3 SER 49 OK 76 96 80 98 3.7-8.9 9062/1.8=43...(15) HB2 GLN 50 + HB3 SER 49 OK 69 70 100 99 6.2-7.4 ~9051=69, 4.6/9108=68...(13) HB3 ARG 46 + HB3 SER 49 OK 60 77 80 98 3.8-8.6 ~9062=40, 9062/1.8=39...(14) HB2 LYS 47 + HB3 SER 49 OK 55 91 80 76 6.6-8.5 4.7/9080=64, 4.0/6757=25...(5) HB3 MET 1 - HB3 SER 49 poor 20 98 20 - 6.2-13.8 QE MET 1 - HB3 SER 49 poor 20 98 20 - 6.6-11.7 HB3 MET 74 - HB3 SER 49 poor 18 82 60 36 6.0-13.8 10861=10, 1.8/10860=7...(8) QE MET 74 - HB3 SER 49 far 0 98 0 - 7.8-12.8 HB3 GLU 44 - HB3 SER 49 far 0 99 0 - 8.7-11.3 HB2 GLU 44 - HB3 SER 49 far 0 99 0 - 8.9-12.0 Violated in 0 structures by 0.00 A. Peak 9069 from cnoeabs.peaks (1.68, 3.86, 63.12 ppm; 5.87 A): 2 out of 6 assignments used, quality = 0.97: HB ILE 52 + HB3 SER 49 OK 94 99 95 100 3.3-7.9 2.1/9165=93, ~9066=87...(21) HB ILE 76 + HB3 SER 49 OK 49 65 75 100 6.0-11.4 2.1/9071=75, ~9065=67...(20) HB2 LEU 2 - HB3 SER 49 poor 18 91 20 - 5.7-11.6 HD3 LYS 47 - HB3 SER 49 far 0 100 0 - 8.1-10.9 HD2 LYS 47 - HB3 SER 49 far 0 100 0 - 8.8-11.8 HB3 LYS 53 - HB3 SER 49 far 0 100 0 - 9.9-11.8 Violated in 7 structures by 0.08 A. Peak 9070 from cnoeabs.peaks (1.45, 3.86, 63.12 ppm; 6.50 A): 2 out of 6 assignments used, quality = 0.96: HG13 ILE 52 + HB3 SER 49 OK 79 99 80 100 4.1-8.1 3.2/9165=91, ~9066=84...(24) HG13 ILE 76 + HB3 SER 49 OK 79 99 80 100 3.6-10.2 3.2/9071=74, ~9065=65...(24) HG2 LYS 53 - HB3 SER 49 far 5 96 5 - 7.8-12.7 QB ALA 71 - HB3 SER 49 far 0 63 0 - 8.3-13.0 HG3 LYS 53 - HB3 SER 49 far 0 91 0 - 8.5-12.3 HD2 LYS 53 - HB3 SER 49 far 0 98 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 9071 from cnoeabs.peaks (0.86, 3.86, 63.12 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.80: QG2 ILE 76 + HB3 SER 49 OK 74 94 80 99 3.2-7.5 9065/1.8=61, 9651=29...(25) QD1 LEU 2 + HB3 SER 49 OK 21 95 25 89 2.4-7.5 9056/3.0=33, 10124=22...(14) Violated in 0 structures by 0.00 A. Peak 9072 from cnoeabs.peaks (0.77, 3.86, 63.12 ppm; 4.08 A): 2 out of 6 assignments used, quality = 1.00: QG2 ILE 52 + HB3 SER 49 OK 100 100 100 100 1.9-5.2 9066/1.8=75, 9165=65...(24) QD1 ILE 76 + HB3 SER 49 OK 55 79 75 93 4.7-9.3 3.2/9071=37, ~9065=28...(22) QD2 LEU 2 - HB3 SER 49 poor 13 63 20 - 4.3-7.8 QG1 VAL 78 - HB3 SER 49 far 0 84 0 - 6.7-10.2 QD2 LEU 42 - HB3 SER 49 far 0 100 0 - 7.6-11.4 QG1 VAL 54 - HB3 SER 49 far 0 99 0 - 8.3-10.3 Violated in 7 structures by 0.12 A. Peak 9073 from cnoeabs.peaks (0.68, 3.86, 63.12 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.97: QD1 ILE 52 + HB3 SER 49 OK 96 96 100 100 2.9-5.3 3.1/9165=82, 9067/1.8=76...(28) QG2 VAL 54 + HB3 SER 49 OK 34 87 55 72 6.1-7.9 11070/9071=46...(9) QD1 LEU 42 - HB3 SER 49 far 0 99 0 - 8.3-12.9 Violated in 0 structures by 0.00 A. Peak 9074 from cnoeabs.peaks (4.39, 4.06, 63.12 ppm; 5.01 A): 3 out of 4 assignments used, quality = 0.99: HA GLN 50 + HB2 SER 49 OK 92 100 100 92 4.4-4.9 6828/9109=49, ~9051=37...(9) HA GLU 48 + HB2 SER 49 OK 69 70 100 100 4.5-6.2 6798/3.9=55...(15) HA ILE 76 + HB2 SER 49 OK 49 70 75 95 3.7-9.5 3.2/9065=60, ~9071=39...(12) HA MET 74 - HB2 SER 49 far 0 99 0 - 8.3-14.7 Violated in 0 structures by 0.00 A. Peak 9075 from cnoeabs.peaks (4.40, 4.24, 59.37 ppm; 4.26 A): 3 out of 4 assignments used, quality = 1.00: HA GLN 50 + HA SER 49 OK 97 100 100 97 4.3-4.6 3.0/9051=46, 3.0/2262=45...(14) HA GLU 48 + HA SER 49 OK 81 81 100 100 4.6-5.4 6798/2.9=63...(25) HA ILE 76 + HA SER 49 OK 46 81 70 82 3.6-9.6 ~9065=22, 3.2/9056=21...(14) HA MET 74 - HA SER 49 far 0 100 0 - 9.3-13.7 Violated in 0 structures by 0.00 A. Peak 9077 from cnoeabs.peaks (7.60, 4.24, 59.37 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.98: H GLU 48 + HA SER 49 OK 98 98 100 100 4.4-5.1 10189=96, 6795/2.9=87...(19) HE22 GLN 50 - HA SER 49 poor 18 91 20 - 3.5-8.0 H GLU 44 - HA SER 49 far 0 100 0 - 9.3-11.7 Violated in 5 structures by 0.04 A. Peak 9078 from cnoeabs.peaks (7.49, 4.24, 59.37 ppm; 5.20 A): 2 out of 3 assignments used, quality = 1.00: H ILE 52 + HA SER 49 OK 99 100 100 100 3.6-5.3 6860/9053=70...(14) H LYS 47 + HA SER 49 OK 87 96 95 95 6.0-6.7 6780/10189=71...(9) HE ARG 46 - HA SER 49 far 5 95 5 - 6.6-10.4 Violated in 0 structures by 0.00 A. Peak 9079 from cnoeabs.peaks (7.61, 4.06, 63.12 ppm; 5.51 A): 2 out of 3 assignments used, quality = 1.00: H GLU 48 + HB2 SER 49 OK 100 100 100 100 4.8-6.5 6795/3.9=89...(14) HE22 GLN 50 + HB2 SER 49 OK 31 99 40 78 3.8-8.5 9096/9074=28...(8) H GLU 44 - HB2 SER 49 far 0 98 0 - 10.0-12.9 Violated in 2 structures by 0.01 A. Peak 9080 from cnoeabs.peaks (7.62, 3.86, 63.12 ppm; 5.78 A): 1 out of 3 assignments used, quality = 1.00: H GLU 48 + HB3 SER 49 OK 100 100 100 100 4.2-5.4 6795/6805=94...(20) HE22 GLN 50 - HB3 SER 49 poor 20 100 20 - 5.4-9.4 H GLU 44 - HB3 SER 49 far 0 94 0 - 8.3-11.9 Violated in 0 structures by 0.00 A. Peak 9081 from cnoeabs.peaks (7.62, 2.43, 33.91 ppm; 4.29 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 50 + HG3 GLN 50 OK 100 100 100 100 2.6-3.5 3.5=100 H GLU 48 - HG3 GLN 50 far 5 99 5 - 5.7-9.2 Violated in 0 structures by 0.00 A. Peak 9095 from cnoeabs.peaks (7.62, 2.40, 33.91 ppm; 4.25 A): 1 out of 2 assignments used, quality = 1.00: * HE22 GLN 50 + HG2 GLN 50 OK 100 100 100 100 2.3-3.6 3.5=100 H GLU 48 - HG2 GLN 50 far 5 99 5 - 5.6-8.9 Violated in 0 structures by 0.00 A. Peak 9096 from cnoeabs.peaks (7.62, 4.40, 56.27 ppm; 4.12 A): 1 out of 2 assignments used, quality = 0.81: * HE22 GLN 50 + HA GLN 50 OK 81 100 100 81 2.3-4.6 5.7=39, 3.5/2278=34...(8) H GLU 48 - HA GLN 50 far 0 99 0 - 6.7-7.8 Violated in 16 structures by 0.18 A. Peak 9098 from cnoeabs.peaks (0.83, 2.40, 33.91 ppm; 6.39 A): 3 out of 10 assignments used, quality = 0.89: QD2 LEU 2 + HG2 GLN 50 OK 74 93 80 100 3.5-9.6 ~10629=72, ~12293=72...(18) QD2 LEU 70 + HG2 GLN 72 OK 43 60 100 73 4.7-7.3 9577/7200=31, ~9565=23...(7) QD1 LEU 70 + HG2 GLN 72 OK 26 67 60 64 5.4-8.3 ~9565=23, 4.0/9561=17...(7) QD1 LEU 38 - HG2 GLN 72 poor 17 43 40 - 6.9-10.1 QD1 ILE 76 - HG2 GLN 72 poor 6 51 50 23 7.1-8.6 9577/7200=14, 12176/9568=8 QD1 LEU 103 - HG2 GLN 72 far 4 38 10 - 6.4-18.0 QD2 LEU 103 - HG2 GLN 72 far 4 71 5 - 7.3-17.8 QD2 LEU 38 - HG2 GLN 72 far 0 70 0 - 7.9-10.9 QD1 ILE 76 - HG2 GLN 50 far 0 82 0 - 8.2-12.3 QD2 LEU 64 - HG2 GLN 72 far 0 41 0 - 8.5-11.4 Violated in 1 structures by 0.00 A. Peak 9100 from cnoeabs.peaks (0.78, 2.43, 33.91 ppm; 5.61 A): 4 out of 13 assignments used, quality = 0.99: QG2 ILE 52 + HG3 GLN 50 OK 92 100 95 96 4.3-7.3 10643/2.9=39...(17) QD2 LEU 70 + HG2 GLN 72 OK 55 72 90 85 4.7-7.3 10847/7174=30...(8) QD2 LEU 2 + HG3 GLN 50 OK 48 75 65 99 4.7-10.7 ~10629=58, ~12293=58...(16) QG1 VAL 78 + HG2 GLN 72 OK 46 69 90 75 5.0-8.0 10847/7174=50, ~9566=31...(5) QD2 LEU 42 - HG2 GLN 72 far 9 95 10 - 6.8-9.2 QD1 LEU 70 - HG2 GLN 72 far 9 57 15 - 5.4-8.3 QD1 ILE 76 - HG2 GLN 72 far 0 83 0 - 7.1-8.6 QD1 LEU 64 - HG2 GLN 72 far 0 61 0 - 8.0-10.4 QD1 ILE 76 - HG3 GLN 50 far 0 88 0 - 8.4-12.7 QG1 VAL 54 - HG2 GLN 72 far 0 91 0 - 8.7-12.0 QD1 LEU 6 - HG2 GLN 72 far 0 97 0 - 9.5-12.9 QG1 VAL 78 - HG3 GLN 50 far 0 73 0 - 9.6-13.0 QG2 ILE 52 - HG2 GLN 72 far 0 98 0 - 9.6-15.6 Violated in 1 structures by 0.01 A. Peak 9103 from cnoeabs.peaks (0.70, 2.02, 28.95 ppm; 4.85 A): 3 out of 16 assignments used, quality = 0.84: QD1 ILE 52 + HB2 GLN 50 OK 64 100 70 91 4.9-8.1 3.1/10643=30...(19) QD1 LEU 14 + HB3 GLU 17 OK 41 77 60 90 4.2-6.6 4.0/593=49, 8417/3.0=24...(13) QD2 LEU 14 + HB3 GLU 17 OK 23 83 30 92 5.0-7.0 4.0/593=49, 8400/4.6=19...(15) QD2 LEU 6 - HB2 GLU 44 poor 17 49 35 - 5.7-8.3 QD1 ILE 52 - HB2 GLU 44 poor 17 51 55 59 5.6-7.0 9152/4.7=40, 9149/3.9=20...(6) QD1 ILE 52 - HB3 GLU 44 poor 15 51 50 56 5.4-7.5 9152/4.7=40, 9149/3.9=20...(4) QD2 LEU 27 - HB2 GLU 98 far 0 25 0 - 6.9-8.1 QD2 LEU 6 - HB3 GLU 44 far 0 49 0 - 6.9-8.3 QD1 LEU 42 - HB2 GLU 44 far 0 50 0 - 7.1-9.0 QD2 LEU 27 - HB3 GLU 98 far 0 26 0 - 7.2-8.5 QD1 LEU 42 - HB3 GLU 44 far 0 50 0 - 7.4-9.0 QG1 VAL 5 - HB3 GLU 17 far 0 61 0 - 7.8-9.4 QD1 ILE 56 - HB2 GLU 44 far 0 49 0 - 8.1-11.4 QD1 ILE 56 - HB3 GLU 44 far 0 49 0 - 9.2-12.1 QG2 VAL 78 - HB2 GLU 44 far 0 38 0 - 9.5-11.7 QG1 VAL 5 - HB2 GLU 98 far 0 28 0 - 9.8-11.3 Violated in 12 structures by 0.28 A. Peak 9111 from cnoeabs.peaks (2.00, 2.95, 39.58 ppm; 4.85 A): 3 out of 3 assignments used, quality = 1.00: HB3 MET 1 + HB2 ASN 51 OK 100 100 100 100 1.9-4.7 3.0/9131=71, 4.2/8030=61...(20) QE MET 1 + HB2 ASN 51 OK 88 88 100 100 1.8-4.7 8030=84, 8032/3.0=66...(17) HB2 GLN 50 + HB2 ASN 51 OK 34 87 40 97 5.2-7.4 4.6/6835=61, ~12284=42...(14) Violated in 0 structures by 0.00 A. Peak 9114 from cnoeabs.peaks (2.30, 2.67, 39.58 ppm; 4.72 A): 0 out of 2 assignments used, quality = 0.00: HB2 GLU 48 - HB3 ASN 51 far 5 100 5 - 6.2-11.1 HG2 GLU 48 - HB3 ASN 51 far 0 77 0 - 7.9-12.2 Violated in 20 structures by 3.33 A. Peak 9115 from cnoeabs.peaks (1.99, 2.67, 39.58 ppm; 4.64 A): 3 out of 3 assignments used, quality = 1.00: QE MET 1 + HB3 ASN 51 OK 98 99 100 100 2.9-5.4 8030/1.8=87, 8032/3.0=73...(14) HB3 MET 1 + HB3 ASN 51 OK 86 96 90 100 3.2-6.4 3.0/8006=63, ~8005=49...(30) HB2 GLN 50 + HB3 ASN 51 OK 48 65 75 97 3.8-6.9 4.6/6836=60...(14) Violated in 0 structures by 0.00 A. Peak 9116 from cnoeabs.peaks (0.79, 2.67, 39.58 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.98: QG2 ILE 52 + HB3 ASN 51 OK 96 97 100 99 4.2-6.5 2.1/10634=66...(14) QD2 LEU 2 + HB3 ASN 51 OK 52 96 55 100 2.4-7.6 2.1/10631=71, ~9126=42...(17) QD2 LEU 103 - HB3 ASN 51 far 0 70 0 - 9.9-16.2 Violated in 11 structures by 0.17 A. Peak 9131 from cnoeabs.peaks (4.17, 2.95, 39.58 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.99: HA MET 1 + HB2 ASN 51 OK 99 99 100 100 2.1-5.5 8005=91, 8006/1.8=74...(17) Violated in 4 structures by 0.09 A. Peak 9132 from cnoeabs.peaks (4.44, 2.95, 39.58 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.73: HA LEU 2 + HB2 ASN 51 OK 73 87 90 93 6.0-8.4 8002/9131=61...(8) HA ILE 76 - HB2 ASN 51 far 0 99 0 - 9.4-11.5 HA GLU 48 - HB2 ASN 51 far 0 99 0 - 9.8-11.0 Violated in 17 structures by 0.77 A. Peak 9134 from cnoeabs.peaks (4.16, 2.67, 39.58 ppm; 4.80 A): 1 out of 1 assignment used, quality = 0.95: HA MET 1 + HB3 ASN 51 OK 95 100 95 100 2.9-6.5 8006=99, 8005/1.8=90...(28) Violated in 8 structures by 0.24 A. Peak 9140 from cnoeabs.peaks (6.43, 5.34, 59.36 ppm; 5.79 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 4 + HA ILE 52 OK 100 100 100 100 4.2-5.5 9143/3.2=45, ~9143=40...(27) QE TYR 4 + HA ILE 52 OK 94 94 100 100 3.9-5.3 8156/3.8=57, 9143/3.2=53...(24) Violated in 0 structures by 0.00 A. Peak 9141 from cnoeabs.peaks (5.01, 5.34, 59.36 ppm; 5.91 A): 2 out of 3 assignments used, quality = 0.93: HA ASN 51 + HA ILE 52 OK 81 81 100 100 4.6-4.7 6854/3.0=81, ~6839=66...(18) HA LYS 53 + HA ILE 52 OK 65 65 100 100 4.4-4.6 3.0/6868=100...(17) HA LYS 53 - HA THR 80 far 0 38 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 9142 from cnoeabs.peaks (6.45, 1.67, 42.16 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HB ILE 52 OK 100 100 100 100 2.2-4.8 9143/2.1=49, 8156/3.0=40...(29) QD TYR 4 + HB ILE 52 OK 98 98 100 100 2.9-5.8 9143/2.1=41, 9148/3.2=36...(37) Violated in 1 structures by 0.01 A. Peak 9143 from cnoeabs.peaks (6.43, 0.78, 17.78 ppm; 3.33 A): 2 out of 2 assignments used, quality = 0.98: QE TYR 4 + QG2 ILE 52 OK 92 98 100 94 2.1-4.4 9148/3.1=22, 8158=22...(30) QD TYR 4 + QG2 ILE 52 OK 77 100 80 96 3.8-5.0 9148/3.1=22, 2.2/8158=20...(36) Violated in 14 structures by 0.30 A. Peak 9144 from cnoeabs.peaks (6.68, 0.78, 17.78 ppm; 4.98 A): 1 out of 1 assignment used, quality = 0.87: QD PHE 45 + QG2 ILE 52 OK 87 88 100 98 4.3-5.6 9147/3.1=81...(14) Violated in 17 structures by 0.19 A. Peak 9145 from cnoeabs.peaks (6.45, 1.04, 27.19 ppm; 4.72 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + HG12 ILE 52 OK 100 100 100 100 2.3-6.1 8156=50, 9148/2.1=47...(24) QD TYR 4 + HG12 ILE 52 OK 97 97 100 100 2.7-5.8 2.2/8156=48, 9148/2.1=47...(29) Violated in 4 structures by 0.08 A. Peak 9146 from cnoeabs.peaks (6.43, 1.46, 27.19 ppm; 4.49 A): 2 out of 5 assignments used, quality = 1.00: QE TYR 4 + HG13 ILE 52 OK 98 98 100 100 2.0-5.8 9148/2.1=44, 8156/1.8=44...(29) QD TYR 4 + HG13 ILE 52 OK 95 100 95 100 2.0-6.0 9148/2.1=44, ~8156=37...(36) QD TYR 4 - HG LEU 29 far 0 68 0 - 7.1-9.3 QE TYR 4 - HG LEU 29 far 0 63 0 - 9.1-11.2 QD TYR 4 - HG LEU 38 far 0 93 0 - 9.7-13.0 Violated in 4 structures by 0.08 A. Peak 9147 from cnoeabs.peaks (6.68, 0.69, 14.38 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.87: QD PHE 45 + QD1 ILE 52 OK 87 88 100 98 2.7-3.8 3.7/9170=53, 9144/3.1=45...(18) Violated in 0 structures by 0.00 A. Peak 9148 from cnoeabs.peaks (6.44, 0.69, 14.38 ppm; 3.66 A): 2 out of 2 assignments used, quality = 1.00: QE TYR 4 + QD1 ILE 52 OK 98 100 100 98 2.0-3.9 9143/3.1=32, 14597=25...(31) QD TYR 4 + QD1 ILE 52 OK 98 99 100 99 2.4-4.1 9143/3.1=27, 9146/2.1=24...(34) Violated in 0 structures by 0.00 A. Peak 9149 from cnoeabs.peaks (7.61, 0.69, 14.38 ppm; 5.30 A): 3 out of 4 assignments used, quality = 1.00: H GLU 48 + QD1 ILE 52 OK 100 100 100 100 3.3-4.5 9036=99, 6792/9177=86...(23) H GLU 44 + QD1 ILE 52 OK 86 99 90 97 6.2-6.8 6722/9152=58...(10) HE22 GLN 50 + QD1 ILE 52 OK 30 99 35 86 5.3-8.2 9092/3.1=32...(9) H LYS 40 - QD1 ILE 52 far 0 92 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 9150 from cnoeabs.peaks (7.72, 0.69, 14.38 ppm; 5.55 A): 3 out of 4 assignments used, quality = 1.00: H SER 49 + QD1 ILE 52 OK 99 99 100 100 1.8-5.0 9048=99, 6795/9036=79...(27) HD22 ASN 51 + QD1 ILE 52 OK 37 73 60 85 5.2-8.9 ~10634=37, ~9116=27...(10) H VAL 78 + QD1 ILE 52 OK 21 63 60 54 5.9-8.5 4.6/10897=29...(7) H MET 74 - QD1 ILE 52 far 0 79 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 9151 from cnoeabs.peaks (8.04, 0.69, 14.38 ppm; 5.19 A): 1 out of 4 assignments used, quality = 0.97: H ARG 46 + QD1 ILE 52 OK 97 97 100 100 2.9-4.7 3.0/9512=86, 3.6/9170=80...(20) H GLU 75 - QD1 ILE 52 far 0 59 0 - 7.8-10.7 H GLY 101 - QD1 ILE 52 far 0 97 0 - 9.4-12.0 H SER 102 - QD1 ILE 52 far 0 90 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 9152 from cnoeabs.peaks (8.26, 0.69, 14.38 ppm; 5.75 A): 1 out of 3 assignments used, quality = 1.00: H PHE 45 + QD1 ILE 52 OK 100 100 100 100 4.0-4.6 3.0/9170=96...(18) H ALA 71 - QD1 ILE 52 far 0 100 0 - 9.3-11.1 H LEU 27 - QD1 ILE 52 far 0 88 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 9155 from cnoeabs.peaks (0.59, 5.34, 59.36 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.69: QG2 ILE 56 + HA THR 80 OK 69 69 100 100 2.6-4.0 9307=100, 2.1/9302=94...(29) QD1 ILE 7 - HA THR 80 far 0 53 0 - 7.7-8.4 Violated in 0 structures by 0.00 A. Peak 9156 from cnoeabs.peaks (0.42, 5.34, 59.36 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.81: QD1 LEU 55 + HA THR 80 OK 62 62 100 100 3.6-5.2 9258=85, 2544/9299=72...(17) HG2 ARG 81 + HA THR 80 OK 50 68 75 99 4.0-6.6 4.9/7311=65...(16) Violated in 0 structures by 0.00 A. Peak 9157 from cnoeabs.peaks (0.25, 5.34, 59.36 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 3 + HA ILE 52 OK 99 99 100 100 4.8-5.7 8102=99, 9182/6868=86...(18) QD2 LEU 3 - HA THR 80 far 0 68 0 - 9.8-10.9 Violated in 1 structures by 0.01 A. Peak 9158 from cnoeabs.peaks (1.32, 5.34, 59.36 ppm; 4.38 A): 3 out of 9 assignments used, quality = 1.00: HB3 LEU 2 + HA ILE 52 OK 96 96 100 100 3.6-5.3 1.8/8046=74, 8047=65...(36) HG LEU 3 + HA ILE 52 OK 91 93 100 98 4.2-5.7 2.1/8102=51, 2.1/8103=37...(20) QB ALA 67 + HA THR 80 OK 57 60 100 95 4.1-5.0 9528/9307=48...(14) HG3 LYS 68 - HA THR 80 far 5 45 10 - 4.7-7.5 HB2 LYS 82 - HA THR 80 far 0 53 0 - 6.7-7.7 HB3 LEU 27 - HA ILE 52 far 0 84 0 - 8.1-10.6 QB ALA 89 - HA THR 80 far 0 57 0 - 8.5-9.3 HB3 LEU 42 - HA THR 80 far 0 63 0 - 9.6-10.9 HB3 LEU 42 - HA ILE 52 far 0 96 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9159 from cnoeabs.peaks (1.98, 5.34, 59.36 ppm; 5.25 A): 3 out of 7 assignments used, quality = 1.00: QE MET 1 + HA ILE 52 OK 100 100 100 100 3.6-5.4 8033=100, 8037/3.0=77...(23) HB3 MET 1 + HA ILE 52 OK 82 82 100 100 4.0-6.6 3.0/8004=75, 3.0/8034=69...(18) HB2 MET 1 + HA ILE 52 OK 69 70 100 100 4.9-6.3 3.0/8004=75, 3.0/8034=69...(13) HB3 ARG 46 - HA ILE 52 far 0 96 0 - 7.9-11.8 HB2 ARG 46 - HA ILE 52 far 0 100 0 - 8.4-12.0 HB VAL 32 - HA THR 80 far 0 40 0 - 9.4-10.7 QE MET 74 - HA THR 80 far 0 52 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 9160 from cnoeabs.peaks (2.20, 5.34, 59.36 ppm; 5.43 A): 2 out of 3 assignments used, quality = 1.00: HG2 MET 1 + HA ILE 52 OK 100 100 100 100 2.9-5.8 8034=100, 3.3/8033=77...(21) HB3 GLN 50 + HA ILE 52 OK 25 88 30 96 5.8-8.1 ~9139=38, 4.6/10200=34...(14) HB2 GLU 63 - HA THR 80 far 0 70 0 - 7.7-10.0 Violated in 0 structures by 0.00 A. Peak 9162 from cnoeabs.peaks (5.15, 0.78, 17.78 ppm; 4.85 A): 2 out of 4 assignments used, quality = 0.88: HA LEU 3 + QG2 ILE 52 OK 72 87 100 83 4.4-6.2 9178/4.3=33, 8105/3.2=32...(14) HA ILE 7 + QG2 ILE 8 OK 56 56 100 100 5.4-5.4 6087/4.0=74, 8273/2.1=72...(17) HA VAL 54 - QG2 ILE 52 far 10 100 10 - 5.1-7.4 HA TYR 4 - QG2 ILE 52 far 0 99 0 - 6.7-8.3 Violated in 15 structures by 0.08 A. Peak 9163 from cnoeabs.peaks (4.43, 0.78, 17.78 ppm; 4.61 A): 6 out of 8 assignments used, quality = 1.00: HA GLU 48 + QG2 ILE 52 OK 100 100 100 100 4.3-6.1 9037/3.1=60...(29) HA GLN 50 + QG2 ILE 52 OK 77 79 100 97 3.5-5.0 9139/2350=42...(19) HA SER 9 + QG2 ILE 8 OK 68 68 100 100 3.5-4.0 ~6103=45, ~6102=41...(21) HA VAL 32 + QG2 ILE 8 OK 61 61 100 100 4.3-5.4 ~12200=39, ~12204=36...(31) HA ILE 76 + QG2 ILE 52 OK 56 100 65 86 3.9-7.6 8317/3.1=33, ~10640=17...(18) HA LEU 2 + QG2 ILE 52 OK 33 65 50 100 5.1-6.9 3.0/12274=46, ~8044=34...(26) HA MET 74 - QG2 ILE 52 far 0 87 0 - 8.9-12.1 HB THR 84 - QG2 ILE 8 far 0 64 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9164 from cnoeabs.peaks (4.06, 0.78, 17.78 ppm; 4.90 A): 3 out of 4 assignments used, quality = 1.00: HB2 SER 49 + QG2 ILE 52 OK 100 100 100 100 2.1-5.4 9066=100, 1.8/9165=82...(27) HA ARG 46 + QG2 ILE 52 OK 92 97 100 95 2.1-5.5 9512/3.1=72, ~9151=35...(13) HB3 SER 59 + QG2 ILE 8 OK 30 54 75 75 4.8-6.9 4.0/9396=45, 4.6/9419=32...(8) HA LYS 66 - QG2 ILE 8 far 0 60 0 - 6.9-8.1 Violated in 0 structures by 0.00 A. Peak 9165 from cnoeabs.peaks (3.86, 0.78, 17.78 ppm; 4.62 A): 1 out of 13 assignments used, quality = 1.00: HB3 SER 49 + QG2 ILE 52 OK 100 100 100 100 1.9-5.2 1.8/9066=90, 9072=64...(26) HA LEU 38 - QG2 ILE 8 far 10 65 15 - 5.9-6.9 HA ALA 67 - QG2 ILE 8 far 7 66 10 - 5.9-7.4 HA GLU 43 - QG2 ILE 52 far 5 92 5 - 6.1-9.0 HA GLU 35 - QG2 ILE 8 lone 5 53 55 16 5.5-6.5 8306/3.0=9, 8934/302=2...(4) HA3 GLY 101 - QG2 ILE 52 far 0 77 0 - 7.3-10.3 HA ALA 71 - QG2 ILE 52 far 0 95 0 - 7.4-11.0 HA2 GLY 101 - QG2 ILE 52 far 0 100 0 - 7.6-10.9 HA2 GLY 100 - QG2 ILE 52 far 0 100 0 - 8.6-10.6 HA LYS 12 - QG2 ILE 8 far 0 67 0 - 8.9-9.6 HB2 SER 102 - QG2 ILE 52 far 0 75 0 - 8.9-14.9 HA ALA 89 - QG2 ILE 8 far 0 35 0 - 9.6-10.5 HA LYS 40 - QG2 ILE 52 far 0 100 0 - 9.9-12.6 Violated in 4 structures by 0.05 A. Peak 9166 from cnoeabs.peaks (2.97, 0.78, 17.78 ppm; 4.10 A): 4 out of 9 assignments used, quality = 1.00: HB3 PHE 45 + QG2 ILE 52 OK 97 100 100 98 3.0-5.5 2.5/9144=49...(23) HB2 PHE 45 + QG2 ILE 52 OK 95 98 100 97 3.1-5.3 2.5/9144=49...(22) HB2 ASN 51 + QG2 ILE 52 OK 60 87 75 92 4.5-6.1 4.6/2350=43, ~10634=32...(15) HB2 SER 9 + QG2 ILE 8 OK 47 56 100 83 4.6-5.6 6109/4.1=47, 1.8/8329=22...(8) HE2 LYS 47 - QG2 ILE 52 far 0 100 0 - 7.0-9.5 HE3 LYS 47 - QG2 ILE 52 far 0 100 0 - 7.7-10.1 HE2 LYS 12 - QG2 ILE 8 far 0 36 0 - 8.7-12.5 HB3 ASP 11 - QG2 ILE 8 far 0 53 0 - 8.8-9.7 HE3 LYS 12 - QG2 ILE 8 far 0 68 0 - 9.1-13.2 Violated in 0 structures by 0.00 A. Peak 9167 from cnoeabs.peaks (2.40, 0.78, 17.78 ppm; 5.39 A): 4 out of 6 assignments used, quality = 1.00: HG2 GLN 50 + QG2 ILE 52 OK 96 100 100 96 3.7-6.5 2.9/10643=37...(20) HG3 MET 1 + QG2 ILE 52 OK 87 88 100 98 4.5-6.3 ~8034=52, 8035/3.2=50...(17) HG3 GLU 48 + QG2 ILE 52 OK 69 70 100 100 2.0-4.3 ~9177=51, 3.0/10643=49...(33) HG3 GLN 50 + QG2 ILE 52 OK 59 65 95 94 4.3-7.3 2.9/10643=37...(17) HB2 ASP 11 - QG2 ILE 8 far 0 36 0 - 7.9-9.2 HG2 GLN 72 - QG2 ILE 52 far 0 79 0 - 9.6-15.6 Violated in 0 structures by 0.00 A. Peak 9168 from cnoeabs.peaks (2.96, 1.04, 27.19 ppm; 5.78 A): 3 out of 4 assignments used, quality = 1.00: HB3 PHE 45 + HG12 ILE 52 OK 99 99 100 100 3.6-5.5 ~9147=77, ~9170=71...(20) HB2 PHE 45 + HG12 ILE 52 OK 84 84 100 100 3.1-6.1 ~9147=77, ~9170=71...(20) HB2 ASN 51 + HG12 ILE 52 OK 58 99 60 98 6.4-8.0 6855/6862=81, ~10634=58...(7) HE2 LYS 47 - HG12 ILE 52 far 0 95 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 9169 from cnoeabs.peaks (2.95, 1.46, 27.19 ppm; 5.37 A): 5 out of 19 assignments used, quality = 0.99: HB3 PHE 45 + HG13 ILE 52 OK 93 93 100 100 3.4-5.9 ~9147=69, ~9170=63...(22) HB2 PHE 45 + HG13 ILE 52 OK 67 68 100 100 3.2-6.0 ~9147=69, ~9170=63...(22) HE3 LYS 90 + HG3 ARG 91 OK 44 53 100 83 3.1-6.8 ~4039=28, ~4047=21...(18) HE2 LYS 68 + HG LEU 64 OK 32 33 100 97 3.4-6.7 ~10242=45, ~9484=36...(17) HG2 MET 21 + HG3 ARG 91 OK 25 55 85 54 5.1-8.3 ~9962=17, 12042/2.8=12...(10) HB2 ASN 51 - HG13 ILE 52 poor 20 100 20 - 6.2-8.1 HG2 MET 21 - HG LEU 29 poor 13 66 20 - 6.5-10.3 HE2 LYS 94 - HG3 ARG 91 poor 10 39 70 35 4.0-9.7 12238/4.0=7, ~3435=3...(19) HE3 LYS 20 - HG LEU 29 poor 10 38 25 - 6.4-11.9 HE3 LYS 94 - HG3 ARG 91 poor 8 29 70 37 4.6-9.3 12238/4.0=7, ~3435=3...(19) HE2 LYS 73 - HG LEU 38 far 0 92 0 - 7.6-14.2 HE2 LYS 20 - HG LEU 29 far 0 37 0 - 8.0-11.9 HE3 LYS 73 - HG LEU 38 far 0 93 0 - 9.2-13.0 HE2 LYS 47 - HG13 ILE 52 far 0 84 0 - 9.2-12.7 HE3 LYS 90 - HG LEU 29 far 0 63 0 - 9.5-13.6 HE2 LYS 13 - HG3 ARG 91 far 0 53 0 - 9.6-13.0 HE3 LYS 13 - HG3 ARG 91 far 0 55 0 - 9.7-14.1 HB2 PHE 45 - HG LEU 38 far 0 57 0 - 9.9-14.6 HE3 LYS 47 - HG13 ILE 52 far 0 84 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 9170 from cnoeabs.peaks (4.54, 0.69, 14.38 ppm; 3.97 A): 1 out of 2 assignments used, quality = 0.96: HA PHE 45 + QD1 ILE 52 OK 96 96 100 100 2.2-3.4 8997=61, 3.7/9147=48...(25) HA ASP 77 - QD1 ILE 52 far 0 70 0 - 5.5-8.3 Violated in 0 structures by 0.00 A. Peak 9171 from cnoeabs.peaks (4.06, 0.69, 14.38 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 46 + QD1 ILE 52 OK 98 99 100 100 1.9-4.5 9512=95, 3.0/9151=53...(16) HB2 SER 49 + QD1 ILE 52 OK 95 100 95 100 3.9-6.1 9066/3.1=70, 3.0/9172=45...(26) Violated in 0 structures by 0.00 A. Peak 9172 from cnoeabs.peaks (4.25, 0.69, 14.38 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.99: HA SER 49 + QD1 ILE 52 OK 99 99 100 100 1.8-6.1 9055/2.1=83, 9053/3.2=82...(32) Violated in 2 structures by 0.03 A. Peak 9173 from cnoeabs.peaks (4.44, 0.69, 14.38 ppm; 5.12 A): 3 out of 3 assignments used, quality = 1.00: HA GLU 48 + QD1 ILE 52 OK 96 96 100 100 4.8-6.1 3.0/9177=85, 9037=82...(26) HA ILE 76 + QD1 ILE 52 OK 85 96 95 94 3.9-6.8 8317=44, 3.2/10640=42...(16) HA LEU 2 + QD1 ILE 52 OK 42 93 45 100 5.3-7.8 3.0/12275=78, ~8051=54...(20) Violated in 0 structures by 0.00 A. Peak 9174 from cnoeabs.peaks (2.96, 0.69, 14.38 ppm; 3.64 A): 2 out of 5 assignments used, quality = 1.00: HB3 PHE 45 + QD1 ILE 52 OK 98 100 100 98 1.7-3.1 2.5/9147=54, 3.0/9170=50...(30) HB2 PHE 45 + QD1 ILE 52 OK 92 94 100 98 1.7-3.2 2.5/9147=54, 3.0/9170=50...(30) HE2 LYS 47 - QD1 ILE 52 far 0 99 0 - 6.0-9.0 HB2 ASN 51 - QD1 ILE 52 far 0 93 0 - 6.9-7.8 HE3 LYS 47 - QD1 ILE 52 far 0 99 0 - 7.0-9.4 Violated in 0 structures by 0.00 A. Peak 9175 from cnoeabs.peaks (2.43, 0.69, 14.38 ppm; 4.33 A): 2 out of 5 assignments used, quality = 1.00: HG3 GLU 48 + QD1 ILE 52 OK 100 100 100 100 1.9-4.3 9044=84, 3.0/9177=67...(33) HB3 TYR 4 + QD1 ILE 52 OK 57 81 75 95 4.7-6.8 2.5/9148=41, 4.4/9148=26...(21) HG3 GLN 50 - QD1 ILE 52 far 5 100 5 - 5.8-8.7 HG2 GLN 50 - QD1 ILE 52 far 4 77 5 - 5.7-8.0 HG3 MET 1 - QD1 ILE 52 far 0 98 0 - 6.1-7.5 Violated in 0 structures by 0.00 A. Peak 9176 from cnoeabs.peaks (2.31, 0.69, 14.38 ppm; 3.95 A): 3 out of 5 assignments used, quality = 1.00: HB2 GLU 48 + QD1 ILE 52 OK 99 99 100 100 2.8-5.4 1.8/9177=73, 9040=60...(33) HG2 GLU 48 + QD1 ILE 52 OK 85 85 100 100 2.0-5.1 3.0/9177=57, 1.8/9044=56...(28) HB2 TYR 4 + QD1 ILE 52 OK 74 95 85 92 3.8-5.7 2.5/9148=36, 1.8/9175=24...(20) HG3 GLU 43 - QD1 ILE 52 far 0 97 0 - 7.3-8.9 HB2 TYR 41 - QD1 ILE 52 far 0 100 0 - 7.8-9.4 Violated in 1 structures by 0.01 A. Peak 9177 from cnoeabs.peaks (2.04, 0.69, 14.38 ppm; 4.02 A): 1 out of 10 assignments used, quality = 0.89: HB3 GLU 48 + QD1 ILE 52 OK 89 99 90 100 2.5-5.9 9041=74, 1.8/9040=58...(30) HB2 GLN 50 - QD1 ILE 52 poor 19 96 20 - 4.9-8.1 HB3 GLU 44 - QD1 ILE 52 far 3 59 5 - 5.4-7.5 HB2 GLU 44 - QD1 ILE 52 far 0 59 0 - 5.6-7.0 HB2 MET 74 - QD1 ILE 52 far 0 88 0 - 6.0-9.6 HG3 GLU 28 - QD1 ILE 52 far 0 87 0 - 6.5-10.5 QE MET 74 - QD1 ILE 52 far 0 61 0 - 6.6-8.8 HB3 GLU 43 - QD1 ILE 52 far 0 85 0 - 7.0-8.5 HB3 MET 1 - QD1 ILE 52 far 0 63 0 - 7.0-9.4 HG2 GLU 28 - QD1 ILE 52 far 0 87 0 - 7.7-11.4 Violated in 12 structures by 0.45 A. Peak 9186 from cnoeabs.peaks (0.25, 1.84, 36.45 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 3 + HB2 LYS 53 OK 99 99 100 100 1.8-2.1 8115=98, 8114/1.8=84...(28) Violated in 0 structures by 0.00 A. Peak 9187 from cnoeabs.peaks (1.30, 1.69, 36.45 ppm; 5.27 A): 1 out of 4 assignments used, quality = 1.00: HG LEU 3 + HB3 LYS 53 OK 100 100 100 100 3.0-5.0 2.1/8114=100, ~9186=79...(23) HB3 LEU 2 - HB3 LYS 53 far 4 73 5 - 5.6-9.3 QB ALA 25 - HB3 LYS 53 far 0 61 0 - 8.9-10.2 HB3 LEU 42 - HB3 LYS 53 far 0 100 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 9188 from cnoeabs.peaks (0.44, 1.69, 36.45 ppm; 5.38 A): 2 out of 3 assignments used, quality = 0.98: QD1 LEU 3 + HB3 LYS 53 OK 92 92 100 100 4.5-5.6 2.1/8114=100, ~9186=82...(23) QD1 LEU 55 + HB3 LYS 53 OK 80 100 95 85 5.7-8.3 9274/9204=41...(9) HG2 ARG 81 - HB3 LYS 53 far 0 96 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 9189 from cnoeabs.peaks (0.23, 1.69, 36.45 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.85: QD2 LEU 3 + HB3 LYS 53 OK 85 85 100 100 2.3-3.0 8114=80, 9186/1.8=71...(22) Violated in 0 structures by 0.00 A. Peak 9190 from cnoeabs.peaks (0.44, 1.84, 36.45 ppm; 5.86 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 3 + HB2 LYS 53 OK 92 92 100 100 3.9-4.5 2.1/9186=100, ~8114=94...(27) QD1 LEU 55 + HB2 LYS 53 OK 71 100 80 90 6.6-7.5 9274/9206=50...(10) Violated in 0 structures by 0.00 A. Peak 9191 from cnoeabs.peaks (0.25, 1.46, 25.00 ppm; 4.16 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 3 + HG2 LYS 53 OK 99 99 100 100 2.4-3.9 8114/3.0=73, 9186/3.0=66...(33) QD2 LEU 3 + HG3 LYS 53 OK 99 99 100 100 1.8-3.4 8114/3.0=73, 9186/3.0=66...(34) Violated in 0 structures by 0.00 A. Peak 9192 from cnoeabs.peaks (0.24, 1.46, 29.44 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.97: QD2 LEU 3 + HD2 LYS 53 OK 97 97 100 100 3.2-4.6 8114/3.6=59, 9186/3.6=56...(25) Violated in 12 structures by 0.18 A. Peak 9193 from cnoeabs.peaks (0.23, 1.55, 29.44 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.85: QD2 LEU 3 + HD3 LYS 53 OK 85 85 100 100 2.7-5.2 9192/1.8=91...(24) Violated in 1 structures by 0.02 A. Peak 9194 from cnoeabs.peaks (0.44, 1.55, 29.44 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.87: QD1 LEU 3 + HD3 LYS 53 OK 87 92 95 100 5.3-7.1 2.1/9193=91, ~9192=81...(26) QD1 LEU 55 - HD3 LYS 53 poor 20 100 25 79 6.1-8.9 9188/2451=33...(10) HG2 ARG 81 - HD3 LYS 53 far 0 96 0 - 9.6-14.5 Violated in 19 structures by 0.68 A. Peak 9195 from cnoeabs.peaks (0.44, 1.46, 29.44 ppm; 6.06 A): 2 out of 4 assignments used, quality = 0.96: QD1 LEU 3 + HD2 LYS 53 OK 92 92 100 100 5.6-7.0 2.1/9192=100, ~9193=80...(30) QD1 LEU 55 + HD2 LYS 53 OK 45 100 55 82 7.0-8.3 9188/3.6=35, 9190/3.6=30...(10) QD1 LEU 55 - HB2 ARG 91 far 3 57 5 - 7.4-8.9 HG2 ARG 81 - HB2 ARG 91 far 0 53 0 - 8.5-11.6 Violated in 11 structures by 0.16 A. Peak 9197 from cnoeabs.peaks (0.43, 2.83, 41.80 ppm; 6.50 A): 3 out of 7 assignments used, quality = 0.96: QD1 LEU 3 + HE2 LYS 53 OK 75 75 100 100 3.9-7.6 ~9192=83, ~9193=75...(26) QD1 LEU 3 + HE3 LYS 53 OK 75 75 100 100 4.3-7.4 ~9192=83, ~9193=75...(27) QD1 LEU 55 + HE3 LYS 53 OK 29 100 40 73 6.9-10.1 9188/5.0=31, 9190/5.0=27...(8) QD1 LEU 55 - HE2 LYS 53 far 10 100 10 - 7.6-10.0 HG2 ARG 81 - HE3 LYS 82 far 2 48 5 - 7.9-10.5 QD1 LEU 55 - HE3 LYS 82 far 0 48 0 - 9.4-11.3 HG2 ARG 81 - HE3 LYS 53 far 0 100 0 - 9.9-16.5 Violated in 0 structures by 0.00 A. Peak 9198 from cnoeabs.peaks (0.25, 2.83, 41.80 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 3 + HE3 LYS 53 OK 99 99 100 100 2.4-5.4 9192/3.0=57, 9193/3.0=39...(26) QD2 LEU 3 + HE2 LYS 53 OK 94 99 95 100 1.9-5.6 9192/3.0=57, 8098=40...(25) Violated in 11 structures by 0.16 A. Peak 9199 from cnoeabs.peaks (0.78, 5.04, 55.43 ppm; 4.28 A): 4 out of 10 assignments used, quality = 1.00: QG2 ILE 52 + HA LYS 53 OK 100 100 100 100 3.4-5.4 6870/3.0=45...(26) QG1 VAL 54 + HA LYS 53 OK 91 92 100 99 5.1-5.5 2.1/9200=75, 4.0/6886=67...(15) QG1 VAL 78 + HA LYS 53 OK 55 65 100 85 4.3-5.3 3.2/11102=48...(6) QD2 LEU 2 + HA LYS 53 OK 37 82 65 70 4.1-7.8 6870/3.0=27, ~216=15...(15) QD2 LEU 42 - HA LYS 53 far 5 96 5 - 5.7-8.5 QD1 ILE 76 - HA LYS 53 far 0 93 0 - 6.6-7.8 QD1 LEU 27 - HA LYS 53 far 0 98 0 - 7.5-8.9 QD1 LEU 6 - HA LYS 53 far 0 99 0 - 7.6-11.3 QG2 ILE 93 - HA LYS 53 far 0 75 0 - 9.0-11.1 QD2 LEU 57 - HA LYS 53 far 0 97 0 - 9.1-9.9 Violated in 0 structures by 0.00 A. Peak 9200 from cnoeabs.peaks (0.65, 5.04, 55.43 ppm; 4.17 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 54 + HA LYS 53 OK 99 100 100 100 2.9-3.6 9231=89, 6897/6886=73...(21) QD2 LEU 6 - HA LYS 53 far 0 59 0 - 8.0-9.2 QD2 LEU 29 - HA LYS 53 far 0 100 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 9202 from cnoeabs.peaks (5.13, 1.84, 36.45 ppm; 4.69 A): 3 out of 4 assignments used, quality = 1.00: HA LEU 3 + HB2 LYS 53 OK 99 100 100 99 1.9-2.9 97/8115=70, 9203/1.8=42...(14) HA VAL 54 + HB2 LYS 53 OK 84 84 100 100 4.2-4.8 3.0/6887=86...(29) HA TYR 4 + HB2 LYS 53 OK 44 99 55 81 5.7-6.7 ~9209=38, 8136=34...(9) HA VAL 5 - HB2 LYS 53 far 0 82 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 9203 from cnoeabs.peaks (5.14, 1.69, 36.45 ppm; 4.66 A): 2 out of 4 assignments used, quality = 1.00: HA LEU 3 + HB3 LYS 53 OK 99 99 100 100 2.9-4.5 97/8114=76, 3.7/9187=49...(17) HA VAL 54 + HB3 LYS 53 OK 88 88 100 100 4.1-5.5 ~6887=59, 10651=53...(30) HA TYR 4 - HB3 LYS 53 far 0 100 0 - 6.4-7.4 HA VAL 5 - HB3 LYS 53 far 0 77 0 - 6.8-8.9 Violated in 0 structures by 0.00 A. Peak 9204 from cnoeabs.peaks (6.95, 1.69, 36.45 ppm; 4.59 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 96 + HB3 LYS 53 OK 100 100 100 100 2.1-3.8 9206/1.8=86, 2.2/9205=74...(20) HD21 ASN 51 - HB3 LYS 53 far 0 87 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 9205 from cnoeabs.peaks (7.08, 1.69, 36.45 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.98: HZ PHE 96 + HB3 LYS 53 OK 98 98 100 100 1.9-3.9 2.2/9204=72, 9207/1.8=70...(18) Violated in 0 structures by 0.00 A. Peak 9206 from cnoeabs.peaks (6.95, 1.84, 36.45 ppm; 4.27 A): 1 out of 2 assignments used, quality = 1.00: QE PHE 96 + HB2 LYS 53 OK 100 100 100 100 2.0-3.6 9204/1.8=69, 2.2/9207=61...(20) HD21 ASN 51 - HB2 LYS 53 far 0 87 0 - 8.3-11.7 Violated in 0 structures by 0.00 A. Peak 9207 from cnoeabs.peaks (7.09, 1.84, 36.45 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.87: HZ PHE 96 + HB2 LYS 53 OK 87 87 100 100 2.3-4.0 2.2/9206=84, 9205/1.8=81...(16) Violated in 0 structures by 0.00 A. Peak 9209 from cnoeabs.peaks (8.34, 1.69, 36.45 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.92: H TYR 4 + HB3 LYS 53 OK 92 92 100 100 3.5-4.5 6037/8114=80...(18) Violated in 0 structures by 0.00 A. Peak 9210 from cnoeabs.peaks (6.97, 1.46, 25.00 ppm; 5.09 A): 2 out of 6 assignments used, quality = 1.00: QE PHE 96 + HG2 LYS 53 OK 98 98 100 100 3.7-5.7 9206/3.0=72, 9204/3.0=68...(26) QE PHE 96 + HG3 LYS 53 OK 97 97 100 100 2.9-5.2 9206/3.0=72, 9204/3.0=68...(25) HD21 ASN 10 - HG2 LYS 12 poor 16 82 20 - 6.1-10.9 HD21 ASN 51 - HG2 LYS 53 far 0 100 0 - 7.0-9.4 HD21 ASN 51 - HG3 LYS 53 far 0 99 0 - 8.1-10.6 HE ARG 91 - HG2 LYS 20 far 0 78 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 9211 from cnoeabs.peaks (7.03, 1.46, 25.00 ppm; 5.06 A): 4 out of 5 assignments used, quality = 1.00: QD PHE 96 + HG3 LYS 53 OK 94 100 95 99 4.6-6.7 ~9206=53, ~9204=50...(16) HZ PHE 96 + HG2 LYS 53 OK 67 68 100 99 3.4-5.3 ~9206=53, ~9204=50...(20) HZ PHE 96 + HG3 LYS 53 OK 66 66 100 99 2.1-5.1 ~9206=53, ~9204=50...(20) QD PHE 96 + HG2 LYS 53 OK 54 100 55 99 4.7-7.5 ~9206=53, ~9204=50...(16) HE ARG 91 - HG2 LYS 20 far 0 68 0 - 9.2-14.4 Violated in 0 structures by 0.00 A. Peak 9212 from cnoeabs.peaks (6.96, 1.46, 29.44 ppm; 5.41 A): 2 out of 3 assignments used, quality = 1.00: QE PHE 96 + HD2 LYS 53 OK 100 100 100 100 4.3-4.9 9214/1.8=85, 9206/3.6=76...(21) HE ARG 91 + HB2 ARG 91 OK 36 36 100 100 2.1-5.2 4.6=100 HD21 ASN 51 - HD2 LYS 53 far 0 98 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 9213 from cnoeabs.peaks (7.04, 1.46, 29.44 ppm; 5.43 A): 2 out of 4 assignments used, quality = 0.99: QD PHE 96 + HD2 LYS 53 OK 92 99 95 97 5.9-7.0 ~9214=63, 9215/1.8=43...(14) HZ PHE 96 + HD2 LYS 53 OK 87 88 100 99 3.6-5.2 ~9214=63, 9215/1.8=40...(18) HZ3 TRP 92 - HB2 ARG 91 far 0 44 0 - 8.3-9.8 QD PHE 96 - HB2 ARG 91 far 0 56 0 - 9.6-10.5 Violated in 0 structures by 0.00 A. Peak 9214 from cnoeabs.peaks (6.97, 1.55, 29.44 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.98: QE PHE 96 + HD3 LYS 53 OK 98 98 100 100 3.2-6.0 9204/2451=67...(20) HD21 ASN 51 - HD3 LYS 53 far 5 100 5 - 6.6-11.4 Violated in 4 structures by 0.09 A. Peak 9215 from cnoeabs.peaks (7.04, 1.55, 29.44 ppm; 5.38 A): 2 out of 2 assignments used, quality = 0.97: QD PHE 96 + HD3 LYS 53 OK 84 100 85 99 4.9-7.8 2.2/9214=81, ~9212=44...(16) HZ PHE 96 + HD3 LYS 53 OK 79 79 100 100 2.8-5.5 2.2/9214=81, ~9212=44...(19) Violated in 0 structures by 0.00 A. Peak 9216 from cnoeabs.peaks (6.99, 2.83, 41.80 ppm; 4.69 A): 2 out of 5 assignments used, quality = 0.67: QE PHE 96 + HE3 LYS 53 OK 44 82 55 98 4.0-6.6 9214/3.0=52, 9212/3.0=32...(20) QE PHE 96 + HE2 LYS 53 OK 40 82 50 98 3.3-6.7 9214/3.0=52, 9212/3.0=32...(19) HE ARG 91 - HE2 LYS 90 poor 16 81 55 35 2.9-8.8 ~4065=15, ~4042=11...(5) HD21 ASN 51 - HE3 LYS 53 far 0 99 0 - 6.7-11.5 HD21 ASN 51 - HE2 LYS 53 far 0 100 0 - 7.4-10.5 Violated in 14 structures by 0.54 A. Peak 9217 from cnoeabs.peaks (7.07, 2.83, 41.80 ppm; 5.15 A): 3 out of 5 assignments used, quality = 0.99: HZ PHE 96 + HE2 LYS 53 OK 94 100 95 99 4.7-6.9 9205/5.0=53, ~9214=46...(17) HZ PHE 96 + HE3 LYS 53 OK 88 100 90 99 4.1-6.7 9205/5.0=53, ~9214=46...(17) QD PHE 96 + HE3 LYS 53 OK 27 63 45 94 5.3-8.2 ~9214=46, 2.2/9216=38...(14) QD PHE 96 - HE2 LYS 53 poor 19 63 30 - 5.1-8.5 HZ3 TRP 92 - HE3 LYS 82 far 2 48 5 - 6.2-8.0 Violated in 11 structures by 0.18 A. Peak 9220 from cnoeabs.peaks (6.96, 5.16, 60.16 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.99: QE PHE 96 + HA VAL 54 OK 99 100 100 100 2.8-4.0 9291/6902=66...(19) Violated in 0 structures by 0.00 A. Peak 9221 from cnoeabs.peaks (7.06, 5.16, 60.16 ppm; 4.57 A): 2 out of 2 assignments used, quality = 1.00: HZ PHE 96 + HA VAL 54 OK 99 100 100 99 2.6-4.1 2.2/9220=72, 9219/3.0=57...(12) QD PHE 96 + HA VAL 54 OK 70 75 100 93 4.9-5.7 2.2/9220=72, ~9218=36...(14) Violated in 0 structures by 0.00 A. Peak 9222 from cnoeabs.peaks (6.67, 0.65, 22.12 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.97: QD PHE 45 + QG2 VAL 54 OK 97 99 100 99 1.8-2.4 2.2/9223=61, ~9226=34...(18) Violated in 0 structures by 0.00 A. Peak 9223 from cnoeabs.peaks (6.51, 0.65, 22.12 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 45 + QG2 VAL 54 OK 100 100 100 100 2.4-4.0 2.2/9222=79, 9226/2.1=56...(18) Violated in 0 structures by 0.00 A. Peak 9224 from cnoeabs.peaks (6.45, 0.65, 22.12 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 4 + QG2 VAL 54 OK 99 99 100 100 1.8-3.3 2.5/9239=66, 2.5/9238=57...(34) QE TYR 4 + QG2 VAL 54 OK 97 100 100 97 3.5-4.7 4.4/9239=41, 4.4/9238=37...(22) Violated in 0 structures by 0.00 A. Peak 9226 from cnoeabs.peaks (6.49, 0.76, 21.39 ppm; 4.04 A): 2 out of 2 assignments used, quality = 0.95: QE PHE 45 + QG1 VAL 54 OK 94 95 100 99 1.8-2.7 9223/2.1=58, 2.2/9229=48...(22) QE PHE 45 + QG1 VAL 78 OK 23 75 75 42 4.5-6.2 9223/2497=15, 14686=8...(8) Violated in 0 structures by 0.00 A. Peak 9227 from cnoeabs.peaks (8.36, 0.65, 22.12 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: H TYR 4 + QG2 VAL 54 OK 100 100 100 100 3.3-3.8 10203/3.2=67...(19) Violated in 0 structures by 0.00 A. Peak 9228 from cnoeabs.peaks (6.14, 0.65, 22.12 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 45 + QG2 VAL 54 OK 100 100 100 100 4.1-5.7 2.2/9223=94, 9229/2.1=83...(15) Violated in 4 structures by 0.04 A. Peak 9229 from cnoeabs.peaks (6.15, 0.76, 21.39 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.99: HZ PHE 45 + QG1 VAL 54 OK 99 99 100 100 3.6-4.7 2.2/9226=75, 9228/2.1=70...(19) HZ PHE 45 - QG1 VAL 78 far 4 81 5 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 9230 from cnoeabs.peaks (5.06, 0.76, 21.39 ppm; 4.57 A): 2 out of 2 assignments used, quality = 0.99: HA LYS 53 + QG1 VAL 54 OK 96 96 100 100 5.1-5.5 9200/2.1=79, 6886/4.0=71...(16) HA LYS 53 + QG1 VAL 78 OK 69 76 100 90 4.3-5.3 11102/3.2=62...(8) Violated in 5 structures by 0.02 A. Peak 9231 from cnoeabs.peaks (5.04, 0.65, 22.12 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 53 + QG2 VAL 54 OK 100 100 100 100 2.9-3.6 9200=99, 6886/6897=77...(21) Violated in 0 structures by 0.00 A. Peak 9232 from cnoeabs.peaks (5.05, 1.89, 35.51 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 53 + HB VAL 54 OK 100 100 100 100 4.6-5.1 6886/6896=99...(17) Violated in 0 structures by 0.00 A. Peak 9233 from cnoeabs.peaks (0.90, 1.89, 35.51 ppm; 4.67 A): 1 out of 5 assignments used, quality = 0.97: QG2 ILE 76 + HB VAL 54 OK 97 98 100 100 3.2-4.7 11070/2.1=88...(21) QD1 LEU 38 - HB VAL 54 far 3 65 5 - 5.9-8.6 QD1 LEU 103 - HB VAL 54 far 0 73 0 - 7.5-14.7 QD1 LEU 2 - HB VAL 54 far 0 97 0 - 7.9-9.6 QG1 VAL 32 - HB VAL 54 far 0 99 0 - 8.6-10.6 Violated in 1 structures by 0.00 A. Peak 9234 from cnoeabs.peaks (1.42, 1.89, 35.51 ppm; 5.59 A): 3 out of 9 assignments used, quality = 0.99: QB ALA 71 + HB VAL 54 OK 98 99 100 99 4.4-5.7 9688/10348=75...(9) HG13 ILE 52 + HB VAL 54 OK 46 63 75 97 5.3-8.8 ~9240=80, ~2364=26...(15) HD2 LYS 53 + HB VAL 54 OK 41 59 90 76 6.1-7.3 5.3/9232=49, ~10208=18...(7) HG13 ILE 76 - HB VAL 54 poor 19 96 20 - 6.7-8.1 HB2 LEU 38 - HB VAL 54 far 0 68 0 - 7.8-12.0 HG LEU 38 - HB VAL 54 far 0 59 0 - 8.0-11.8 QB ALA 22 - HB VAL 54 far 0 96 0 - 8.9-9.8 HG LEU 29 - HB VAL 54 far 0 96 0 - 9.3-12.2 HB2 LEU 27 - HB VAL 54 far 0 63 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 9235 from cnoeabs.peaks (4.54, 0.65, 22.12 ppm; 5.43 A): 2 out of 3 assignments used, quality = 0.98: HA PHE 45 + QG2 VAL 54 OK 95 96 100 100 4.3-5.7 3.7/9222=83...(14) HA ASP 77 + QG2 VAL 54 OK 55 71 100 77 4.8-6.0 9676/11070=48...(10) HA PHE 96 - QG2 VAL 54 far 0 87 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 9236 from cnoeabs.peaks (3.70, 0.65, 22.12 ppm; 5.57 A): 1 out of 4 assignments used, quality = 0.99: HA LEU 42 + QG2 VAL 54 OK 99 100 100 100 3.0-4.4 8928/9222=81...(18) HA3 GLY 100 - QG2 VAL 54 far 0 94 0 - 7.9-10.9 HB THR 80 - QG2 VAL 54 far 0 94 0 - 9.0-10.5 HA GLU 37 - QG2 VAL 54 far 0 99 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 9237 from cnoeabs.peaks (2.99, 0.65, 22.12 ppm; 4.69 A): 2 out of 4 assignments used, quality = 1.00: HB2 PHE 45 + QG2 VAL 54 OK 100 100 100 100 2.4-3.9 2.5/9222=85, 4.4/9223=54...(20) HB3 PHE 45 + QG2 VAL 54 OK 92 92 100 100 2.5-3.7 2.5/9222=85, 4.4/9223=54...(20) HE2 LYS 47 - QG2 VAL 54 far 0 98 0 - 9.0-11.4 HE3 LYS 47 - QG2 VAL 54 far 0 98 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 9238 from cnoeabs.peaks (2.44, 0.65, 22.12 ppm; 4.30 A): 1 out of 6 assignments used, quality = 0.98: HB3 TYR 4 + QG2 VAL 54 OK 98 98 100 100 3.0-4.0 1.8/9239=87, 9245/2.1=55...(28) HG3 GLU 48 - QG2 VAL 54 far 10 96 10 - 5.7-7.8 HG3 MET 1 - QG2 VAL 54 far 0 82 0 - 6.8-8.7 HG2 GLN 72 - QG2 VAL 54 far 0 91 0 - 8.2-11.5 HG3 GLU 99 - QG2 VAL 54 far 0 100 0 - 9.4-14.3 HG3 GLN 50 - QG2 VAL 54 far 0 97 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 9239 from cnoeabs.peaks (2.29, 0.65, 22.12 ppm; 3.87 A): 1 out of 6 assignments used, quality = 1.00: HB2 TYR 4 + QG2 VAL 54 OK 100 100 100 100 1.9-2.6 1.8/9238=63...(30) HB2 TYR 41 - QG2 VAL 54 far 0 92 0 - 5.7-7.7 HG2 GLU 48 - QG2 VAL 54 far 0 59 0 - 5.7-8.3 HB2 GLU 48 - QG2 VAL 54 far 0 100 0 - 6.5-8.9 HG3 GLU 43 - QG2 VAL 54 far 0 81 0 - 7.2-8.7 HD3 ARG 81 - QG2 VAL 54 far 0 97 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 9240 from cnoeabs.peaks (1.05, 0.65, 22.12 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.85: HG12 ILE 52 + QG2 VAL 54 OK 85 100 100 85 2.6-4.5 1.8/10208=25...(18) HB3 LEU 55 - QG2 VAL 54 far 0 94 0 - 5.9-6.4 HB3 ARG 81 - QG2 VAL 54 far 0 98 0 - 9.0-10.8 Violated in 3 structures by 0.02 A. Peak 9244 from cnoeabs.peaks (4.54, 0.76, 21.39 ppm; 5.15 A): 2 out of 5 assignments used, quality = 0.87: HA PHE 45 + QG1 VAL 54 OK 65 90 75 97 5.7-7.1 9235/2.1=45, 5.6/9226=41...(12) HA ASP 77 + QG1 VAL 78 OK 62 62 100 100 3.6-3.9 9682/2.1=79, 7274/4.0=74...(13) HA PHE 45 - QG1 VAL 78 poor 14 69 20 - 6.2-8.3 HA ASP 77 - QG1 VAL 54 far 4 82 5 - 6.6-7.8 HA PHE 96 - QG1 VAL 54 far 0 77 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 9245 from cnoeabs.peaks (2.46, 0.76, 21.39 ppm; 4.73 A): 1 out of 8 assignments used, quality = 1.00: HB3 TYR 4 + QG1 VAL 54 OK 100 100 100 100 2.3-3.2 9238/2.1=73, ~9239=68...(29) HG2 GLN 72 - QG1 VAL 78 poor 17 43 40 - 5.0-8.0 HB3 TYR 4 - QG1 VAL 78 far 0 83 0 - 6.4-7.2 HG3 GLU 48 - QG1 VAL 54 far 0 70 0 - 7.1-9.6 HG3 GLU 48 - QG1 VAL 78 far 0 51 0 - 7.4-10.0 HG2 GLN 72 - QG1 VAL 54 far 0 59 0 - 8.7-12.0 HG3 GLN 50 - QG1 VAL 78 far 0 54 0 - 9.6-13.0 HG3 GLU 99 - QG1 VAL 54 far 0 85 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 9246 from cnoeabs.peaks (2.28, 0.76, 21.39 ppm; 4.32 A): 3 out of 10 assignments used, quality = 0.98: HB2 TYR 4 + QG1 VAL 54 OK 96 96 100 100 1.8-2.9 9239/2.1=72, 1.8/9245=67...(29) HB2 TYR 4 + QG1 VAL 78 OK 28 76 90 41 5.4-6.0 9239/2497=19...(5) HB2 TYR 41 + QG1 VAL 54 OK 24 61 80 49 4.3-6.2 8890/9229=17...(9) HB2 TYR 41 - QG1 VAL 78 far 0 44 0 - 6.4-7.5 HB2 GLU 48 - QG1 VAL 54 far 0 90 0 - 7.9-10.7 HB2 GLU 48 - QG1 VAL 78 far 0 69 0 - 8.4-10.7 HD3 ARG 81 - QG1 VAL 78 far 0 54 0 - 8.8-11.5 HD3 ARG 81 - QG1 VAL 54 far 0 73 0 - 8.9-11.5 HG2 GLU 23 - QG1 VAL 54 far 0 100 0 - 9.6-12.8 HG2 GLU 37 - QG1 VAL 54 far 0 94 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 9247 from cnoeabs.peaks (0.72, -0.63, 42.07 ppm; 4.84 A): 6 out of 17 assignments used, quality = 1.00: QG1 VAL 5 + HB2 LEU 55 OK 100 100 100 100 2.1-4.8 2.1/8198=87, 8195/3.1=85...(27) QD1 ILE 56 + HB2 LEU 55 OK 92 95 100 97 4.4-6.1 2593/4.5=41, ~9317=34...(17) HG13 ILE 93 + HB2 LEU 55 OK 83 93 90 100 4.1-6.5 10019/3.1=58, ~10021=49...(21) QG2 ILE 93 + HB2 LEU 55 OK 75 84 90 100 4.0-6.5 10322/8198=50...(21) QG1 VAL 54 + HB2 LEU 55 OK 56 63 100 89 4.2-5.5 4.1/6907=67...(11) QD2 LEU 27 + HB2 LEU 55 OK 38 100 50 77 5.5-7.0 8646/9290=39...(11) HG13 ILE 56 - HB2 LEU 55 poor 20 99 20 - 5.2-7.6 HG3 ARG 81 - HB2 LEU 55 poor 19 96 20 - 5.4-8.5 QD2 LEU 6 - HB2 LEU 55 poor 12 61 65 31 5.2-7.4 ~12199=8, ~12198=8...(6) QG2 VAL 78 - HB2 LEU 55 far 10 100 10 - 6.1-7.4 QG1 VAL 78 - HB2 LEU 55 far 0 91 0 - 6.9-7.9 QD1 LEU 64 - HB2 LEU 55 far 0 95 0 - 7.9-9.5 QD1 ILE 8 - HB2 LEU 55 far 0 96 0 - 8.0-9.9 QD1 ILE 52 - HB2 LEU 55 far 0 77 0 - 8.1-10.2 QG1 VAL 58 - HB2 LEU 55 far 0 100 0 - 8.2-9.0 QD1 LEU 42 - HB2 LEU 55 far 0 65 0 - 8.8-10.8 QD2 LEU 14 - HB2 LEU 55 far 0 96 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 9248 from cnoeabs.peaks (0.71, 1.03, 42.07 ppm; 4.59 A): 4 out of 18 assignments used, quality = 1.00: QG1 VAL 5 + HB3 LEU 55 OK 97 97 100 100 2.3-4.5 8195/3.1=77, 3.2/8189=69...(24) QD1 ILE 56 + HB3 LEU 55 OK 91 100 95 96 4.4-6.8 2593/4.5=40, ~9317=31...(18) QG2 ILE 93 + HB3 LEU 55 OK 45 61 75 99 4.4-6.4 ~9262=34, ~10021=34...(20) HG13 ILE 93 + HB3 LEU 55 OK 41 75 55 98 4.4-6.5 ~10021=44, ~9266=44...(17) HG3 ARG 81 - HB3 LEU 55 poor 20 82 25 96 5.5-8.0 3614/3.1=31, ~9253=29...(20) QD2 LEU 27 - HB3 LEU 55 poor 19 95 30 67 5.4-6.9 8646/9286=35...(8) HG13 ILE 56 - HB3 LEU 55 far 15 100 15 - 5.2-7.8 QD2 LEU 6 - HB3 LEU 55 poor 13 84 25 61 5.4-7.3 4.6/10371=42...(8) QG2 VAL 78 - HB3 LEU 55 far 0 99 0 - 6.3-7.8 QG1 VAL 78 - HB3 LEU 55 far 0 71 0 - 6.7-7.7 QD1 ILE 8 - HB3 LEU 55 far 0 100 0 - 7.3-9.9 QD1 ILE 52 - HB3 LEU 55 far 0 94 0 - 8.1-10.2 QD1 LEU 64 - HB3 LEU 55 far 0 79 0 - 8.3-9.5 QG1 VAL 58 - HB3 LEU 55 far 0 99 0 - 8.4-9.2 QD1 LEU 42 - HB3 LEU 55 far 0 87 0 - 8.9-10.7 QD2 LEU 14 - HB3 LEU 55 far 0 100 0 - 9.1-11.0 QD1 LEU 14 - HB3 LEU 55 far 0 68 0 - 9.3-10.8 QG2 VAL 58 - HB3 LEU 55 far 0 63 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 9249 from cnoeabs.peaks (5.10, 1.03, 42.07 ppm; 4.85 A): 1 out of 3 assignments used, quality = 1.00: HA VAL 5 + HB3 LEU 55 OK 100 100 100 100 2.0-4.6 8189=100, 9295/6908=81...(32) HA LEU 3 - HB3 LEU 55 far 4 84 5 - 6.3-7.6 HA ILE 7 - HB3 LEU 55 far 0 79 0 - 7.3-9.4 Violated in 0 structures by 0.00 A. Peak 9250 from cnoeabs.peaks (5.11, -0.63, 42.07 ppm; 5.31 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 5 + HB2 LEU 55 OK 100 100 100 100 2.0-4.6 8189/1.8=99...(28) HA TYR 4 + HB2 LEU 55 OK 31 68 80 57 5.4-7.7 8140/8198=39, ~9278=9...(8) HA LEU 3 - HB2 LEU 55 poor 11 92 25 49 6.5-7.8 8061/9290=32...(5) HA ILE 7 - HB2 LEU 55 far 0 88 0 - 7.1-9.3 Violated in 0 structures by 0.00 A. Peak 9251 from cnoeabs.peaks (1.53, 0.44, 22.30 ppm; 3.46 A): 4 out of 9 assignments used, quality = 1.00: HG2 ARG 79 + QD1 LEU 55 OK 93 100 100 93 1.9-4.6 3.0/9252=49, 9695=30...(20) HG3 ARG 79 + QD1 LEU 55 OK 93 100 100 93 2.5-4.2 3.0/9252=49, 9695=30...(20) HG LEU 57 + QD1 LEU 55 OK 66 75 90 97 3.9-5.1 2.1/10211=40, ~10212=38...(24) HG12 ILE 56 + QD1 LEU 55 OK 36 100 40 91 4.3-6.7 2577/2544=32...(21) HB3 LEU 103 - QD1 LEU 55 lone 2 99 30 7 3.7-9.3 3.1/9272=3 HD3 LYS 53 - QD1 LEU 55 far 0 92 0 - 6.1-8.9 HG LEU 6 - QD1 LEU 55 far 0 100 0 - 6.2-8.6 HB2 LEU 3 - QD1 LEU 55 far 0 91 0 - 6.8-9.1 HB ILE 7 - QD1 LEU 55 far 0 99 0 - 7.7-9.2 Violated in 2 structures by 0.01 A. Peak 9252 from cnoeabs.peaks (1.66, 0.44, 22.30 ppm; 3.72 A): 1 out of 10 assignments used, quality = 0.93: HB3 ARG 79 + QD1 LEU 55 OK 93 100 100 93 2.6-4.8 1.8/9693=36...(14) HB3 LYS 53 - QD1 LEU 55 far 0 84 0 - 5.7-8.3 HB3 LEU 6 - QD1 LEU 55 far 0 99 0 - 5.8-7.0 HD3 LYS 68 - QD1 LEU 55 far 0 99 0 - 7.3-10.0 HG2 LYS 68 - QD1 LEU 55 far 0 95 0 - 7.5-11.3 HB3 ARG 91 - QD1 LEU 55 far 0 88 0 - 8.1-9.2 HD2 LYS 94 - QD1 LEU 55 far 0 68 0 - 8.4-10.0 HD2 LYS 68 - QD1 LEU 55 far 0 100 0 - 8.7-11.4 HD3 LYS 90 - QD1 LEU 55 far 0 63 0 - 9.4-11.2 HB ILE 76 - QD1 LEU 55 far 0 96 0 - 9.6-10.7 Violated in 12 structures by 0.17 A. Peak 9253 from cnoeabs.peaks (2.31, 0.44, 22.30 ppm; 5.42 A): 1 out of 3 assignments used, quality = 1.00: HD3 ARG 81 + QD1 LEU 55 OK 100 100 100 100 3.2-5.8 3.0/3614=46, 6.2/9280=46...(23) HG2 GLU 95 - QD1 LEU 55 poor 13 65 20 - 5.1-8.4 HB2 TYR 4 - QD1 LEU 55 far 0 96 0 - 7.3-8.1 Violated in 3 structures by 0.03 A. Peak 9254 from cnoeabs.peaks (3.08, 0.44, 22.30 ppm; 3.69 A): 4 out of 6 assignments used, quality = 1.00: HB2 TRP 92 + QD1 LEU 55 OK 91 94 100 97 2.5-4.6 1.8/9255=53, 9987/2.1=40...(20) HB2 PHE 96 + QD1 LEU 55 OK 90 96 95 99 3.2-5.2 1.8/9256=49, ~9263=42...(27) HD3 ARG 79 + QD1 LEU 55 OK 41 99 45 92 1.9-5.9 3.8/9252=46, 3.8/9693=24...(21) HD2 ARG 79 + QD1 LEU 55 OK 37 99 40 93 2.1-5.7 3.8/9252=46, 3.8/9693=24...(23) HB3 HIS 105 - QD1 LEU 55 far 0 94 0 - 6.2-14.0 HB3 HIS 106 - QD1 LEU 55 far 0 79 0 - 6.4-14.4 Violated in 0 structures by 0.00 A. Peak 9255 from cnoeabs.peaks (3.20, 0.44, 22.30 ppm; 4.46 A): 1 out of 3 assignments used, quality = 1.00: HB3 TRP 92 + QD1 LEU 55 OK 100 100 100 100 3.2-4.2 9992/2.1=72, ~9987=50...(20) HB2 HIS 106 - QD1 LEU 55 far 0 98 0 - 6.9-14.6 HB2 ASP 77 - QD1 LEU 55 far 0 98 0 - 8.3-10.6 Violated in 0 structures by 0.00 A. Peak 9256 from cnoeabs.peaks (3.49, 0.44, 22.30 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.88: HB3 PHE 96 + QD1 LEU 55 OK 88 88 100 100 2.0-4.4 10050/2.1=72...(27) Violated in 0 structures by 0.00 A. Peak 9257 from cnoeabs.peaks (4.36, 0.44, 22.30 ppm; 5.51 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 81 + QD1 LEU 55 OK 100 100 100 100 4.2-5.9 3.0/9280=85...(21) HA SER 102 + QD1 LEU 55 OK 40 91 50 89 4.3-11.0 3.0/10109=68...(3) Violated in 0 structures by 0.00 A. Peak 9258 from cnoeabs.peaks (5.32, 0.44, 22.30 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.97: HA THR 80 + QD1 LEU 55 OK 97 98 100 100 3.6-5.2 9299/2544=70...(18) Violated in 5 structures by 0.06 A. Peak 9259 from cnoeabs.peaks (5.15, 0.44, 22.30 ppm; 5.64 A): 2 out of 4 assignments used, quality = 0.99: HA VAL 54 + QD1 LEU 55 OK 97 99 100 98 5.6-6.1 6902/2537=85...(15) HA ILE 7 + QD1 LEU 55 OK 53 93 70 81 6.7-8.0 9332/9349=62...(8) HA TYR 4 - QD1 LEU 55 far 0 100 0 - 7.5-8.3 HA LEU 3 - QD1 LEU 55 far 0 90 0 - 7.5-8.7 Violated in 7 structures by 0.02 A. Peak 9260 from cnoeabs.peaks (4.50, 0.51, 26.14 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.98: HA PHE 96 + QD2 LEU 55 OK 98 98 100 100 4.3-5.5 3.0/9263=88...(15) Violated in 2 structures by 0.01 A. Peak 9261 from cnoeabs.peaks (5.10, 0.51, 26.14 ppm; 5.11 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 5 + QD2 LEU 55 OK 100 100 100 100 2.9-4.4 3.2/8195=84, 8189/3.1=82...(24) HA ILE 7 + QD2 LEU 55 OK 58 79 100 74 5.3-6.5 174/8195=27...(7) HA LEU 3 - QD2 LEU 55 far 0 84 0 - 7.0-8.2 HA SER 59 - QD2 LEU 55 far 0 59 0 - 9.8-10.3 Violated in 0 structures by 0.00 A. Peak 9262 from cnoeabs.peaks (3.53, 0.51, 26.14 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.99: HA ILE 93 + QD2 LEU 55 OK 99 99 100 100 1.9-2.9 10009=70, 3.0/10005=38...(23) Violated in 0 structures by 0.00 A. Peak 9263 from cnoeabs.peaks (3.46, 0.51, 26.14 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.97: HB3 PHE 96 + QD2 LEU 55 OK 97 98 100 100 2.0-3.5 10050=82, 7558/10044=49...(24) Violated in 0 structures by 0.00 A. Peak 9264 from cnoeabs.peaks (3.18, 0.51, 26.14 ppm; 4.32 A): 1 out of 4 assignments used, quality = 0.95: HB3 TRP 92 + QD2 LEU 55 OK 95 95 100 100 2.7-3.8 9992=78, 1.8/9987=62...(18) HB2 HIS 106 - QD2 LEU 55 far 0 100 0 - 8.7-17.0 HB2 ASP 77 - QD2 LEU 55 far 0 77 0 - 9.7-11.7 HD2 ARG 19 - QD2 LEU 55 far 0 100 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 9265 from cnoeabs.peaks (3.08, 0.51, 26.14 ppm; 3.93 A): 4 out of 7 assignments used, quality = 1.00: HB2 PHE 96 + QD2 LEU 55 OK 93 93 100 100 2.6-3.4 1.8/9263=74...(29) HB2 TRP 92 + QD2 LEU 55 OK 90 91 100 99 2.5-3.8 1.8/9264=65, 9987=46...(22) HD3 ARG 79 + QD2 LEU 55 OK 25 100 35 73 4.3-8.5 9696/2.1=20...(15) HD2 ARG 79 + QD2 LEU 55 OK 23 99 30 77 3.9-8.2 12330/4.0=25...(15) HB3 HIS 105 - QD2 LEU 55 far 0 96 0 - 7.2-16.5 HB3 HIS 106 - QD2 LEU 55 far 0 84 0 - 7.8-16.4 HB3 ASN 26 - QD2 LEU 55 far 0 98 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 9266 from cnoeabs.peaks (2.02, 0.51, 26.14 ppm; 4.55 A): 1 out of 8 assignments used, quality = 0.96: HG12 ILE 93 + QD2 LEU 55 OK 96 96 100 100 1.9-3.2 2.1/10021=79...(21) HB2 MET 21 - QD2 LEU 55 far 12 79 15 - 5.9-7.3 HB3 LYS 94 - QD2 LEU 55 far 0 100 0 - 6.4-8.0 HB2 GLU 99 - QD2 LEU 55 far 0 90 0 - 6.7-9.4 HB3 GLU 99 - QD2 LEU 55 far 0 96 0 - 7.0-9.9 HB2 GLU 98 - QD2 LEU 55 far 0 88 0 - 8.3-9.5 HB3 GLU 17 - QD2 LEU 55 far 0 96 0 - 8.4-10.6 HB3 GLU 98 - QD2 LEU 55 far 0 90 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 9267 from cnoeabs.peaks (1.82, 0.51, 26.14 ppm; 5.21 A): 2 out of 8 assignments used, quality = 1.00: HB3 LEU 57 + QD2 LEU 55 OK 100 100 100 100 3.6-4.8 3.1/10212=94...(23) HB ILE 93 + QD2 LEU 55 OK 94 94 100 100 3.8-4.7 3.0/9262=91, 3.0/9266=79...(17) HB2 GLU 104 - QD2 LEU 55 far 5 98 5 - 5.9-12.7 HB2 GLU 88 - QD2 LEU 55 far 5 98 5 - 6.6-9.0 HB2 LYS 53 - QD2 LEU 55 far 5 92 5 - 6.6-7.9 HB3 LYS 90 - QD2 LEU 55 far 0 98 0 - 6.8-8.0 HB2 LYS 90 - QD2 LEU 55 far 0 99 0 - 7.0-8.2 HB2 LYS 68 - QD2 LEU 55 far 0 95 0 - 9.4-12.5 Violated in 0 structures by 0.00 A. Peak 9268 from cnoeabs.peaks (1.50, 0.51, 26.14 ppm; 4.43 A): 1 out of 15 assignments used, quality = 1.00: HG LEU 57 + QD2 LEU 55 OK 100 100 100 100 2.5-3.6 2.1/10212=94...(25) HG3 ARG 79 - QD2 LEU 55 poor 14 71 20 - 4.5-6.8 HG12 ILE 56 - QD2 LEU 55 far 12 79 15 - 5.5-7.2 HG2 ARG 79 - QD2 LEU 55 far 11 73 15 - 4.2-6.9 HB ILE 7 - QD2 LEU 55 far 9 92 10 - 5.4-7.2 HB3 LEU 103 - QD2 LEU 55 far 9 91 10 - 3.5-11.0 HG LEU 6 - QD2 LEU 55 poor 7 88 25 34 5.5-8.4 10659/6911=13...(7) HB2 ARG 91 - QD2 LEU 55 far 0 96 0 - 6.6-8.0 HG3 LYS 53 - QD2 LEU 55 far 0 70 0 - 6.8-9.4 HG2 LYS 53 - QD2 LEU 55 far 0 59 0 - 7.3-9.9 HG3 ARG 30 - QD2 LEU 55 far 0 81 0 - 8.3-10.2 HB3 LEU 64 - QD2 LEU 55 far 0 98 0 - 8.5-10.0 HB2 LEU 14 - QD2 LEU 55 far 0 92 0 - 9.2-10.2 HG LEU 64 - QD2 LEU 55 far 0 90 0 - 9.8-11.0 HG3 LYS 24 - QD2 LEU 55 far 0 100 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 9269 from cnoeabs.peaks (0.80, 0.51, 26.14 ppm; 3.20 A): 4 out of 15 assignments used, quality = 1.00: QD2 LEU 57 + QD2 LEU 55 OK 98 100 100 99 1.8-1.9 2.1/10212=62, 10217=43...(30) QD1 LEU 57 + QD2 LEU 55 OK 84 85 100 99 2.1-3.5 10212=73, 2.1/10217=40...(23) QD1 ILE 93 + QD2 LEU 55 OK 67 71 100 93 2.9-4.0 2.1/9266=34, 4.2/9262=30...(20) QD1 LEU 27 + QD2 LEU 55 OK 29 70 95 44 3.9-4.7 8645/9284=11...(12) QD2 LEU 103 - QD2 LEU 55 lone 3 87 40 9 3.2-10.8 9272/2.1=3, 4505/10044=2 QD1 LEU 6 - QD2 LEU 55 far 0 73 0 - 5.4-7.9 QG2 ILE 7 - QD2 LEU 55 far 0 100 0 - 6.2-7.5 QG2 VAL 32 - QD2 LEU 55 far 0 79 0 - 7.0-8.3 QD2 LEU 42 - QD2 LEU 55 far 0 65 0 - 7.1-8.7 QD2 LEU 38 - QD2 LEU 55 far 0 92 0 - 7.7-10.1 QG2 ILE 15 - QD2 LEU 55 far 0 100 0 - 7.8-8.7 QD2 LEU 2 - QD2 LEU 55 far 0 100 0 - 7.9-11.1 QG2 ILE 8 - QD2 LEU 55 far 0 96 0 - 8.6-9.5 QG2 ILE 52 - QD2 LEU 55 far 0 87 0 - 9.0-10.8 QD1 ILE 76 - QD2 LEU 55 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9270 from cnoeabs.peaks (0.72, 0.51, 26.14 ppm; 3.24 A): 4 out of 19 assignments used, quality = 1.00: QG1 VAL 5 + QD2 LEU 55 OK 99 100 100 99 1.7-2.3 8195=72, 2.1/2549=32...(34) HG13 ILE 93 + QD2 LEU 55 OK 89 93 100 96 2.0-3.2 2.1/10021=42...(26) QG2 ILE 93 + QD2 LEU 55 OK 80 84 100 96 3.1-4.0 3.2/9262=41...(24) HG3 ARG 81 + QD2 LEU 55 OK 33 96 40 85 3.8-6.1 3614/2.1=31, 2.9/2548=17...(17) QD1 ILE 56 - QD2 LEU 55 far 0 95 0 - 4.8-6.2 QD2 LEU 27 - QD2 LEU 55 far 0 100 0 - 5.1-6.3 QG1 VAL 54 - QD2 LEU 55 far 0 63 0 - 5.2-6.1 HG13 ILE 56 - QD2 LEU 55 far 0 99 0 - 5.5-7.6 QD2 LEU 6 - QD2 LEU 55 far 0 61 0 - 5.6-6.4 QD1 ILE 8 - QD2 LEU 55 far 0 96 0 - 5.9-8.3 QD2 LEU 14 - QD2 LEU 55 far 0 96 0 - 6.2-7.4 QG1 VAL 58 - QD2 LEU 55 far 0 100 0 - 6.6-7.2 QG2 VAL 78 - QD2 LEU 55 far 0 100 0 - 6.8-7.6 QD1 LEU 64 - QD2 LEU 55 far 0 95 0 - 6.9-7.7 QG1 VAL 78 - QD2 LEU 55 far 0 91 0 - 7.4-8.2 QD1 ILE 52 - QD2 LEU 55 far 0 77 0 - 8.5-10.3 QD1 ILE 15 - QD2 LEU 55 far 0 68 0 - 8.7-9.7 QD1 LEU 42 - QD2 LEU 55 far 0 65 0 - 8.8-10.3 HG13 ILE 15 - QD2 LEU 55 far 0 77 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 9271 from cnoeabs.peaks (0.74, 0.44, 22.30 ppm; 3.55 A): 4 out of 18 assignments used, quality = 1.00: QG1 VAL 5 + QD1 LEU 55 OK 98 99 100 100 3.7-4.4 8195/2.1=67, 2.1/8197=47...(31) HG3 ARG 81 + QD1 LEU 55 OK 97 100 100 97 2.0-4.1 3614=46, 3.0/9253=27...(24) HG13 ILE 93 + QD1 LEU 55 OK 62 100 65 96 4.3-5.9 10019/2.1=37, ~10021=34...(25) QD1 ILE 56 + QD1 LEU 55 OK 62 79 95 82 3.3-5.9 5.0/2544=30, ~10679=13...(20) QG2 ILE 93 - QD1 LEU 55 far 15 97 15 - 4.7-6.0 HG13 ILE 56 - QD1 LEU 55 far 0 90 0 - 5.1-7.0 QD1 LEU 64 - QD1 LEU 55 far 0 100 0 - 5.1-6.4 QD1 ILE 93 - QD1 LEU 55 far 0 71 0 - 5.1-6.1 QG2 VAL 78 - QD1 LEU 55 far 0 96 0 - 5.2-6.1 QG1 VAL 54 - QD1 LEU 55 far 0 85 0 - 5.2-6.0 QD1 LEU 27 - QD1 LEU 55 far 0 73 0 - 5.3-6.4 QG1 VAL 58 - QD1 LEU 55 far 0 96 0 - 6.0-7.1 QD2 LEU 42 - QD1 LEU 55 far 0 77 0 - 6.3-8.5 QD1 LEU 6 - QD1 LEU 55 far 0 70 0 - 6.3-8.4 QD2 LEU 27 - QD1 LEU 55 far 0 100 0 - 6.3-7.3 QG1 VAL 78 - QD1 LEU 55 far 0 99 0 - 6.4-7.3 QD1 ILE 8 - QD1 LEU 55 far 0 82 0 - 6.5-8.2 QD2 LEU 14 - QD1 LEU 55 far 0 81 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 9272 from cnoeabs.peaks (0.83, 0.44, 22.30 ppm; 3.20 A): 2 out of 14 assignments used, quality = 1.00: QD1 LEU 57 + QD1 LEU 55 OK 100 100 100 100 1.9-3.6 10212/2.1=62, 10211=54...(30) QD2 LEU 57 + QD1 LEU 55 OK 73 75 100 98 1.9-3.4 2.1/10211=35, ~10212=33...(30) QD2 LEU 103 - QD1 LEU 55 lone 10 100 55 18 1.9-10.1 4501/9695=3, 4501/9695=2...(9) QD1 LEU 103 - QD1 LEU 55 lone 3 61 55 8 1.8-9.6 9746/9253=2, 4509/9695=1 QD2 LEU 64 - QD1 LEU 55 far 0 65 0 - 7.1-8.3 QD2 LEU 38 - QD1 LEU 55 far 0 100 0 - 7.3-10.2 QD1 LEU 38 - QD1 LEU 55 far 0 70 0 - 7.5-9.7 QG2 VAL 32 - QD1 LEU 55 far 0 100 0 - 7.6-9.0 QG2 ILE 7 - QD1 LEU 55 far 0 81 0 - 7.9-9.0 QD2 LEU 2 - QD1 LEU 55 far 0 94 0 - 8.3-11.5 QG2 ILE 8 - QD1 LEU 55 far 0 57 0 - 8.9-10.1 QD1 ILE 76 - QD1 LEU 55 far 0 84 0 - 9.4-10.2 QG2 ILE 15 - QD1 LEU 55 far 0 95 0 - 9.5-10.5 QD1 LEU 70 - QD1 LEU 55 far 0 99 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9273 from cnoeabs.peaks (0.81, 1.03, 42.07 ppm; 5.59 A): 2 out of 9 assignments used, quality = 1.00: QD1 LEU 57 + HB3 LEU 55 OK 98 98 100 100 4.2-6.3 10212/3.1=95, ~10217=64...(19) QD2 LEU 57 + HB3 LEU 55 OK 93 93 100 100 3.2-4.5 10217/3.1=81, ~10212=73...(22) QD2 LEU 103 - HB3 LEU 55 lone 12 98 65 19 3.3-11.5 10128/9286=6, 9272/3.1=5...(6) QD2 LEU 2 - HB3 LEU 55 far 0 100 0 - 7.6-11.6 QG2 VAL 32 - HB3 LEU 55 far 0 95 0 - 8.1-10.4 QG2 ILE 7 - HB3 LEU 55 far 0 96 0 - 8.2-10.4 QG2 ILE 52 - HB3 LEU 55 far 0 65 0 - 8.6-10.8 QD2 LEU 38 - HB3 LEU 55 far 0 99 0 - 8.6-11.9 QD1 ILE 76 - HB3 LEU 55 far 0 97 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 9274 from cnoeabs.peaks (6.93, 0.44, 22.30 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.81: QE PHE 96 + QD1 LEU 55 OK 81 81 100 100 2.7-4.3 9285/2.1=72, 4.4/9256=60...(35) Violated in 0 structures by 0.00 A. Peak 9275 from cnoeabs.peaks (7.03, 0.44, 22.30 ppm; 4.54 A): 3 out of 4 assignments used, quality = 1.00: QD PHE 96 + QD1 LEU 55 OK 100 100 100 100 2.0-3.9 2.4/9256=68, 2.2/9274=60...(40) HZ PHE 96 + QD1 LEU 55 OK 61 61 100 99 4.2-5.4 2.2/9274=60, ~9285=40...(26) HZ3 TRP 92 + QD1 LEU 55 OK 49 59 100 82 4.3-5.5 2.5/9276=55, 6.4/9255=30...(9) HE ARG 91 - QD1 LEU 55 far 0 79 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 9276 from cnoeabs.peaks (7.44, 0.44, 22.30 ppm; 5.30 A): 1 out of 3 assignments used, quality = 0.95: HE3 TRP 92 + QD1 LEU 55 OK 95 98 100 97 2.9-3.9 4.2/9255=68...(14) H ALA 89 - QD1 LEU 55 far 0 93 0 - 7.3-8.4 H ARG 91 - QD1 LEU 55 far 0 84 0 - 7.5-8.5 Violated in 0 structures by 0.00 A. Peak 9277 from cnoeabs.peaks (8.20, 0.44, 22.30 ppm; 5.55 A): 2 out of 4 assignments used, quality = 1.00: H PHE 96 + QD1 LEU 55 OK 99 99 100 100 4.3-6.3 10044/2.1=96...(13) H SER 97 + QD1 LEU 55 OK 91 97 95 99 5.5-7.5 4.2/9256=71...(10) H GLU 104 - QD1 LEU 55 lone 7 97 50 14 5.3-10.5 4.9/9272=4, 7659/9695=3...(5) H LYS 68 - QD1 LEU 55 far 0 96 0 - 8.5-9.9 Violated in 1 structures by 0.02 A. Peak 9278 from cnoeabs.peaks (8.39, 0.44, 22.30 ppm; 5.86 A): 4 out of 4 assignments used, quality = 1.00: H ILE 93 + QD1 LEU 55 OK 84 84 100 100 4.8-6.1 ~9262=77, 10005/2.1=75...(13) H THR 80 + QD1 LEU 55 OK 82 82 100 100 4.7-5.6 2.9/9258=91, 4.6/9252=83...(17) H TYR 4 + QD1 LEU 55 OK 68 79 95 91 6.4-7.5 9293/2537=56...(12) H GLU 95 + QD1 LEU 55 OK 59 79 95 79 5.8-7.9 4.5/10045=48...(9) Violated in 0 structures by 0.00 A. Peak 9279 from cnoeabs.peaks (8.52, 0.44, 22.30 ppm; 4.65 A): 3 out of 3 assignments used, quality = 0.96: H ARG 79 + QD1 LEU 55 OK 88 88 100 100 3.8-4.9 9692=84, 4.1/9252=65...(17) H VAL 54 + QD1 LEU 55 OK 53 73 80 90 5.5-6.4 4.6/2537=47, 3.0/9259=31...(16) H VAL 58 + QD1 LEU 55 OK 30 92 35 92 5.8-7.0 10926/9280=48...(10) Violated in 0 structures by 0.00 A. Peak 9280 from cnoeabs.peaks (8.76, 0.44, 22.30 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: H ARG 81 + QD1 LEU 55 OK 100 100 100 100 3.1-4.9 7311/9258=64...(27) H LYS 82 - QD1 LEU 55 poor 13 65 20 - 5.7-7.2 Violated in 6 structures by 0.04 A. Peak 9281 from cnoeabs.peaks (8.92, 0.44, 22.30 ppm; 5.80 A): 2 out of 3 assignments used, quality = 1.00: H LEU 57 + QD1 LEU 55 OK 100 100 100 100 4.9-5.9 9349=99, 4.5/2544=86...(20) H VAL 5 + QD1 LEU 55 OK 70 100 70 100 6.9-7.6 6055/8197=69, ~8189=57...(14) H ASP 77 - QD1 LEU 55 far 0 71 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 9282 from cnoeabs.peaks (8.35, 0.51, 26.14 ppm; 4.83 A): 3 out of 3 assignments used, quality = 1.00: H ILE 93 + QD2 LEU 55 OK 99 99 100 100 3.2-4.1 10005=97, 3.0/9262=85...(16) H GLU 95 + QD2 LEU 55 OK 92 100 95 97 5.3-6.4 4.5/10044=56...(12) H TYR 4 + QD2 LEU 55 OK 39 100 50 78 5.7-6.9 9293/6911=55...(7) Violated in 0 structures by 0.00 A. Peak 9283 from cnoeabs.peaks (8.21, 0.51, 26.14 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: H PHE 96 + QD2 LEU 55 OK 100 100 100 100 3.9-4.8 10044=99, 7558/9263=66...(17) H SER 97 + QD2 LEU 55 OK 99 100 100 99 4.9-5.7 7572/9263=57...(15) H GLU 104 - QD2 LEU 55 far 10 100 10 - 5.4-12.1 H LEU 27 - QD2 LEU 55 far 0 82 0 - 8.2-9.1 Violated in 2 structures by 0.00 A. Peak 9284 from cnoeabs.peaks (7.03, 0.51, 26.14 ppm; 4.09 A): 2 out of 4 assignments used, quality = 1.00: QD PHE 96 + QD2 LEU 55 OK 100 100 100 100 2.2-3.7 2.4/9263=70...(34) HZ PHE 96 + QD2 LEU 55 OK 57 73 80 97 5.0-5.7 2.2/9285=42, ~9274=34...(19) HZ3 TRP 92 - QD2 LEU 55 far 11 71 15 - 5.4-6.7 HE ARG 91 - QD2 LEU 55 far 0 68 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 9285 from cnoeabs.peaks (6.93, 0.51, 26.14 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.81: QE PHE 96 + QD2 LEU 55 OK 81 81 100 100 3.5-4.7 9274/2.1=84, 4.4/9263=73...(30) Violated in 0 structures by 0.00 A. Peak 9286 from cnoeabs.peaks (6.96, 1.03, 42.07 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 96 + HB3 LEU 55 OK 100 100 100 100 2.2-4.0 10669/3.0=94...(23) Violated in 0 structures by 0.00 A. Peak 9287 from cnoeabs.peaks (7.03, 1.03, 42.07 ppm; 5.43 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 96 + HB3 LEU 55 OK 100 100 100 100 2.7-3.9 2.2/9286=70, ~10669=63...(28) HZ PHE 96 + HB3 LEU 55 OK 73 73 100 100 3.3-4.8 2.2/9286=70, ~10669=63...(15) HZ3 TRP 92 - HB3 LEU 55 far 0 71 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 9288 from cnoeabs.peaks (9.32, 1.03, 42.07 ppm; 6.32 A): 1 out of 1 assignment used, quality = 0.99: H LEU 6 + HB3 LEU 55 OK 99 99 100 100 3.0-5.5 6059/8189=98...(13) Violated in 0 structures by 0.00 A. Peak 9289 from cnoeabs.peaks (7.03, -0.63, 42.07 ppm; 5.43 A): 2 out of 3 assignments used, quality = 1.00: QD PHE 96 + HB2 LEU 55 OK 100 100 100 100 2.6-4.1 2.2/9290=64, ~10669=63...(34) HZ PHE 96 + HB2 LEU 55 OK 61 61 100 100 3.3-4.9 2.2/9290=64, ~10669=63...(18) HZ3 TRP 92 - HB2 LEU 55 far 0 59 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 9290 from cnoeabs.peaks (6.96, -0.63, 42.07 ppm; 6.08 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 96 + HB2 LEU 55 OK 100 100 100 100 2.2-4.2 10669/3.0=97...(31) Violated in 0 structures by 0.00 A. Peak 9302 from cnoeabs.peaks (5.33, 1.76, 38.18 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: HA THR 80 + HB ILE 56 OK 100 100 100 100 1.7-2.4 10293=99, 3.2/9729=66...(30) Violated in 0 structures by 0.00 A. Peak 9303 from cnoeabs.peaks (8.77, 1.76, 38.18 ppm; 5.03 A): 1 out of 3 assignments used, quality = 0.97: H ARG 81 + HB ILE 56 OK 97 97 100 100 2.4-3.8 7311/10293=84...(23) H ILE 8 - HB ILE 56 poor 18 85 25 84 6.3-7.3 8292/6931=53...(7) H SER 59 - HB ILE 56 far 0 85 0 - 8.1-9.4 Violated in 0 structures by 0.00 A. Peak 9304 from cnoeabs.peaks (4.67, 1.76, 38.18 ppm; 5.28 A): 2 out of 3 assignments used, quality = 1.00: HA LEU 55 + HB ILE 56 OK 100 100 100 100 4.3-5.0 6915/3.8=89...(16) HA ARG 79 + HB ILE 56 OK 54 59 100 90 5.2-6.6 3.0/7285=29...(17) HA LYS 82 - HB ILE 56 poor 19 81 35 69 5.9-7.9 9386/10225=27...(7) Violated in 0 structures by 0.00 A. Peak 9305 from cnoeabs.peaks (4.70, 0.60, 16.63 ppm; 5.43 A): 3 out of 3 assignments used, quality = 0.99: HA LEU 55 + QG2 ILE 56 OK 80 81 100 99 5.3-5.4 6915/4.0=72...(17) HA LYS 82 + QG2 ILE 56 OK 77 100 100 77 4.6-6.6 9711/9734=26...(9) HA ARG 79 + QG2 ILE 56 OK 69 97 75 95 6.1-7.3 9711/9734=48...(15) Violated in 0 structures by 0.00 A. Peak 9306 from cnoeabs.peaks (5.12, 0.60, 16.63 ppm; 5.27 A): 2 out of 3 assignments used, quality = 1.00: HA ILE 7 + QG2 ILE 56 OK 97 98 100 100 3.2-4.1 9332/2576=85...(20) HA VAL 5 + QG2 ILE 56 OK 96 98 100 98 5.3-6.6 6059/9311=77...(14) HA TYR 4 - QG2 ILE 56 far 0 85 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 9307 from cnoeabs.peaks (5.34, 0.60, 16.63 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.99: HA THR 80 + QG2 ILE 56 OK 99 99 100 100 2.6-4.0 10293/2.1=87...(29) Violated in 0 structures by 0.00 A. Peak 9308 from cnoeabs.peaks (5.45, 0.60, 16.63 ppm; 5.39 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 6 + QG2 ILE 56 OK 96 96 100 100 4.1-5.6 3.0/10672=93...(27) Violated in 3 structures by 0.02 A. Peak 9309 from cnoeabs.peaks (8.51, 0.60, 16.63 ppm; 4.85 A): 4 out of 6 assignments used, quality = 1.00: H ARG 79 + QG2 ILE 56 OK 93 97 100 96 5.3-6.3 9297/4.0=60, 7285/2.1=31...(13) H VAL 58 + QG2 ILE 56 OK 78 79 100 99 2.9-4.4 4.6/2576=62, 4.0/9324=47...(20) H ALA 67 + QG2 ILE 56 OK 71 71 100 100 4.1-5.0 2.9/9528=86, ~10677=41...(24) H VAL 32 + QG2 ILE 56 OK 39 71 100 54 4.8-6.3 4.0/10674=29...(7) H THR 31 - QG2 ILE 56 far 0 95 0 - 7.1-8.7 H VAL 54 - QG2 ILE 56 far 0 88 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 9310 from cnoeabs.peaks (8.77, 0.60, 16.63 ppm; 4.69 A): 3 out of 3 assignments used, quality = 1.00: H ARG 81 + QG2 ILE 56 OK 97 97 100 100 2.4-4.3 9735=95, 3573/9734=70...(25) H ILE 8 + QG2 ILE 56 OK 84 85 100 98 3.8-4.4 3.8/10383=54...(17) H SER 59 + QG2 ILE 56 OK 34 85 45 88 5.7-6.6 4.4/9324=40...(12) Violated in 0 structures by 0.00 A. Peak 9311 from cnoeabs.peaks (9.31, 0.60, 16.63 ppm; 4.76 A): 1 out of 2 assignments used, quality = 1.00: H LEU 6 + QG2 ILE 56 OK 100 100 100 100 3.6-5.0 8216/3.2=79...(22) H LYS 33 - QG2 ILE 56 far 0 99 0 - 7.0-8.5 Violated in 3 structures by 0.03 A. Peak 9312 from cnoeabs.peaks (8.47, 0.71, 27.60 ppm; 6.18 A): 4 out of 7 assignments used, quality = 1.00: H ILE 7 + HG13 ILE 56 OK 87 98 90 100 4.2-8.1 4.3/10676=79...(11) H ALA 67 + HG13 ILE 56 OK 84 99 85 100 5.3-8.0 2.9/10677=99...(17) H ARG 79 + HG13 ILE 56 OK 79 81 100 98 3.3-6.3 9697/2585=57...(17) H VAL 54 + HG13 ILE 56 OK 32 93 45 78 5.9-8.6 3.9/10678=55...(6) H VAL 32 - HG13 ILE 56 far 15 99 15 - 6.5-9.9 H THR 31 - HG13 ILE 56 far 0 85 0 - 8.2-11.3 H LYS 53 - HG13 ILE 56 far 0 100 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 9313 from cnoeabs.peaks (9.30, 0.71, 27.60 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.98: H LEU 6 + HG13 ILE 56 OK 98 98 100 100 3.7-5.9 8216/3.9=78, 9311/3.2=72...(17) H LYS 33 - HG13 ILE 56 far 0 100 0 - 8.8-11.4 Violated in 13 structures by 0.17 A. Peak 9314 from cnoeabs.peaks (9.30, 0.71, 13.82 ppm; 5.52 A): 3 out of 4 assignments used, quality = 1.00: H LEU 6 + QD1 ILE 56 OK 98 98 100 100 2.4-5.9 9313/2.1=83, 8216/4.2=79...(22) H LYS 33 + QD1 ILE 8 OK 96 98 100 99 4.6-6.2 4.4/12200=76...(12) H LEU 6 + QD1 ILE 8 OK 83 94 100 88 5.3-6.9 9311/2596=36...(13) H LYS 33 - QD1 ILE 56 far 5 100 5 - 6.5-10.5 Violated in 0 structures by 0.00 A. Peak 9315 from cnoeabs.peaks (5.30, 0.71, 27.60 ppm; 5.79 A): 1 out of 1 assignment used, quality = 0.82: HA THR 80 + HG13 ILE 56 OK 82 82 100 100 3.1-4.9 ~12206=75, 10293/2.9=74...(30) Violated in 0 structures by 0.00 A. Peak 9316 from cnoeabs.peaks (4.67, 0.71, 27.60 ppm; 6.13 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 55 + HG13 ILE 56 OK 100 100 100 100 3.4-5.9 6915/2585=90...(17) HA LYS 82 - HG13 ILE 56 far 0 79 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 9317 from cnoeabs.peaks (4.66, 1.53, 27.60 ppm; 6.01 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 55 + HG12 ILE 56 OK 99 99 100 100 3.3-5.7 6915/2577=89...(20) Violated in 0 structures by 0.00 A. Peak 9321 from cnoeabs.peaks (3.67, 1.76, 38.18 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.99: HB THR 80 + HB ILE 56 OK 99 99 100 100 3.5-4.3 2.1/9729=93...(25) HA LEU 42 - HB ILE 56 far 0 70 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 9322 from cnoeabs.peaks (3.84, 0.60, 16.63 ppm; 5.33 A): 3 out of 6 assignments used, quality = 0.99: HA ALA 67 + QG2 ILE 56 OK 97 97 100 100 4.2-5.4 2.1/9528=94, ~10677=61...(17) HA LYS 68 + QG2 ILE 56 OK 62 70 100 89 4.6-6.4 4.9/9528=68...(5) HA LEU 38 + QG2 ILE 56 OK 46 70 100 67 4.7-6.5 2983/9528=19...(11) HA ALA 71 - QG2 ILE 56 far 0 100 0 - 7.2-8.5 HA ARG 19 - QG2 ILE 56 far 0 77 0 - 9.4-10.6 HA LYS 40 - QG2 ILE 56 far 0 85 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 9323 from cnoeabs.peaks (3.66, 0.60, 16.63 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.96: HB THR 80 + QG2 ILE 56 OK 96 96 100 100 3.0-4.9 2.1/9734=100...(23) Violated in 0 structures by 0.00 A. Peak 9324 from cnoeabs.peaks (2.57, 0.60, 16.63 ppm; 5.57 A): 1 out of 2 assignments used, quality = 0.84: HB VAL 58 + QG2 ILE 56 OK 84 85 100 99 4.2-5.2 8301/10383=60...(17) HG3 GLN 72 - QG2 ILE 56 far 0 65 0 - 8.4-9.9 Violated in 0 structures by 0.00 A. Peak 9325 from cnoeabs.peaks (1.33, 0.60, 16.63 ppm; 3.27 A): 2 out of 11 assignments used, quality = 1.00: QB ALA 67 + QG2 ILE 56 OK 99 100 100 99 1.9-2.8 9528=92, 10677/3.2=27...(25) HG12 ILE 8 + QG2 ILE 56 OK 63 73 100 86 2.2-3.9 2.1/8313=34...(25) HB2 LYS 82 - QG2 ILE 56 far 0 98 0 - 5.5-8.0 HG3 LYS 68 - QG2 ILE 56 far 0 94 0 - 5.7-8.2 HB2 LEU 70 - QG2 ILE 56 far 0 61 0 - 6.2-7.4 QB ALA 89 - QG2 ILE 56 far 0 99 0 - 6.3-7.2 HB3 LEU 42 - QG2 ILE 56 far 0 81 0 - 6.8-8.8 HG2 ARG 30 - QG2 ILE 56 far 0 63 0 - 7.0-9.3 HG LEU 14 - QG2 ILE 56 far 0 93 0 - 8.4-9.4 HG2 LYS 39 - QG2 ILE 56 far 0 97 0 - 9.0-10.9 HB3 LEU 27 - QG2 ILE 56 far 0 98 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9326 from cnoeabs.peaks (1.16, 0.60, 16.63 ppm; 4.24 A): 2 out of 6 assignments used, quality = 0.98: HB2 LEU 6 + QG2 ILE 56 OK 94 94 100 100 2.1-4.1 1.8/10672=87, 8235=48...(32) HB2 LEU 57 + QG2 ILE 56 OK 64 70 100 92 5.0-5.6 3.9/2576=58, 1.8/9355=26...(15) QG2 THR 31 - QG2 ILE 56 far 0 91 0 - 6.3-7.0 HG3 LYS 82 - QG2 ILE 56 far 0 87 0 - 6.8-9.1 HB2 LEU 29 - QG2 ILE 56 far 0 100 0 - 7.9-10.0 QG2 THR 34 - QG2 ILE 56 far 0 98 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 9327 from cnoeabs.peaks (0.97, 0.60, 16.63 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.99: QG2 THR 80 + QG2 ILE 56 OK 98 98 100 100 1.8-3.2 9734=97, 9729/2.1=68...(28) HG LEU 55 + QG2 ILE 56 OK 46 100 55 84 4.9-5.5 9328/2.1=28, 2536/4.0=21...(21) QG2 VAL 83 - QG2 ILE 56 far 5 100 5 - 4.9-5.9 HB2 ARG 81 - QG2 ILE 56 far 0 68 0 - 5.3-7.2 QG2 VAL 5 - QG2 ILE 56 far 0 91 0 - 6.2-7.4 Violated in 0 structures by 0.00 A. Peak 9328 from cnoeabs.peaks (0.96, 1.76, 38.18 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.96: QG2 THR 80 + HB ILE 56 OK 85 85 100 100 1.9-2.6 9729=76, 9734/2.1=58...(27) HG LEU 55 + HB ILE 56 OK 75 99 95 79 4.7-5.2 2536/3.8=24, 9327/2.1=22...(15) HB2 ARG 81 - HB ILE 56 far 0 88 0 - 5.8-7.1 QG2 VAL 83 - HB ILE 56 far 0 99 0 - 6.4-7.5 QG2 VAL 5 - HB ILE 56 far 0 99 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 9329 from cnoeabs.peaks (1.34, 1.76, 38.18 ppm; 4.77 A): 2 out of 7 assignments used, quality = 1.00: QB ALA 67 + HB ILE 56 OK 100 100 100 100 2.9-3.9 9528/2.1=98...(26) HG12 ILE 8 + HB ILE 56 OK 63 92 70 99 4.8-7.0 ~10383=44, 8312/2.1=39...(22) HG3 LYS 68 - HB ILE 56 far 10 100 10 - 5.5-8.6 HB2 LYS 82 - HB ILE 56 far 0 100 0 - 6.8-8.9 QB ALA 89 - HB ILE 56 far 0 100 0 - 7.8-9.0 HB2 LEU 70 - HB ILE 56 far 0 84 0 - 7.9-9.3 HB3 ARG 30 - HB ILE 56 far 0 81 0 - 8.7-10.5 Violated in 0 structures by 0.00 A. Peak 9334 from cnoeabs.peaks (8.75, 5.39, 52.09 ppm; 4.40 A): 2 out of 2 assignments used, quality = 1.00: H ARG 81 + HA LEU 57 OK 100 100 100 100 2.9-3.8 11122=99, 10926/6945=69...(25) H LYS 82 + HA LEU 57 OK 70 71 100 97 5.0-5.3 4.7/11122=52...(16) Violated in 0 structures by 0.00 A. Peak 9335 from cnoeabs.peaks (9.10, 5.39, 52.09 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.99: H VAL 83 + HA LEU 57 OK 99 99 100 100 3.8-5.0 9773=98, 9771/6945=96...(16) H ARG 30 - HA LEU 57 far 0 99 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 9336 from cnoeabs.peaks (8.79, 1.20, 42.45 ppm; 5.64 A): 3 out of 4 assignments used, quality = 1.00: H ILE 8 + HB2 LEU 57 OK 100 100 100 100 4.3-5.1 8289/1.8=99...(14) H SER 59 + HB2 LEU 57 OK 94 100 100 94 6.5-6.9 4.7/6946=73...(7) H ARG 81 + HB2 LEU 57 OK 69 70 100 100 5.0-6.3 9737=60, 11122/2.9=59...(14) H ALA 22 - HB2 LEU 57 far 0 88 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9337 from cnoeabs.peaks (8.78, 1.82, 42.45 ppm; 5.17 A): 2 out of 4 assignments used, quality = 0.99: H ILE 8 + HB3 LEU 57 OK 93 93 100 100 3.7-4.4 8289=90, 6087/8272=79...(18) H ARG 81 + HB3 LEU 57 OK 92 92 100 100 5.6-6.3 11122/2.9=82...(15) H SER 59 - HB3 LEU 57 far 0 93 0 - 6.9-7.6 H ALA 22 - HB3 LEU 57 far 0 63 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 9338 from cnoeabs.peaks (8.76, 0.83, 23.91 ppm; 4.11 A): 2 out of 4 assignments used, quality = 1.00: H ARG 81 + QD1 LEU 57 OK 100 100 100 100 3.2-4.4 11122/2642=66, 9736=61...(21) H LYS 82 + QD1 LEU 57 OK 53 59 100 89 4.6-5.4 4.7/9736=27...(14) H ILE 8 - QD1 LEU 57 far 0 63 0 - 5.6-6.1 H SER 59 - QD1 LEU 57 far 0 63 0 - 6.7-7.5 Violated in 0 structures by 0.00 A. Peak 9339 from cnoeabs.peaks (9.20, 0.83, 23.91 ppm; 5.52 A): 3 out of 4 assignments used, quality = 1.00: H ILE 56 + QD1 LEU 57 OK 97 98 100 100 2.9-5.5 6920/10212=74...(14) H THR 84 + QD1 LEU 57 OK 83 100 90 92 5.3-7.7 3747/9804=61...(7) H GLU 35 + QD2 LEU 70 OK 38 42 100 92 4.9-6.7 3.0/10698=28, ~10609=18...(17) H ILE 56 - QD2 LEU 70 far 0 54 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 9340 from cnoeabs.peaks (9.20, 0.80, 25.48 ppm; 5.72 A): 4 out of 8 assignments used, quality = 1.00: H ILE 56 + QD2 LEU 57 OK 99 100 100 99 2.9-3.8 6920/10217=69...(18) H ILE 56 + QD1 LEU 6 OK 61 67 95 96 5.1-7.4 11108/4.6=66, ~8223=36...(13) H GLU 35 + QD2 LEU 38 OK 52 53 100 99 3.2-6.6 10554/4.5=56, ~10168=37...(30) H GLU 35 + QD1 LEU 70 OK 47 50 100 95 4.1-5.8 ~9541=29, 3.0/10609=24...(19) H ILE 56 - QD2 LEU 38 far 9 63 15 - 5.9-8.9 H THR 84 - QD2 LEU 57 far 0 100 0 - 7.8-9.0 H GLU 35 - QD1 LEU 6 far 0 56 0 - 8.7-11.3 H ILE 56 - QD1 LEU 70 far 0 60 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 9341 from cnoeabs.peaks (7.43, 0.83, 23.91 ppm; 4.28 A): 3 out of 5 assignments used, quality = 1.00: HE3 TRP 92 + QD1 LEU 57 OK 99 100 100 99 1.8-2.3 4.2/9357=49, 4.2/9358=48...(19) H ALA 89 + QD1 LEU 57 OK 92 99 95 98 3.8-6.0 9926=54, 3.0/10698=38...(25) H ARG 91 + QD1 LEU 57 OK 29 70 70 59 5.3-7.2 7409/9926=27...(7) HE22 GLN 72 - QD2 LEU 70 far 0 58 0 - 6.0-9.0 HE ARG 46 - QD2 LEU 70 far 0 34 0 - 9.6-12.1 Violated in 0 structures by 0.00 A. Peak 9342 from cnoeabs.peaks (6.86, 0.83, 23.91 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.91: HD1 TRP 92 + QD1 LEU 57 OK 91 96 95 99 4.7-5.7 14636=63, 3.9/9357=51...(16) HE21 GLN 72 - QD2 LEU 70 far 0 58 0 - 5.8-8.8 QD TYR 41 - QD2 LEU 70 far 0 42 0 - 6.5-9.7 QE TYR 41 - QD2 LEU 70 far 0 58 0 - 7.5-10.5 HD21 ASN 60 - QD1 LEU 57 far 0 95 0 - 9.0-10.6 QD TYR 41 - QD1 LEU 57 far 0 82 0 - 10.0-11.0 Violated in 20 structures by 0.93 A. Peak 9343 from cnoeabs.peaks (7.43, 0.80, 25.48 ppm; 5.25 A): 2 out of 11 assignments used, quality = 1.00: HE3 TRP 92 + QD2 LEU 57 OK 98 100 100 98 3.1-4.7 9997=45, 9341/2.1=42...(15) H ALA 89 + QD2 LEU 57 OK 97 99 100 99 6.0-6.2 9926/2.1=61, 3.0/9929=38...(21) H ARG 91 - QD2 LEU 57 poor 14 70 20 - 6.6-7.2 HE ARG 19 - QD1 LEU 6 far 3 61 5 - 6.4-11.4 HE22 GLN 72 - QD1 LEU 70 far 0 60 0 - 7.2-10.8 HE ARG 19 - QD2 LEU 57 far 0 96 0 - 8.5-11.8 HE22 GLN 72 - QD2 LEU 38 far 0 64 0 - 8.7-11.5 HE ARG 46 - QD1 LEU 70 far 0 35 0 - 9.0-11.7 H LYS 47 - QD1 LEU 6 far 0 37 0 - 9.4-11.3 HE ARG 19 - QD2 LEU 38 far 0 57 0 - 9.7-14.8 HE ARG 46 - QD1 LEU 6 far 0 40 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 9344 from cnoeabs.peaks (5.12, 1.82, 42.45 ppm; 4.54 A): 1 out of 4 assignments used, quality = 1.00: HA ILE 7 + HB3 LEU 57 OK 100 100 100 100 2.5-3.0 8272=99, 9345/1.8=72...(32) HA VAL 5 - HB3 LEU 57 far 0 94 0 - 6.2-7.1 HA SER 85 - HB3 LEU 57 far 0 98 0 - 9.1-10.3 HA VAL 54 - HB3 LEU 57 far 0 68 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 9345 from cnoeabs.peaks (5.12, 1.20, 42.45 ppm; 4.78 A): 1 out of 3 assignments used, quality = 1.00: HA ILE 7 + HB2 LEU 57 OK 100 100 100 100 3.6-4.4 8272/1.8=94, 9332/3.9=71...(26) HA VAL 5 - HB2 LEU 57 far 0 94 0 - 7.7-8.6 HA SER 85 - HB2 LEU 57 far 0 98 0 - 7.8-9.0 Violated in 0 structures by 0.00 A. Peak 9346 from cnoeabs.peaks (5.11, 0.83, 23.91 ppm; 6.50 A): 2 out of 5 assignments used, quality = 1.00: HA VAL 5 + QD1 LEU 57 OK 99 100 100 99 5.1-7.3 9261/10212=57...(22) HA ILE 7 + QD1 LEU 57 OK 85 85 100 100 4.8-5.3 9332/2641=85...(25) HA SER 85 - QD1 LEU 57 poor 12 77 65 23 7.4-9.8 9834/9339=21 HA TYR 4 - QD1 LEU 57 far 0 63 0 - 8.8-10.9 HA LEU 3 - QD1 LEU 57 far 0 90 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 9350 from cnoeabs.peaks (0.62, 5.39, 52.09 ppm; 4.92 A): 2 out of 4 assignments used, quality = 1.00: QD1 ILE 7 + HA LEU 57 OK 100 100 100 100 4.4-4.7 8287/2.9=70, ~8284=51...(33) QG2 ILE 56 + HA LEU 57 OK 88 88 100 100 3.2-4.2 2576/3.0=74...(24) QD1 LEU 29 - HA LEU 57 poor 16 75 55 39 5.8-8.8 8671/2.9=16, ~9355=10...(6) QD2 LEU 29 - HA LEU 57 far 0 92 0 - 6.5-8.6 Violated in 0 structures by 0.00 A. Peak 9351 from cnoeabs.peaks (0.44, 5.39, 52.09 ppm; 5.76 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HA LEU 57 OK 100 100 100 100 4.3-5.4 9280/11122=81...(17) HG2 ARG 81 + HA LEU 57 OK 98 99 100 99 5.0-6.2 4.9/11122=77...(11) Violated in 0 structures by 0.00 A. Peak 9352 from cnoeabs.peaks (0.97, 5.39, 52.09 ppm; 4.17 A): 4 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + HA LEU 57 OK 99 99 100 100 2.6-3.5 9783=61, 9788/6945=59...(27) HG LEU 55 + HA LEU 57 OK 93 99 100 93 4.4-4.8 9356/2.9=30, ~9349=29...(17) QG2 THR 80 + HA LEU 57 OK 75 100 80 94 4.1-6.2 3573/11122=60...(13) QG1 VAL 83 + HA LEU 57 OK 63 63 100 100 3.2-4.1 2.1/9783=56, 4.0/9773=36...(26) QG2 VAL 5 - HA LEU 57 far 0 82 0 - 7.0-8.3 Violated in 0 structures by 0.00 A. Peak 9353 from cnoeabs.peaks (0.61, 1.20, 42.45 ppm; 4.61 A): 2 out of 3 assignments used, quality = 1.00: QD1 ILE 7 + HB2 LEU 57 OK 98 98 100 100 2.4-3.2 8287/1.8=74, ~8284=58...(34) QG2 ILE 56 + HB2 LEU 57 OK 97 99 100 97 5.0-5.6 2576/3.9=66...(16) QD2 LEU 29 - HB2 LEU 57 poor 18 68 45 58 5.3-7.5 ~8671=18, 9355/1.8=17...(10) Violated in 0 structures by 0.00 A. Peak 9354 from cnoeabs.peaks (0.96, 1.20, 42.45 ppm; 3.94 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + HB2 LEU 57 OK 100 100 100 100 1.8-2.3 9819=77, 2.1/9809=72...(29) HB2 ARG 81 + HB2 LEU 57 OK 60 79 85 89 4.3-5.6 4.0/9737=29, ~12209=20...(16) HG LEU 55 - HB2 LEU 57 far 15 100 15 - 5.2-5.9 QG2 THR 80 - HB2 LEU 57 far 0 93 0 - 6.2-8.2 QG2 VAL 5 - HB2 LEU 57 far 0 96 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 9355 from cnoeabs.peaks (0.61, 1.82, 42.45 ppm; 4.51 A): 3 out of 3 assignments used, quality = 1.00: QD1 ILE 7 + HB3 LEU 57 OK 100 100 100 100 1.9-2.2 8287=86, 2.1/8284=76...(41) QG2 ILE 56 + HB3 LEU 57 OK 94 97 100 97 4.4-5.0 2576/6938=67...(19) QD2 LEU 29 + HB3 LEU 57 OK 51 79 80 81 4.2-6.2 2.1/8671=21, 247/8277=19...(17) Violated in 0 structures by 0.00 A. Peak 9356 from cnoeabs.peaks (0.97, 1.82, 42.45 ppm; 4.19 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + HB3 LEU 57 OK 100 100 100 100 3.2-3.7 9819/1.8=71, ~9809=55...(32) HG LEU 55 + HB3 LEU 57 OK 99 100 100 99 4.5-5.4 ~10212=41, ~10217=36...(26) HB2 ARG 81 - HB3 LEU 57 far 3 68 5 - 5.6-7.1 QG2 VAL 5 - HB3 LEU 57 far 0 91 0 - 6.0-6.9 QG2 THR 80 - HB3 LEU 57 far 0 98 0 - 6.2-7.9 Violated in 0 structures by 0.00 A. Peak 9357 from cnoeabs.peaks (3.10, 0.83, 23.91 ppm; 4.05 A): 1 out of 6 assignments used, quality = 0.99: HB2 TRP 92 + QD1 LEU 57 OK 99 100 100 99 2.0-3.2 1.8/9358=71, 3.9/9342=48...(20) HD2 ARG 79 - QD1 LEU 57 far 8 81 10 - 4.9-9.6 HD3 ARG 79 - QD1 LEU 57 lone 3 84 25 15 4.2-9.4 9696/9272=5...(3) HB2 PHE 96 - QD1 LEU 57 far 0 100 0 - 5.8-7.1 HB3 HIS 105 - QD1 LEU 57 far 0 68 0 - 6.5-16.0 HB2 HIS 105 - QD1 LEU 57 far 0 85 0 - 7.1-15.7 Violated in 0 structures by 0.00 A. Peak 9358 from cnoeabs.peaks (3.19, 0.83, 23.91 ppm; 4.23 A): 1 out of 3 assignments used, quality = 1.00: HB3 TRP 92 + QD1 LEU 57 OK 100 100 100 100 2.5-3.3 1.8/9357=79...(22) HB2 HIS 106 - QD1 LEU 57 far 0 99 0 - 7.0-17.1 HD3 ARG 46 - QD2 LEU 70 far 0 58 0 - 8.2-10.3 Violated in 0 structures by 0.00 A. Peak 9359 from cnoeabs.peaks (3.12, 0.80, 25.48 ppm; 5.87 A): 3 out of 7 assignments used, quality = 0.97: HB2 TRP 92 + QD2 LEU 57 OK 91 91 100 100 3.2-4.8 ~9358=85, 9357/2.1=76...(23) HB2 PHE 96 + QD2 LEU 57 OK 56 88 100 63 5.2-5.8 4325/9360=48...(7) HD3 ARG 30 + QD1 LEU 6 OK 34 35 100 99 4.4-6.8 ~8722=81, ~8229=38...(17) HD3 ARG 30 - QD2 LEU 38 far 0 32 0 - 7.9-11.2 HB2 PHE 96 - QD1 LEU 6 far 0 54 0 - 8.6-11.4 HB2 HIS 105 - QD2 LEU 57 far 0 100 0 - 8.7-17.5 HD3 ARG 30 - QD2 LEU 57 far 0 61 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 9360 from cnoeabs.peaks (3.56, 0.80, 25.48 ppm; 6.00 A): 1 out of 2 assignments used, quality = 0.89: HA ILE 93 + QD2 LEU 57 OK 89 99 100 91 3.8-4.5 9262/10217=70, ~2628=24...(10) HA ILE 93 - QD1 LEU 6 far 0 64 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 9361 from cnoeabs.peaks (2.10, 5.39, 52.09 ppm; 5.98 A): 3 out of 5 assignments used, quality = 0.99: HB VAL 83 + HA LEU 57 OK 96 96 100 100 5.5-6.2 2.1/9797=97, 2.1/9783=95...(14) HB3 GLU 88 + HA LEU 57 OK 77 93 100 83 6.5-7.3 9917/9797=37...(5) HB2 LEU 64 + HA LEU 57 OK 47 96 55 90 6.6-8.1 9382/10706=58...(6) HG3 GLU 104 - HA LEU 57 far 0 100 0 - 8.4-18.4 HB3 LEU 38 - HA LEU 57 far 0 87 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 9362 from cnoeabs.peaks (2.10, 1.20, 42.45 ppm; 5.61 A): 2 out of 7 assignments used, quality = 0.99: HB VAL 83 + HB2 LEU 57 OK 96 96 100 100 4.1-4.9 2.1/9809=99, 9820=94...(21) HB3 GLU 88 + HB2 LEU 57 OK 82 93 100 88 4.9-5.9 9917/9809=40...(8) HB2 PRO 86 - HB2 LEU 57 far 0 88 0 - 8.2-9.7 HB2 LEU 64 - HB2 LEU 57 far 0 96 0 - 8.5-10.0 HB3 PRO 86 - HB2 LEU 57 far 0 99 0 - 8.5-9.8 HG3 GLU 104 - HB2 LEU 57 far 0 100 0 - 8.7-19.5 QE MET 21 - HB2 LEU 57 far 0 100 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 9363 from cnoeabs.peaks (0.98, 0.83, 23.91 ppm; 2.90 A): 3 out of 6 assignments used, quality = 1.00: HG LEU 55 + QD1 LEU 57 OK 92 96 100 95 1.8-4.4 2.1/10212=50...(27) QG2 VAL 83 + QD1 LEU 57 OK 92 96 100 96 1.8-4.0 2.1/9804=26, 9819/3.1=25...(29) QG1 VAL 83 + QD1 LEU 57 OK 72 75 100 96 1.7-3.1 2.1/9804=26, 9808=23...(29) QG2 THR 80 - QD1 LEU 57 far 0 100 0 - 4.5-6.6 QG2 VAL 5 - QD1 LEU 57 far 0 71 0 - 4.7-6.7 QG2 THR 80 - QD2 LEU 70 far 0 58 0 - 5.9-7.1 Violated in 0 structures by 0.00 A. Peak 9364 from cnoeabs.peaks (0.96, 0.80, 25.48 ppm; 3.30 A): 4 out of 16 assignments used, quality = 1.00: QG2 VAL 83 + QD2 LEU 57 OK 99 100 100 99 3.7-4.5 9819/3.1=36, 2.1/9808=35...(32) HG LEU 55 + QD2 LEU 57 OK 98 100 100 98 1.8-2.2 2.1/10217=44, ~10212=35...(32) QG2 VAL 5 + QD2 LEU 57 OK 70 96 95 77 3.4-5.2 2549/10217=17...(22) HB2 ARG 81 + QD2 LEU 57 OK 59 79 95 78 2.9-6.4 9354/3.1=15...(18) QG2 THR 80 - QD2 LEU 57 far 14 93 15 - 4.4-6.0 QG2 THR 80 - QD1 LEU 6 far 9 58 15 - 4.7-7.2 QG2 THR 80 - QD2 LEU 38 lone 4 55 45 17 3.8-5.7 9732/9526=5...(8) QG2 VAL 5 - QD1 LEU 6 far 0 62 0 - 4.9-6.6 QG2 THR 80 - QD1 LEU 70 far 0 52 0 - 5.4-7.0 HG LEU 55 - QD1 LEU 6 far 0 68 0 - 6.1-8.3 HG LEU 55 - QD2 LEU 38 far 0 64 0 - 7.4-10.5 QG2 VAL 83 - QD2 LEU 38 far 0 64 0 - 8.0-9.3 QG2 VAL 83 - QD1 LEU 6 far 0 68 0 - 8.1-8.5 QG2 VAL 5 - QD2 LEU 38 far 0 58 0 - 8.1-10.7 HB2 ARG 81 - QD1 LEU 6 far 0 46 0 - 9.3-11.7 HB2 ARG 81 - QD2 LEU 38 far 0 44 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 9365 from cnoeabs.peaks (0.97, 1.50, 26.28 ppm; 4.12 A): 4 out of 7 assignments used, quality = 1.00: QG2 VAL 83 + HG LEU 57 OK 100 100 100 100 3.3-4.2 9819/3.0=55, 9817=49...(24) HG LEU 55 + HG LEU 57 OK 100 100 100 100 3.9-4.6 2.1/9268=60, ~10212=54...(21) HB2 ARG 81 + HG LEU 57 OK 55 68 95 86 4.6-6.4 9354/3.0=24, ~9748=22...(14) QG2 VAL 5 + HG LEU 57 OK 45 91 60 83 5.3-6.3 2549/9268=24...(18) QG2 VAL 5 - HG3 ARG 30 far 0 43 0 - 6.2-7.9 QG2 THR 80 - HG LEU 57 far 0 98 0 - 7.0-8.8 HG LEU 55 - HG3 ARG 30 far 0 53 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 9367 from cnoeabs.peaks (0.94, 5.25, 58.24 ppm; 4.93 A): 2 out of 6 assignments used, quality = 0.94: QG2 VAL 83 + HA VAL 58 OK 90 92 100 98 3.8-4.2 9788/3.0=70, ~9792=43...(14) QG2 THR 80 + HA VAL 58 OK 39 63 80 76 5.3-7.3 ~9724=18, 10221/3.2=17...(13) QG1 VAL 32 - HA VAL 58 far 0 63 0 - 6.8-8.0 HB2 ARG 81 - HA VAL 58 far 0 99 0 - 7.3-8.4 HG LEU 55 - HA VAL 58 far 0 91 0 - 8.4-8.8 QG2 VAL 5 - HA VAL 58 far 0 100 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9368 from cnoeabs.peaks (1.20, 5.25, 58.24 ppm; 5.63 A): 1 out of 4 assignments used, quality = 1.00: HB2 LEU 57 + HA VAL 58 OK 100 100 100 100 4.6-5.1 6946/3.0=93, ~6947=68...(23) HB2 LEU 6 - HA VAL 58 poor 20 93 40 54 6.7-7.7 8288/8298=37...(5) QB ALA 18 - HA VAL 58 far 4 79 5 - 7.1-8.0 QG2 THR 34 - HA VAL 58 far 0 87 0 - 10.0-10.9 Violated in 0 structures by 0.00 A. Peak 9369 from cnoeabs.peaks (1.36, 5.25, 58.24 ppm; 4.84 A): 3 out of 6 assignments used, quality = 1.00: HG12 ILE 8 + HA VAL 58 OK 100 100 100 100 3.0-4.8 2.9/9374=89...(37) QB ALA 67 + HA VAL 58 OK 52 87 65 91 5.6-6.7 293/9374=27, 9378/3.2=26...(15) QB ALA 89 + HA VAL 58 OK 27 90 60 51 6.0-6.6 9931/9367=36...(6) HB2 LYS 82 - HA VAL 58 far 0 94 0 - 6.4-7.3 HG LEU 14 - HA VAL 58 far 0 99 0 - 7.0-8.1 HB3 ARG 30 - HA VAL 58 far 0 99 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 9370 from cnoeabs.peaks (1.49, 5.25, 58.24 ppm; 5.38 A): 2 out of 11 assignments used, quality = 1.00: HB3 LEU 64 + HA VAL 58 OK 100 100 100 100 5.5-5.9 ~10219=64, 9415/9422=63...(26) HB ILE 7 + HA VAL 58 OK 58 65 100 88 6.3-6.7 4.5/8298=74...(5) HD2 LYS 82 - HA VAL 58 far 4 82 5 - 6.8-8.7 HG LEU 57 - HA VAL 58 far 0 96 0 - 7.0-7.1 HG LEU 38 - HA VAL 58 far 0 82 0 - 7.7-11.0 HG2 LYS 66 - HA VAL 58 far 0 100 0 - 8.0-10.6 HG LEU 64 - HA VAL 58 far 0 100 0 - 8.0-8.5 HB2 LEU 14 - HA VAL 58 far 0 65 0 - 8.1-9.5 HG3 LYS 66 - HA VAL 58 far 0 100 0 - 8.5-11.1 HG LEU 6 - HA VAL 58 far 0 59 0 - 8.7-9.9 HB2 LEU 38 - HA VAL 58 far 0 75 0 - 9.1-11.1 Violated in 8 structures by 0.03 A. Peak 9373 from cnoeabs.peaks (2.21, 5.25, 58.24 ppm; 5.17 A): 1 out of 1 assignment used, quality = 0.99: HB2 GLU 63 + HA VAL 58 OK 99 99 100 100 3.8-5.0 10700/3.0=86...(29) Violated in 0 structures by 0.00 A. Peak 9374 from cnoeabs.peaks (1.89, 5.25, 58.24 ppm; 3.54 A): 1 out of 5 assignments used, quality = 1.00: HB ILE 8 + HA VAL 58 OK 100 100 100 100 1.9-2.7 8300=88, 6094/8298=45...(36) HB3 LEU 14 - HA VAL 58 far 0 99 0 - 7.6-8.9 HB3 LYS 66 - HA VAL 58 far 0 75 0 - 7.6-8.8 HB3 LYS 68 - HA VAL 58 far 0 91 0 - 9.6-10.8 HB2 LYS 33 - HA VAL 58 far 0 85 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 9375 from cnoeabs.peaks (1.76, 2.60, 33.16 ppm; 3.95 A): 1 out of 8 assignments used, quality = 0.97: HB3 GLU 63 + HB VAL 58 OK 97 97 100 100 1.7-3.5 10233=86, 1.8/10700=74...(33) HG3 ARG 46 - HG3 MET 74 poor 16 52 40 77 4.2-7.1 ~9608=22, ~9607=21...(20) HB2 LYS 39 - HG3 MET 74 far 6 39 15 - 4.4-7.9 HB VAL 78 - HG3 MET 74 far 0 59 0 - 6.5-8.6 HB ILE 56 - HB VAL 58 far 0 100 0 - 6.5-7.8 HB3 LYS 82 - HB VAL 58 far 0 100 0 - 6.5-7.4 HB2 LYS 66 - HB VAL 58 far 0 100 0 - 7.0-8.3 HD2 ARG 81 - HB VAL 58 far 0 59 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 9376 from cnoeabs.peaks (1.48, 2.60, 33.16 ppm; 5.24 A): 4 out of 18 assignments used, quality = 0.99: HB3 LEU 64 + HB VAL 58 OK 96 96 100 100 4.3-4.8 ~10219=75, ~9388=64...(25) HD2 LYS 82 + HB VAL 58 OK 52 96 55 100 5.3-7.7 10941/2.1=61, ~10222=60...(13) HG13 ILE 76 + HG3 MET 74 OK 32 32 100 100 3.4-5.3 ~9664=62, ~10880=54...(26) HG3 LYS 39 + HG3 MET 74 OK 21 39 55 97 4.6-8.7 ~12072=54, 12073/3.4=54...(16) HG LEU 64 - HB VAL 58 poor 20 100 20 - 6.5-7.1 HG2 LYS 73 - HG3 MET 74 poor 15 58 25 - 6.2-7.7 HG2 LYS 66 - HB VAL 58 far 10 96 10 - 6.2-8.8 HB2 LEU 38 - HG3 MET 74 far 3 55 5 - 6.1-10.4 HG LEU 38 - HB VAL 58 far 0 96 0 - 6.9-10.3 HG3 LYS 66 - HB VAL 58 far 0 94 0 - 6.9-9.4 HG LEU 38 - HG3 MET 74 far 0 59 0 - 7.2-10.1 HG13 ILE 52 - HG3 MET 74 far 0 57 0 - 8.5-12.3 HG2 LYS 47 - HG3 MET 74 far 0 59 0 - 8.7-13.5 HB2 LEU 38 - HB VAL 58 far 0 92 0 - 8.8-10.8 HG LEU 57 - HB VAL 58 far 0 84 0 - 9.0-9.0 HG3 LYS 66 - HG3 MET 74 far 0 57 0 - 9.5-14.3 HD3 LYS 40 - HG3 MET 74 far 0 63 0 - 9.5-12.9 HD2 LYS 40 - HG3 MET 74 far 0 63 0 - 9.5-12.9 Violated in 0 structures by 0.00 A. Peak 9377 from cnoeabs.peaks (1.35, 2.60, 33.16 ppm; 5.33 A): 5 out of 11 assignments used, quality = 1.00: HG12 ILE 8 + HB VAL 58 OK 99 99 100 100 4.0-5.8 2.9/8301=76, 2.1/8307=73...(30) HB2 LYS 82 + HB VAL 58 OK 98 98 100 100 5.4-6.6 ~9759=75, ~10228=67...(17) QB ALA 67 + HB VAL 58 OK 91 94 100 96 5.0-6.4 9528/9324=43...(15) HB2 LEU 70 + HG3 MET 74 OK 58 61 100 95 4.5-6.1 10276/3.4=65, ~10282=41...(13) HG2 LYS 39 + HG3 MET 74 OK 28 63 45 99 3.9-9.1 12072/3.4=74, ~12073=63...(16) QB ALA 67 - HG3 MET 74 far 0 57 0 - 6.8-8.6 HG3 LYS 40 - HG3 MET 74 far 0 66 0 - 7.7-12.0 QB ALA 89 - HB VAL 58 far 0 96 0 - 7.8-8.5 HG3 LYS 68 - HG3 MET 74 far 0 65 0 - 9.1-11.6 HG3 LYS 68 - HB VAL 58 far 0 100 0 - 9.2-12.1 HG LEU 14 - HB VAL 58 far 0 100 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 9378 from cnoeabs.peaks (1.34, 0.68, 19.32 ppm; 3.68 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 82 + QG2 VAL 58 OK 100 100 100 100 2.5-3.6 3.0/10228=59...(27) QB ALA 67 + QG2 VAL 58 OK 86 100 95 90 4.4-5.3 2981/9388=45...(20) HG12 ILE 8 + QG2 VAL 58 OK 46 92 50 100 4.6-6.3 311/2.1=35, ~8301=25...(34) QB ALA 89 - QG2 VAL 58 far 0 100 0 - 6.3-7.2 HG3 LYS 68 - QG2 VAL 58 far 0 100 0 - 6.5-9.0 HG LEU 14 - QG2 VAL 58 far 0 100 0 - 8.2-9.1 HB2 LEU 70 - QG2 VAL 58 far 0 84 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 9379 from cnoeabs.peaks (1.47, 0.68, 19.32 ppm; 3.44 A): 3 out of 8 assignments used, quality = 1.00: HG LEU 64 + QG2 VAL 58 OK 97 99 100 98 4.1-4.3 3.0/10219=42...(23) HD2 LYS 82 + QG2 VAL 58 OK 96 99 100 97 2.7-4.7 2.9/10222=43...(19) HB3 LEU 64 + QG2 VAL 58 OK 90 91 100 100 1.8-2.2 1.8/10219=53...(35) HG2 LYS 66 - QG2 VAL 58 far 0 90 0 - 5.7-8.1 HG LEU 38 - QG2 VAL 58 far 0 99 0 - 6.6-9.6 HG3 LYS 66 - QG2 VAL 58 far 0 87 0 - 6.8-8.5 HG LEU 57 - QG2 VAL 58 far 0 73 0 - 6.9-7.3 HB2 LEU 38 - QG2 VAL 58 far 0 97 0 - 8.3-9.8 Violated in 0 structures by 0.00 A. Peak 9380 from cnoeabs.peaks (1.77, 0.68, 19.32 ppm; 3.93 A): 3 out of 7 assignments used, quality = 1.00: HB3 GLU 63 + QG2 VAL 58 OK 100 100 100 100 2.2-4.4 10233/2.1=66...(41) HB3 LYS 82 + QG2 VAL 58 OK 99 99 100 100 3.6-4.3 9759=76, 3.0/10228=66...(21) HB ILE 56 + QG2 VAL 58 OK 68 99 80 86 4.7-6.0 10225/2.1=36, ~9324=28...(17) HB2 LYS 66 - QG2 VAL 58 far 0 100 0 - 6.2-7.7 HB2 GLU 88 - QG2 VAL 58 far 0 65 0 - 7.6-8.8 HB VAL 78 - QG2 VAL 58 far 0 100 0 - 9.1-10.4 HB2 GLU 104 - QG2 VAL 58 far 0 65 0 - 9.3-17.9 Violated in 0 structures by 0.00 A. Peak 9381 from cnoeabs.peaks (2.18, 0.72, 21.78 ppm; 4.10 A): 1 out of 4 assignments used, quality = 0.96: HB2 GLU 63 + QG1 VAL 58 OK 96 96 100 100 1.9-3.3 10236/2.1=62, ~10233=49...(31) HG3 GLU 35 - QG1 VAL 58 far 0 96 0 - 7.4-11.0 HG2 GLU 104 - QG1 VAL 58 far 0 70 0 - 8.0-16.7 HG2 GLU 35 - QG1 VAL 58 far 0 96 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 9382 from cnoeabs.peaks (2.08, 0.72, 21.78 ppm; 4.75 A): 1 out of 8 assignments used, quality = 0.81: HB2 LEU 64 + QG1 VAL 58 OK 81 81 100 100 3.4-4.2 3.0/9385=83, ~9388=54...(31) HB3 LEU 38 - QG1 VAL 58 poor 13 98 40 34 5.4-7.6 10158/10518=10...(9) HB3 GLU 62 - QG1 VAL 58 far 0 100 0 - 6.9-7.8 HB VAL 83 - QG1 VAL 58 far 0 81 0 - 7.3-7.8 HB3 GLU 35 - QG1 VAL 58 far 0 100 0 - 7.7-9.7 HG3 GLU 37 - QG1 VAL 58 far 0 85 0 - 8.3-10.3 HB3 GLU 88 - QG1 VAL 58 far 0 100 0 - 8.6-9.1 HG3 GLU 104 - QG1 VAL 58 far 0 98 0 - 8.6-17.4 Violated in 0 structures by 0.00 A. Peak 9383 from cnoeabs.peaks (1.47, 0.72, 21.78 ppm; 4.09 A): 3 out of 12 assignments used, quality = 1.00: HG LEU 64 + QG1 VAL 58 OK 97 99 100 99 4.4-5.0 2827/9385=55...(22) HB3 LEU 64 + QG1 VAL 58 OK 91 91 100 100 2.6-3.4 3.0/9385=67, 1.8/9382=51...(33) HD2 LYS 82 + QG1 VAL 58 OK 24 99 25 97 4.8-7.2 ~10222=37, ~9760=36...(16) HG2 LYS 66 - QG1 VAL 58 far 9 90 10 - 4.6-6.9 HG LEU 38 - QG1 VAL 58 lone 8 99 45 19 4.4-7.4 3.0/9382=7, 12201/2670=7...(4) HG3 LYS 66 - QG1 VAL 58 far 4 87 5 - 5.3-7.1 HB2 LEU 38 - QG1 VAL 58 far 0 97 0 - 5.9-7.5 HG LEU 57 - QG1 VAL 58 far 0 73 0 - 6.6-6.9 HG3 LYS 33 - QG1 VAL 58 far 0 68 0 - 8.3-9.5 HG LEU 29 - QG1 VAL 58 far 0 70 0 - 8.5-10.3 HG3 LYS 39 - QG1 VAL 58 far 0 81 0 - 9.4-12.4 QB ALA 22 - QG1 VAL 58 far 0 70 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 9384 from cnoeabs.peaks (1.32, 0.72, 21.78 ppm; 3.31 A): 3 out of 8 assignments used, quality = 0.96: QB ALA 67 + QG1 VAL 58 OK 88 98 100 90 2.8-3.7 2981/9385=36, 9527=22...(28) HG12 ILE 8 + QG1 VAL 58 OK 61 61 100 99 1.9-3.7 2.9/10224=37, 1.8/319=33...(35) HB2 LYS 82 + QG1 VAL 58 OK 22 94 25 96 4.1-5.7 ~9759=30, 3.0/9386=28...(27) HG3 LYS 68 - QG1 VAL 58 far 0 87 0 - 6.0-8.6 QB ALA 89 - QG1 VAL 58 far 0 97 0 - 6.4-7.1 HG LEU 14 - QG1 VAL 58 far 0 85 0 - 8.0-9.0 HB3 LEU 42 - QG1 VAL 58 far 0 90 0 - 9.8-10.9 HG2 ARG 30 - QG1 VAL 58 far 0 75 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 9385 from cnoeabs.peaks (3.75, 0.72, 21.78 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 64 + QG1 VAL 58 OK 100 100 100 100 1.8-2.4 9388/2.1=68, 2806=36...(30) Violated in 0 structures by 0.00 A. Peak 9386 from cnoeabs.peaks (4.69, 0.72, 21.78 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.98: HA LYS 82 + QG1 VAL 58 OK 98 98 100 100 3.4-4.3 10228/2.1=81...(26) HA LEU 55 - QG1 VAL 58 far 0 93 0 - 7.3-7.8 HA ARG 79 - QG1 VAL 58 far 0 88 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 9387 from cnoeabs.peaks (4.36, 0.68, 19.32 ppm; 4.65 A): 2 out of 2 assignments used, quality = 1.00: HA ASP 61 + QG2 VAL 58 OK 100 100 100 100 3.5-4.0 9449/10219=62, 9448=52...(20) HA ARG 81 + QG2 VAL 58 OK 93 100 100 93 4.4-5.3 7324/10711=63...(15) Violated in 0 structures by 0.00 A. Peak 9388 from cnoeabs.peaks (3.74, 0.68, 19.32 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.97: HA LEU 64 + QG2 VAL 58 OK 97 97 100 100 2.2-2.9 9475=73, 9385/2.1=63...(31) Violated in 0 structures by 0.00 A. Peak 9389 from cnoeabs.peaks (3.90, 2.60, 33.16 ppm; 5.74 A): 3 out of 10 assignments used, quality = 1.00: HA GLU 63 + HB VAL 58 OK 99 99 100 100 4.4-4.8 3.0/10700=95...(27) HB3 SER 9 + HB VAL 58 OK 66 92 90 80 4.7-7.5 8349/6959=32...(7) HA GLU 43 + HG3 MET 74 OK 48 52 100 92 3.3-6.3 ~9585=57, ~12303=37...(16) HA LEU 38 - HG3 MET 74 far 2 41 5 - 7.2-9.7 HA TYR 41 - HG3 MET 74 far 0 54 0 - 7.7-10.3 HA GLU 44 - HG3 MET 74 far 0 42 0 - 7.9-11.0 HA GLU 35 - HG3 MET 74 far 0 56 0 - 8.8-11.7 HA GLU 35 - HB VAL 58 far 0 93 0 - 9.1-10.6 HA LEU 38 - HB VAL 58 far 0 73 0 - 9.3-11.1 HA ALA 89 - HB VAL 58 far 0 100 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 9390 from cnoeabs.peaks (4.02, 5.25, 58.24 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.94: HB3 SER 59 + HA VAL 58 OK 94 95 100 100 4.1-5.4 4.0/6958=91, 4.6/9422=73...(11) Violated in 0 structures by 0.00 A. Peak 9391 from cnoeabs.peaks (8.37, 0.68, 19.32 ppm; 5.31 A): 2 out of 2 assignments used, quality = 1.00: H GLU 63 + QG2 VAL 58 OK 99 99 100 100 3.6-4.1 7020/10220=75...(26) H GLU 62 + QG2 VAL 58 OK 73 75 100 97 4.5-5.1 3.6/9448=43...(18) Violated in 0 structures by 0.00 A. Peak 9392 from cnoeabs.peaks (7.71, 0.68, 19.32 ppm; 3.44 A): 2 out of 3 assignments used, quality = 1.00: H LEU 64 + QG2 VAL 58 OK 99 100 100 99 1.8-2.2 3.0/9388=51, 9467=47...(30) H ASN 60 + QG2 VAL 58 OK 92 93 100 100 1.9-2.7 9410/2.1=56, 9422/3.2=36...(28) H SER 85 - QG2 VAL 58 far 0 88 0 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 9393 from cnoeabs.peaks (7.93, 0.68, 19.32 ppm; 5.59 A): 1 out of 3 assignments used, quality = 1.00: H ASP 65 + QG2 VAL 58 OK 100 100 100 100 4.0-4.3 3.6/9388=91...(21) H GLU 69 - QG2 VAL 58 far 0 87 0 - 7.8-8.5 H LEU 70 - QG2 VAL 58 far 0 70 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 9394 from cnoeabs.peaks (8.36, 2.60, 33.16 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.90: H GLU 63 + HB VAL 58 OK 90 90 100 100 4.1-4.5 4.0/10700=90...(19) Violated in 0 structures by 0.00 A. Peak 9404 from cnoeabs.peaks (4.44, 4.16, 65.60 ppm; 5.46 A): 2 out of 2 assignments used, quality = 0.95: HA SER 9 + HB2 SER 59 OK 91 98 100 93 2.2-5.0 9405/1.8=61...(6) HB THR 84 + HB2 SER 59 OK 43 100 60 72 4.4-8.3 ~9843=53, 9405/1.8=30 Violated in 0 structures by 0.00 A. Peak 9405 from cnoeabs.peaks (4.44, 4.04, 65.60 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.94: HA SER 9 + HB3 SER 59 OK 90 100 100 90 2.9-4.8 3.0/12230=52...(9) HB THR 84 + HB3 SER 59 OK 44 100 75 59 4.4-7.4 ~9843=43, 9404/1.8=22 Violated in 0 structures by 0.00 A. Peak 9406 from cnoeabs.peaks (0.96, 4.04, 65.60 ppm; 5.82 A): 1 out of 3 assignments used, quality = 1.00: QG2 VAL 83 + HB3 SER 59 OK 100 100 100 100 3.4-4.6 9828=94, 9784/3.0=80...(12) QG2 THR 80 - HB3 SER 59 far 0 93 0 - 8.5-11.1 HB2 ARG 81 - HB3 SER 59 far 0 79 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 9407 from cnoeabs.peaks (0.96, 4.16, 65.60 ppm; 6.06 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 83 + HB2 SER 59 OK 99 99 100 100 4.5-5.1 9828/1.8=94, 9784/3.0=84...(9) QG2 THR 80 - HB2 SER 59 far 0 85 0 - 8.6-10.8 HB2 ARG 81 - HB2 SER 59 far 0 88 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9408 from cnoeabs.peaks (0.69, 4.16, 65.60 ppm; 5.11 A): 4 out of 6 assignments used, quality = 1.00: QG2 VAL 58 + HB2 SER 59 OK 96 99 100 97 4.5-5.3 4.2/6963=71, ~9390=43...(11) QD1 LEU 14 + HB2 SER 59 OK 68 99 100 69 4.7-6.0 10402/9407=25...(7) QD2 LEU 14 + HB2 SER 59 OK 63 88 100 72 3.8-6.2 10403/9407=31...(8) QG1 VAL 58 + HB2 SER 59 OK 43 68 65 97 5.4-6.8 4.2/6963=71, ~9390=43...(12) QD1 ILE 8 - HB2 SER 59 poor 17 87 20 - 6.4-8.4 QD1 LEU 29 - HB2 SER 59 far 0 73 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 9409 from cnoeabs.peaks (0.70, 4.04, 65.60 ppm; 4.94 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 14 + HB3 SER 59 OK 86 100 100 86 3.8-5.2 10403/9828=51...(11) QG2 VAL 58 + HB3 SER 59 OK 79 81 100 98 4.5-5.5 4.2/6964=67, 3.2/9390=50...(10) QG1 VAL 58 + HB3 SER 59 OK 74 95 80 97 5.6-6.6 4.2/6964=67, 3.2/9390=50...(11) QD1 LEU 14 + HB3 SER 59 OK 62 84 100 74 3.7-5.4 10726/3.0=26...(8) QD1 ILE 8 - HB3 SER 59 far 5 100 5 - 6.2-8.4 QD1 LEU 64 - HB3 SER 59 far 0 61 0 - 8.2-9.5 QD1 ILE 56 - HB3 SER 59 far 0 100 0 - 9.5-12.0 QG1 VAL 5 - HB3 SER 59 far 0 88 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 9423 from cnoeabs.peaks (2.52, 2.89, 40.34 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.99: HG3 GLU 63 + HB2 ASN 60 OK 99 100 100 99 2.2-3.5 1.8/10234=75...(8) HB2 ASP 61 + HB2 ASN 60 OK 36 100 40 90 5.5-6.8 6997/2701=57...(5) Violated in 0 structures by 0.00 A. Peak 9424 from cnoeabs.peaks (2.50, 3.06, 40.34 ppm; 4.70 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 63 + HB3 ASN 60 OK 97 98 100 99 3.8-5.1 ~10234=66, 9425/3.5=62...(7) HB2 ASP 61 + HB3 ASN 60 OK 93 100 100 93 4.2-5.8 6997/6993=71...(5) Violated in 0 structures by 0.00 A. Peak 9437 from cnoeabs.peaks (8.40, 2.89, 40.34 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: H GLU 62 + HB2 ASN 60 OK 100 100 100 100 2.8-4.1 9453=99, 9454/1.8=92...(12) H GLU 63 + HB2 ASN 60 OK 92 93 100 99 2.4-3.0 4.5/9453=53...(13) Violated in 0 structures by 0.00 A. Peak 9438 from cnoeabs.peaks (8.40, 3.06, 40.34 ppm; 4.64 A): 2 out of 2 assignments used, quality = 1.00: H GLU 62 + HB3 ASN 60 OK 100 100 100 100 2.4-2.9 9454=100, 9453/1.8=83...(8) H GLU 63 + HB3 ASN 60 OK 91 94 100 97 2.9-4.1 4.5/9454=53, 9455/1.8=39...(10) Violated in 0 structures by 0.00 A. Peak 9441 from cnoeabs.peaks (7.72, 4.37, 57.35 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: H LEU 64 + HA ASP 61 OK 100 100 100 100 3.4-3.9 9470=100, 3.9/9449=53...(22) H ASN 60 + HA ASP 61 OK 88 99 100 89 4.9-5.1 ~6991=29, 2810/9449=25...(12) Violated in 0 structures by 0.00 A. Peak 9445 from cnoeabs.peaks (1.47, 4.37, 57.35 ppm; 3.56 A): 3 out of 5 assignments used, quality = 1.00: HD2 LYS 82 + HA ASP 61 OK 94 98 100 97 2.2-4.8 9766=39, 1.8/9767=34...(23) HB3 LEU 64 + HA ASP 61 OK 93 94 100 99 3.4-4.7 1.8/9449=75, 3.1/9447=40...(28) HG LEU 64 + HA ASP 61 OK 92 99 95 98 4.3-5.3 3.0/9449=56, 2.1/9447=48...(25) HG2 LYS 66 - HA ASP 61 far 0 93 0 - 7.1-10.0 HG3 LYS 66 - HA ASP 61 far 0 91 0 - 8.2-10.6 Violated in 4 structures by 0.03 A. Peak 9446 from cnoeabs.peaks (1.33, 4.37, 57.35 ppm; 5.29 A): 1 out of 4 assignments used, quality = 0.99: HB2 LYS 82 + HA ASP 61 OK 99 99 100 100 3.5-5.0 3.5/9766=70...(22) HG3 LYS 68 - HA ASP 61 far 0 96 0 - 7.3-10.7 QB ALA 67 - HA ASP 61 far 0 100 0 - 7.7-8.6 HG12 ILE 8 - HA ASP 61 far 0 79 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 9447 from cnoeabs.peaks (0.84, 4.37, 57.35 ppm; 4.37 A): 1 out of 5 assignments used, quality = 0.95: QD2 LEU 64 + HA ASP 61 OK 95 95 100 100 1.9-2.8 3.1/9449=76, 4.5/9470=50...(25) QD2 LEU 38 - HA ASP 61 far 0 88 0 - 8.8-10.9 QD1 LEU 57 - HA ASP 61 far 0 94 0 - 8.8-9.7 QD1 LEU 38 - HA ASP 61 far 0 96 0 - 9.1-11.7 QD2 LEU 103 - HA ASP 61 far 0 93 0 - 9.7-22.7 Violated in 0 structures by 0.00 A. Peak 9448 from cnoeabs.peaks (0.68, 4.37, 57.35 ppm; 4.96 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 58 + HA ASP 61 OK 99 100 100 100 3.5-4.0 10219/9449=68, 9387=51...(19) QG1 VAL 58 + HA ASP 61 OK 58 61 100 94 5.5-6.0 2.1/9387=43...(15) QD1 ILE 8 - HA ASP 61 far 0 82 0 - 7.3-8.2 QD1 ILE 56 - HA ASP 61 far 0 85 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9449 from cnoeabs.peaks (2.11, 4.37, 57.35 ppm; 3.48 A): 1 out of 6 assignments used, quality = 0.98: HB2 LEU 64 + HA ASP 61 OK 98 100 100 98 2.3-3.1 9472=48, 3.1/9447=38...(26) HB3 GLU 62 - HA ASP 61 far 0 88 0 - 5.5-6.6 HG2 GLU 104 - HA ASP 61 far 0 65 0 - 8.8-21.2 HG2 GLU 69 - HA ASP 61 far 0 96 0 - 9.0-13.0 HG3 GLU 104 - HA ASP 61 far 0 97 0 - 9.7-22.1 HB VAL 83 - HA ASP 61 far 0 100 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 9450 from cnoeabs.peaks (2.09, 2.73, 40.38 ppm; 4.94 A): 5 out of 10 assignments used, quality = 1.00: HB2 LEU 64 + HB3 ASP 61 OK 92 93 100 100 4.5-5.4 9449/3.0=78, ~9447=39...(22) HB3 GLU 62 + HB2 ASP 65 OK 73 76 100 96 5.0-6.4 ~2864=59, ~2733=53...(8) HB2 LEU 64 + HB2 ASP 65 OK 66 66 100 100 4.2-5.2 7049/7055=80, ~9503=40...(30) HB3 GLU 62 + HB3 ASP 61 OK 46 100 50 91 4.9-7.4 7007/4.4=76, ~10743=26...(6) HG2 GLU 69 + HB2 ASP 65 OK 22 47 95 49 3.8-6.8 10763/1.8=15...(8) HB2 GLU 69 - HB2 ASP 65 poor 9 47 20 - 4.3-8.1 HB3 GLU 69 - HB2 ASP 65 far 2 47 5 - 4.9-8.8 HB3 GLU 35 - HB2 ASP 65 far 0 71 0 - 8.2-11.6 HG2 GLU 69 - HB3 ASP 61 far 0 71 0 - 9.1-14.6 HB3 LEU 38 - HB2 ASP 65 far 0 64 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 9451 from cnoeabs.peaks (1.47, 2.73, 40.38 ppm; 5.32 A): 7 out of 11 assignments used, quality = 1.00: HD2 LYS 82 + HB3 ASP 61 OK 97 98 100 100 2.8-6.6 9766/3.0=74, ~9767=54...(17) HG LEU 64 + HB3 ASP 61 OK 84 99 85 99 5.6-7.0 ~9447=58, ~9449=54...(17) HB3 LEU 64 + HB3 ASP 61 OK 80 94 85 100 5.7-7.0 ~9449=72, ~9447=46...(23) HG LEU 64 + HB2 ASP 65 OK 74 74 100 100 3.3-5.4 2833/7055=76, ~9503=59...(21) HB3 LEU 64 + HB2 ASP 65 OK 67 67 100 100 5.7-6.7 2825/7055=74, ~9503=47...(27) HG2 LYS 66 + HB2 ASP 65 OK 56 66 95 89 3.8-7.9 4.8/7066=68...(10) HG3 LYS 66 + HB2 ASP 65 OK 36 64 65 88 5.5-8.0 4.8/7066=68...(9) HD2 LYS 82 - HB2 ASP 65 poor 14 71 20 - 5.9-9.0 HG2 LYS 66 - HB3 ASP 61 far 0 93 0 - 7.7-11.6 HG LEU 38 - HB2 ASP 65 far 0 71 0 - 8.4-12.8 HG3 LYS 66 - HB3 ASP 61 far 0 91 0 - 8.5-12.4 Violated in 0 structures by 0.00 A. Peak 9452 from cnoeabs.peaks (0.86, 2.73, 40.38 ppm; 5.51 A): 2 out of 6 assignments used, quality = 1.00: QD2 LEU 64 + HB3 ASP 61 OK 100 100 100 100 3.2-4.8 9447/3.0=84, ~9449=56...(20) QD2 LEU 64 + HB2 ASP 65 OK 76 76 100 100 2.8-5.5 9503/3.0=89...(22) QD2 LEU 38 - HB2 ASP 65 far 2 44 5 - 6.5-9.9 QD1 LEU 38 - HB2 ASP 65 far 0 76 0 - 7.4-9.7 QD1 LEU 103 - HB2 ASP 65 far 0 75 0 - 8.8-22.0 QD2 LEU 103 - HB2 ASP 65 far 0 50 0 - 9.1-22.7 Violated in 0 structures by 0.00 A. Peak 9459 from cnoeabs.peaks (1.48, 3.91, 58.27 ppm; 4.03 A): 2 out of 9 assignments used, quality = 1.00: HG2 LYS 66 + HA GLU 63 OK 94 96 100 98 2.0-4.3 3.7/10240=47...(25) HG3 LYS 66 + HA GLU 63 OK 92 94 100 98 2.6-5.2 3.7/10240=47...(22) HG LEU 38 - HA GLU 63 poor 19 96 20 - 4.5-8.2 HB3 LEU 64 - HA GLU 63 far 0 96 0 - 6.0-6.3 HB2 LEU 38 - HA GLU 63 far 0 92 0 - 6.1-8.3 HG LEU 64 - HA GLU 63 far 0 100 0 - 6.6-7.1 HD2 LYS 82 - HA GLU 63 far 0 96 0 - 7.2-10.2 HG3 LYS 33 - HA GLU 63 far 0 79 0 - 9.6-11.0 HG3 LYS 39 - HA GLU 63 far 0 70 0 - 9.8-14.0 Violated in 1 structures by 0.01 A. Peak 9460 from cnoeabs.peaks (0.70, 3.91, 58.27 ppm; 4.16 A): 3 out of 9 assignments used, quality = 1.00: QD1 ILE 8 + HA GLU 63 OK 95 98 100 97 3.2-4.9 8308/3.0=45...(24) QG2 VAL 58 + HA GLU 63 OK 89 90 100 100 4.3-4.8 10220/3.0=50, ~10700=38...(31) QG1 VAL 58 + HA GLU 63 OK 88 88 100 100 3.4-3.8 9381/3.0=52, ~10700=38...(35) QD1 ILE 56 - HA GLU 63 far 0 99 0 - 6.4-9.3 QD1 LEU 42 - HA GLU 63 far 0 99 0 - 8.0-9.6 HG13 ILE 56 - HA GLU 63 far 0 95 0 - 8.2-10.6 QD2 LEU 6 - HA GLU 63 far 0 99 0 - 8.8-11.3 QG2 VAL 78 - HA GLU 63 far 0 87 0 - 9.1-10.4 QD2 LEU 14 - HA GLU 63 far 0 99 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 9461 from cnoeabs.peaks (0.69, 2.20, 29.93 ppm; 3.98 A): 3 out of 11 assignments used, quality = 1.00: QG2 VAL 58 + HB2 GLU 63 OK 99 99 100 100 3.2-4.3 10220=75, 2.1/10700=69...(31) QD1 ILE 8 + HB2 GLU 63 OK 85 87 100 98 1.8-3.7 8308=40, 3.0/10744=36...(22) QG1 VAL 58 + HB2 GLU 63 OK 67 68 100 100 1.9-3.3 2.1/10700=69...(31) QD1 ILE 56 - HB2 GLU 63 far 4 90 5 - 5.4-8.8 QD2 LEU 14 - HB2 GLU 63 far 0 88 0 - 7.2-8.8 HG13 ILE 56 - HB2 GLU 63 far 0 79 0 - 7.3-9.5 QD1 LEU 42 - HB2 GLU 63 far 0 100 0 - 8.0-9.9 QD2 LEU 6 - HB2 GLU 63 far 0 100 0 - 8.1-10.4 QD1 LEU 14 - HB2 GLU 63 far 0 99 0 - 8.6-9.6 QG2 VAL 78 - HB2 GLU 63 far 0 65 0 - 9.1-10.7 QD1 LEU 29 - HB2 GLU 63 far 0 73 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 9462 from cnoeabs.peaks (0.69, 1.78, 29.93 ppm; 3.75 A): 3 out of 12 assignments used, quality = 1.00: QG2 VAL 58 + HB3 GLU 63 OK 96 96 100 100 2.2-4.4 2.1/10233=60...(41) QD1 ILE 8 + HB3 GLU 63 OK 91 94 100 97 2.4-4.0 8308/1.8=37...(28) QG1 VAL 58 + HB3 GLU 63 OK 79 79 100 100 1.9-3.4 2.1/10233=60...(38) QD1 ILE 56 - HB3 GLU 63 far 0 96 0 - 6.0-8.9 QD2 LEU 14 - HB3 GLU 63 far 0 95 0 - 7.2-8.9 HG13 ILE 56 - HB3 GLU 63 far 0 88 0 - 8.0-9.7 QD1 LEU 14 - HB3 GLU 63 far 0 97 0 - 8.1-9.5 QD1 LEU 42 - HB3 GLU 63 far 0 100 0 - 9.0-10.6 QD2 LEU 6 - HB3 GLU 63 far 0 100 0 - 9.0-10.5 QG2 VAL 78 - HB3 GLU 63 far 0 77 0 - 9.1-10.5 QD1 LEU 29 - HB3 GLU 63 far 0 61 0 - 9.4-11.7 QG1 VAL 5 - HB3 GLU 63 far 0 68 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 9463 from cnoeabs.peaks (0.72, 2.29, 36.00 ppm; 4.28 A): 3 out of 23 assignments used, quality = 1.00: QG1 VAL 58 + HG2 GLU 63 OK 100 100 100 100 3.7-4.6 9381/3.0=65...(25) QD1 ILE 8 + HG2 GLU 63 OK 85 98 95 92 4.5-5.8 8308/3.0=47, ~10744=22...(16) QD1 ILE 15 + HG3 GLU 16 OK 41 63 95 68 5.0-6.6 684/6240=28, 5.0/6253=18...(9) QD1 LEU 42 - HG3 GLU 43 poor 16 24 100 70 4.3-4.8 6690/6696=28...(10) QD1 LEU 64 - HG2 GLU 63 far 0 93 0 - 5.8-7.7 HG13 ILE 15 - HG3 GLU 16 far 0 73 0 - 6.1-8.3 QD2 LEU 14 - HG3 GLU 16 far 0 97 0 - 6.1-7.4 QG1 VAL 78 - HG3 GLU 43 far 0 33 0 - 6.2-7.8 QG2 ILE 93 - HG2 GLU 23 far 0 39 0 - 6.3-7.7 QD2 LEU 27 - HG2 GLU 23 far 0 55 0 - 6.7-8.8 QG1 VAL 5 - HG2 GLU 23 far 0 56 0 - 7.0-9.4 QD1 ILE 52 - HG3 GLU 43 far 0 29 0 - 7.3-8.9 QD2 LEU 6 - HG2 GLU 23 far 0 30 0 - 7.6-11.7 QD1 ILE 56 - HG2 GLU 63 far 0 96 0 - 7.9-10.8 QG2 VAL 78 - HG3 GLU 43 far 0 42 0 - 8.0-9.4 QD2 LEU 6 - HG3 GLU 43 far 0 22 0 - 8.0-9.5 HG13 ILE 93 - HG2 GLU 23 far 0 46 0 - 8.1-11.9 QD2 LEU 14 - HG2 GLU 63 far 0 97 0 - 8.4-9.5 QD1 ILE 56 - HG3 GLU 43 far 0 38 0 - 8.6-10.3 QD1 ILE 15 - HG2 GLU 63 far 0 63 0 - 8.9-9.9 QG1 VAL 54 - HG2 GLU 23 far 0 27 0 - 9.6-12.8 HG13 ILE 56 - HG2 GLU 63 far 0 99 0 - 9.9-12.1 QG2 ILE 93 - HG3 GLU 16 far 0 80 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 9464 from cnoeabs.peaks (6.87, 1.78, 29.93 ppm; 5.84 A): 1 out of 2 assignments used, quality = 1.00: HD21 ASN 60 + HB3 GLU 63 OK 100 100 100 100 3.3-5.1 9425/3.0=92, 9426/3.0=88...(10) QE TYR 41 - HB3 GLU 63 far 0 94 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 9465 from cnoeabs.peaks (6.87, 2.29, 36.00 ppm; 5.60 A): 1 out of 2 assignments used, quality = 1.00: HD21 ASN 60 + HG2 GLU 63 OK 100 100 100 100 2.6-4.3 9426=99, 9425/1.8=99...(14) QE TYR 41 - HG3 GLU 43 far 0 38 0 - 8.7-9.8 Violated in 0 structures by 0.00 A. Peak 9466 from cnoeabs.peaks (6.88, 2.52, 36.00 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: HD21 ASN 60 + HG3 GLU 63 OK 100 100 100 100 1.9-3.5 9425=99, 9426/1.8=89...(12) Violated in 0 structures by 0.00 A. Peak 9471 from cnoeabs.peaks (4.33, 3.75, 58.94 ppm; 5.26 A): 3 out of 3 assignments used, quality = 0.99: HA ASP 65 + HA LEU 64 OK 91 91 100 100 4.7-4.8 7100/7099=72...(28) HA ASP 61 + HA LEU 64 OK 75 75 100 100 5.2-5.8 9470/3.0=70, 9449/3.0=64...(22) HA ARG 81 + HA LEU 64 OK 73 81 100 90 5.5-6.5 3579/2843=33...(11) Violated in 0 structures by 0.00 A. Peak 9472 from cnoeabs.peaks (4.35, 2.11, 41.70 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.99: HA ASP 61 + HB2 LEU 64 OK 98 98 100 100 2.3-3.1 9449=97, 9447/3.1=44...(28) HA ASP 65 + HB2 LEU 64 OK 59 59 100 99 4.5-5.1 3.0/7049=68, ~2825=33...(28) HA ARG 81 - HB2 LEU 64 far 0 99 0 - 5.7-6.7 Violated in 0 structures by 0.00 A. Peak 9473 from cnoeabs.peaks (1.35, 2.11, 41.70 ppm; 5.18 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 82 + HB2 LEU 64 OK 100 100 100 100 2.3-4.4 10252/3.1=90...(27) QB ALA 67 + HB2 LEU 64 OK 97 98 100 100 5.7-6.2 2981/3.0=88...(17) HG3 LYS 68 - HB2 LEU 64 far 15 100 15 - 5.6-9.0 HG12 ILE 8 - HB2 LEU 64 far 0 98 0 - 7.4-9.6 QB ALA 89 - HB2 LEU 64 far 0 99 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 9474 from cnoeabs.peaks (0.69, 2.11, 41.70 ppm; 3.95 A): 2 out of 10 assignments used, quality = 1.00: QG2 VAL 58 + HB2 LEU 64 OK 99 99 100 100 1.9-2.9 10219=82, 9388/3.0=64...(27) QG1 VAL 58 + HB2 LEU 64 OK 67 68 100 100 3.4-4.2 2.1/10219=64...(27) QD1 ILE 8 - HB2 LEU 64 far 4 87 5 - 5.4-6.5 QD1 ILE 56 - HB2 LEU 64 far 0 90 0 - 7.3-9.6 HG13 ILE 56 - HB2 LEU 64 far 0 79 0 - 7.9-10.5 QG2 VAL 78 - HB2 LEU 64 far 0 65 0 - 8.8-9.3 QD2 LEU 14 - HB2 LEU 64 far 0 88 0 - 8.9-10.8 QD1 LEU 14 - HB2 LEU 64 far 0 99 0 - 9.3-10.7 QD1 LEU 42 - HB2 LEU 64 far 0 100 0 - 9.9-11.1 QD2 LEU 6 - HB2 LEU 64 far 0 100 0 - 10.0-12.6 Violated in 0 structures by 0.00 A. Peak 9475 from cnoeabs.peaks (0.67, 3.75, 58.94 ppm; 3.28 A): 2 out of 9 assignments used, quality = 1.00: QG2 VAL 58 + HA LEU 64 OK 100 100 100 100 2.2-2.9 9388=72, 2.1/9385=55...(30) QD1 ILE 8 + HA LEU 64 OK 31 65 100 47 3.5-4.6 2670/9385=19...(10) QD1 ILE 56 - HA LEU 64 far 0 70 0 - 5.1-7.1 QD1 LEU 42 - HA LEU 64 far 0 96 0 - 7.6-8.9 QD2 LEU 6 - HA LEU 64 far 0 98 0 - 7.7-10.1 QD2 LEU 14 - HA LEU 64 far 0 68 0 - 8.7-10.0 QD1 LEU 14 - HA LEU 64 far 0 100 0 - 9.1-10.1 QD1 LEU 29 - HA LEU 64 far 0 92 0 - 9.2-12.3 QD2 LEU 29 - HA LEU 64 far 0 75 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 9476 from cnoeabs.peaks (0.97, 3.75, 58.94 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 80 + HA LEU 64 OK 99 100 100 99 1.9-3.4 10762/2843=63...(18) QG2 VAL 83 - HA LEU 64 far 0 99 0 - 6.6-7.3 QG1 VAL 83 - HA LEU 64 far 0 63 0 - 7.4-7.9 HG LEU 55 - HA LEU 64 far 0 99 0 - 8.5-9.3 Violated in 0 structures by 0.00 A. Peak 9477 from cnoeabs.peaks (0.69, 1.49, 41.70 ppm; 3.61 A): 2 out of 11 assignments used, quality = 1.00: QG2 VAL 58 + HB3 LEU 64 OK 99 99 100 100 1.8-2.2 10219/1.8=58...(35) QG1 VAL 58 + HB3 LEU 64 OK 67 68 100 99 2.6-3.4 ~10219=38, 9385/3.0=31...(30) QD1 ILE 8 - HB3 LEU 64 far 4 87 5 - 4.9-6.2 QD1 ILE 56 - HB3 LEU 64 far 0 90 0 - 6.0-8.6 HG13 ILE 56 - HB3 LEU 64 far 0 79 0 - 6.5-9.2 QG2 VAL 78 - HB3 LEU 64 far 0 65 0 - 7.6-8.8 QD1 LEU 14 - HB3 LEU 64 far 0 99 0 - 8.4-9.4 QD2 LEU 14 - HB3 LEU 64 far 0 88 0 - 8.6-9.7 QD1 LEU 42 - HB3 LEU 64 far 0 100 0 - 8.9-10.8 QD2 LEU 6 - HB3 LEU 64 far 0 100 0 - 9.0-11.7 QD1 LEU 29 - HB3 LEU 64 far 0 73 0 - 9.6-13.1 Violated in 0 structures by 0.00 A. Peak 9478 from cnoeabs.peaks (2.72, 0.86, 25.46 ppm; 5.01 A): 3 out of 5 assignments used, quality = 1.00: HB3 ASP 61 + QD2 LEU 64 OK 99 99 100 100 3.2-4.8 3.0/9447=72, ~9449=46...(20) HB2 ASP 65 + QD2 LEU 64 OK 99 99 100 100 2.8-5.5 7055/7052=85...(22) HE2 LYS 82 + QD2 LEU 64 OK 97 97 100 100 1.9-5.2 12331=79, 3.0/10940=70...(19) HE2 LYS 82 - QD1 LEU 103 far 0 55 0 - 8.4-19.9 HB2 ASP 65 - QD1 LEU 103 far 0 57 0 - 8.8-22.0 Violated in 0 structures by 0.00 A. Peak 9479 from cnoeabs.peaks (2.88, 0.86, 25.46 ppm; 3.92 A): 3 out of 10 assignments used, quality = 0.93: HE3 LYS 82 + QD2 LEU 64 OK 79 85 95 97 1.9-5.6 3.0/10940=43...(16) HE3 LYS 68 + QD2 LEU 64 OK 46 81 60 96 3.6-6.7 3.0/10242=43...(25) HE2 LYS 68 + QD2 LEU 64 OK 41 77 55 96 3.6-6.8 3.0/10242=43...(24) HE3 LYS 68 - QD1 LEU 103 poor 8 41 20 - 2.5-17.1 HE2 LYS 68 - QD1 LEU 103 poor 8 39 20 - 2.8-15.7 HB2 ASN 60 - QD2 LEU 64 far 0 98 0 - 5.7-6.7 HE3 LYS 66 - QD2 LEU 64 far 0 91 0 - 6.8-10.8 HE2 LYS 66 - QD2 LEU 64 far 0 96 0 - 6.9-10.4 HE3 LYS 94 - QD1 LEU 103 far 0 38 0 - 7.9-18.5 HE3 LYS 82 - QD1 LEU 103 far 0 45 0 - 9.0-19.1 Violated in 8 structures by 0.17 A. Peak 9480 from cnoeabs.peaks (4.35, 0.86, 25.46 ppm; 3.81 A): 3 out of 6 assignments used, quality = 1.00: HA ASP 61 + QD2 LEU 64 OK 97 98 100 100 1.9-2.8 9447=59, 9449/3.1=59...(25) HA ARG 81 + QD2 LEU 64 OK 96 99 100 97 3.6-5.2 3579/2.1=37...(19) HA ASP 65 + QD2 LEU 64 OK 59 59 100 99 2.9-4.3 3.0/7052=57, 9503=35...(27) HA ARG 81 - QD1 LEU 103 poor 20 57 35 - 4.7-14.9 HA SER 102 - QD1 LEU 103 poor 19 41 45 - 2.7-6.1 HA ASP 65 - QD1 LEU 103 far 0 29 0 - 6.6-20.4 Violated in 0 structures by 0.00 A. Peak 9481 from cnoeabs.peaks (4.36, 1.49, 41.70 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: HA ASP 61 + HB3 LEU 64 OK 99 100 100 100 3.4-4.7 9449/1.8=85, 9447/3.1=49...(29) HA ARG 81 + HB3 LEU 64 OK 89 100 100 89 4.3-5.4 3579/3.1=31, 9480/3.1=22...(18) Violated in 7 structures by 0.05 A. Peak 9482 from cnoeabs.peaks (4.35, 1.48, 27.00 ppm; 4.47 A): 3 out of 4 assignments used, quality = 1.00: HA ASP 61 + HG LEU 64 OK 97 98 100 100 4.3-5.3 9449/3.0=78, 9447/2.1=73...(25) HA ARG 81 + HG LEU 64 OK 62 99 65 97 5.0-6.2 3579/2.1=45, 9481/3.0=34...(17) HA ASP 65 + HG LEU 64 OK 59 59 100 100 2.8-3.3 3.0/2833=65, ~7052=46...(31) HA ASP 65 - HG LEU 38 far 0 41 0 - 7.3-11.2 Violated in 0 structures by 0.00 A. Peak 9483 from cnoeabs.peaks (4.35, 0.74, 24.36 ppm; 3.94 A): 3 out of 4 assignments used, quality = 1.00: HA ARG 81 + QD1 LEU 64 OK 95 96 100 100 2.1-3.2 7324/7328=56, 3579=47...(24) HA ASP 61 + QD1 LEU 64 OK 92 93 100 99 4.2-5.0 9449/3.1=58, 9447/2.1=55...(27) HA ASP 65 + QD1 LEU 64 OK 71 71 100 100 3.8-4.6 9503/2.1=40, ~7052=35...(37) HA SER 102 - QD1 LEU 64 far 0 70 0 - 9.6-15.7 Violated in 0 structures by 0.00 A. Peak 9484 from cnoeabs.peaks (2.90, 0.74, 24.36 ppm; 4.56 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 68 + QD1 LEU 64 OK 99 100 100 99 3.0-5.8 3.0/10264=42, 10265=42...(31) HE2 LYS 68 + QD1 LEU 64 OK 99 99 100 99 3.1-5.9 3.0/10264=42, 10265=42...(30) HB2 ASN 60 - QD1 LEU 64 far 0 99 0 - 7.0-8.0 HE3 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.0-10.4 HE2 LYS 66 - QD1 LEU 64 far 0 100 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 9485 from cnoeabs.peaks (2.88, 1.48, 27.00 ppm; 4.75 A): 3 out of 12 assignments used, quality = 0.95: HE3 LYS 68 + HG LEU 64 OK 74 81 95 96 3.2-6.5 ~10242=36, 9484/2.1=31...(20) HE2 LYS 68 + HG LEU 64 OK 67 77 90 96 3.4-6.7 ~10242=36, 9484/2.1=31...(20) HE3 LYS 82 + HG LEU 64 OK 42 85 50 99 4.6-8.5 ~12331=48, 9479/2.1=43...(20) HE2 LYS 66 - HG LEU 38 poor 18 74 25 - 5.4-12.2 HE3 LYS 66 - HG LEU 38 poor 15 68 45 50 5.1-11.4 ~10782=12, 12323/10959=8...(13) HE3 LYS 94 - HG3 ARG 91 poor 7 33 70 32 4.6-9.3 12237/4.0=5, ~3435=2...(18) HE3 LYS 39 - HG LEU 38 far 0 80 0 - 6.8-10.4 HE3 LYS 66 - HG LEU 64 far 0 91 0 - 7.2-11.0 HE2 LYS 39 - HG LEU 38 far 0 78 0 - 7.5-10.6 HB2 ASN 60 - HG LEU 64 far 0 98 0 - 7.8-8.8 HE2 LYS 66 - HG LEU 64 far 0 96 0 - 8.1-10.8 HB2 ASN 60 - HG LEU 38 far 0 76 0 - 9.5-12.4 Violated in 5 structures by 0.04 A. Peak 9486 from cnoeabs.peaks (4.70, 0.74, 24.36 ppm; 4.58 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 82 + QD1 LEU 64 OK 100 100 100 100 3.1-4.2 3.0/7328=70...(28) HA ARG 79 + QD1 LEU 64 OK 54 96 75 76 5.7-6.3 9711/10762=38...(10) HA LEU 55 - QD1 LEU 64 far 0 84 0 - 6.8-7.8 Violated in 0 structures by 0.00 A. Peak 9487 from cnoeabs.peaks (8.19, 2.71, 40.20 ppm; 5.69 A): 1 out of 4 assignments used, quality = 1.00: H LYS 68 + HB2 ASP 65 OK 100 100 100 100 5.3-5.7 7100/3.0=95...(11) H HIS 106 - HB2 ASP 65 far 0 75 0 - 7.9-26.0 H HIS 106 - HB3 ASP 61 far 0 50 0 - 9.2-25.1 H LYS 68 - HB3 ASP 61 far 0 76 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9488 from cnoeabs.peaks (8.18, 2.64, 40.20 ppm; 5.85 A): 1 out of 2 assignments used, quality = 1.00: H LYS 68 + HB3 ASP 65 OK 100 100 100 100 5.1-5.8 7100/3.0=96...(18) H HIS 106 - HB3 ASP 65 far 0 85 0 - 9.3-24.9 Violated in 0 structures by 0.00 A. Peak 9493 from cnoeabs.peaks (1.85, 2.64, 40.20 ppm; 4.76 A): 5 out of 7 assignments used, quality = 1.00: HB3 LYS 68 + HB3 ASP 65 OK 93 93 100 100 4.6-5.1 3009/3.0=52, 4.0/9488=41...(28) HB3 LYS 66 + HB3 ASP 65 OK 87 99 90 98 4.6-6.6 7070/7067=86...(10) HB2 LYS 68 + HB3 ASP 65 OK 48 97 50 100 5.5-6.7 2997/3.0=54, 4.0/9488=41...(22) HB2 LYS 53 + HB3 ASP 77 OK 43 97 45 99 4.7-7.6 3.0/9678=69...(13) HB VAL 54 + HB3 ASP 77 OK 27 69 50 77 5.2-8.0 3.9/9241=41...(9) HG2 ARG 46 - HB3 ASP 77 far 0 80 0 - 7.5-12.3 HB3 GLU 104 - HB3 ASP 65 far 0 94 0 - 9.8-22.8 Violated in 0 structures by 0.00 A. Peak 9494 from cnoeabs.peaks (1.63, 2.64, 40.20 ppm; 5.29 A): 5 out of 7 assignments used, quality = 1.00: HB ILE 76 + HB3 ASP 77 OK 94 94 100 100 5.3-6.7 3.0/10770=81...(14) HG2 LYS 68 + HB3 ASP 65 OK 68 98 70 100 4.9-7.7 10268/3.0=67...(21) HD3 LYS 68 + HB3 ASP 65 OK 67 90 75 100 4.7-8.8 ~10268=42, 5.9/9488=38...(25) HD2 LYS 66 + HB3 ASP 65 OK 60 81 85 87 4.2-7.6 7073/7067=57...(11) HD2 LYS 68 + HB3 ASP 65 OK 57 88 65 99 4.8-8.6 ~10268=42, 5.9/9488=38...(23) HB3 ARG 79 - HB3 ASP 77 far 4 83 5 - 6.6-9.7 HB2 ARG 79 - HB3 ASP 77 far 0 77 0 - 7.4-9.6 Violated in 0 structures by 0.00 A. Peak 9495 from cnoeabs.peaks (1.46, 2.64, 40.20 ppm; 4.01 A): 5 out of 12 assignments used, quality = 1.00: HG LEU 64 + HB3 ASP 65 OK 89 92 100 97 3.9-5.3 2833/7056=45, ~9503=33...(26) HD2 LYS 53 + HB3 ASP 77 OK 87 99 100 88 2.9-4.9 2438/9678=33...(15) HG2 LYS 53 + HB3 ASP 77 OK 56 99 60 94 2.8-6.5 3.9/9678=42...(16) HG2 LYS 66 + HB3 ASP 65 OK 50 75 85 79 3.5-7.9 4.8/7067=43...(12) HG3 LYS 53 + HB3 ASP 77 OK 32 98 35 94 4.4-7.3 3.9/9678=42, ~10892=28...(14) HG13 ILE 52 - HB3 ASP 77 poor 16 99 35 46 2.8-7.9 3.2/12317=11...(12) HG3 LYS 66 - HB3 ASP 65 far 11 71 15 - 5.2-8.0 HB3 LEU 64 - HB3 ASP 65 far 0 77 0 - 5.6-7.1 HD2 LYS 82 - HB3 ASP 65 far 0 100 0 - 6.1-10.6 HG13 ILE 76 - HB3 ASP 77 far 0 85 0 - 6.5-8.1 HG LEU 38 - HB3 ASP 65 far 0 100 0 - 7.9-12.2 HB2 LEU 38 - HB3 ASP 65 far 0 100 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 9496 from cnoeabs.peaks (0.86, 2.64, 40.20 ppm; 5.00 A): 2 out of 9 assignments used, quality = 1.00: QD2 LEU 64 + HB3 ASP 65 OK 100 100 100 100 3.9-5.3 7052/7056=83...(21) QG2 ILE 76 + HB3 ASP 77 OK 81 82 100 100 3.4-4.9 3.2/10770=73...(18) QD2 LEU 103 - HB3 ASP 77 far 4 73 5 - 5.5-12.8 QD1 LEU 2 - HB3 ASP 77 lone 2 83 25 12 5.8-8.6 10894/1.8=4, 89/12317=3 QD2 LEU 38 - HB3 ASP 65 far 0 68 0 - 6.5-9.5 QD1 LEU 38 - HB3 ASP 65 far 0 100 0 - 7.4-9.4 QD1 LEU 103 - HB3 ASP 77 far 0 98 0 - 7.8-12.9 QD1 LEU 103 - HB3 ASP 65 far 0 100 0 - 8.4-22.8 QD2 LEU 103 - HB3 ASP 65 far 0 75 0 - 9.9-23.4 Violated in 0 structures by 0.00 A. Peak 9497 from cnoeabs.peaks (0.73, 2.64, 40.20 ppm; 5.32 A): 6 out of 17 assignments used, quality = 1.00: QD1 LEU 64 + HB3 ASP 65 OK 99 99 100 100 5.3-6.5 4.9/7056=73, ~9503=59...(29) QG2 VAL 78 + HB3 ASP 77 OK 97 97 100 100 6.0-6.7 8181/3.0=76, 4.0/7276=75...(14) QG1 VAL 78 + HB3 ASP 77 OK 95 95 100 100 4.4-5.2 4.0/7276=75, ~8181=53...(14) QD1 ILE 52 + HB3 ASP 77 OK 44 61 95 76 3.7-6.9 10897/7270=23...(15) QG1 VAL 58 + HB3 ASP 65 OK 35 99 40 89 6.6-7.1 7053/7056=40...(14) QG1 VAL 54 + HB3 ASP 77 OK 20 75 35 78 6.1-8.3 4.0/9241=51...(7) QD2 LEU 42 - HB3 ASP 77 poor 13 65 20 - 6.3-9.7 QD1 ILE 8 - HB3 ASP 65 far 0 90 0 - 7.2-8.8 QD1 ILE 56 - HB3 ASP 77 far 0 85 0 - 7.5-11.1 QD1 LEU 6 - HB3 ASP 77 far 0 57 0 - 8.8-13.2 QD1 ILE 56 - HB3 ASP 65 far 0 87 0 - 8.9-11.1 QD2 LEU 27 - HB3 ASP 77 far 0 99 0 - 9.0-11.6 QG2 VAL 78 - HB3 ASP 65 far 0 99 0 - 9.1-10.0 HG13 ILE 56 - HB3 ASP 77 far 0 93 0 - 9.2-13.3 QD1 LEU 27 - HB3 ASP 77 far 0 61 0 - 9.7-12.5 HG13 ILE 56 - HB3 ASP 65 far 0 95 0 - 9.9-12.7 QD2 LEU 42 - HB3 ASP 65 far 0 68 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9498 from cnoeabs.peaks (1.85, 2.71, 40.20 ppm; 5.17 A): 3 out of 6 assignments used, quality = 1.00: HB2 LYS 68 + HB2 ASP 65 OK 94 99 95 100 5.5-6.9 2997/3.0=62, 4.0/9487=51...(19) HB3 LYS 66 + HB2 ASP 65 OK 90 96 95 99 4.7-6.7 7070/7066=91...(8) HB3 LYS 68 + HB2 ASP 65 OK 85 85 100 100 4.6-5.2 4.0/9487=51, 3009/3.0=50...(22) HB3 LYS 68 - HB3 ASP 61 far 0 59 0 - 8.4-10.4 HB3 LYS 66 - HB3 ASP 61 far 0 70 0 - 8.7-10.7 HB2 LYS 68 - HB3 ASP 61 far 0 74 0 - 9.0-11.5 Violated in 0 structures by 0.00 A. Peak 9499 from cnoeabs.peaks (0.73, 2.71, 40.20 ppm; 6.41 A): 5 out of 9 assignments used, quality = 1.00: QD1 LEU 64 + HB2 ASP 65 OK 99 99 100 100 4.8-6.4 4.9/7055=94, ~9503=80...(27) QG1 VAL 58 + HB2 ASP 65 OK 92 99 100 94 6.2-6.9 7053/7055=46...(15) QD1 LEU 64 + HB3 ASP 61 OK 73 73 100 100 5.7-7.2 ~9447=78, ~9449=74...(21) QG1 VAL 58 + HB3 ASP 61 OK 65 73 100 89 7.4-7.9 ~9448=46, ~9387=39...(12) QD1 ILE 8 + HB2 ASP 65 OK 45 90 80 63 7.1-8.7 328/7066=31...(7) QD1 ILE 56 - HB2 ASP 65 far 0 87 0 - 8.8-11.0 QG2 VAL 78 - HB2 ASP 65 far 0 99 0 - 8.9-10.0 QD1 ILE 8 - HB3 ASP 61 far 0 62 0 - 9.0-10.1 HG13 ILE 56 - HB2 ASP 65 far 0 95 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 9500 from cnoeabs.peaks (1.62, 4.31, 57.27 ppm; 3.77 A): 5 out of 11 assignments used, quality = 1.00: HG2 LYS 68 + HA ASP 65 OK 92 93 100 99 3.0-4.9 2.9/3009=41, 2.9/2997=40...(25) HD2 LYS 68 + HA ASP 65 OK 69 79 90 97 3.0-5.7 3.5/3009=36, 3.5/2997=34...(27) HD3 LYS 68 + HA ASP 65 OK 63 81 80 98 2.5-5.9 3.5/3009=36, 3.5/2997=34...(28) HD3 LYS 39 + HA ASP 36 OK 39 41 100 94 1.9-5.0 3.6/10560=33, 10563=22...(22) HD2 LYS 39 + HA ASP 36 OK 28 30 100 94 1.9-4.3 3.6/10560=33...(24) HB2 LYS 40 - HA ASP 36 poor 15 37 90 46 4.2-5.5 4.1/8863=25, 6609/8949=9...(13) HD2 LYS 66 - HA ASP 65 far 0 90 0 - 6.5-8.2 HD2 LYS 66 - HA ASP 36 far 0 38 0 - 8.0-11.7 HB2 ARG 79 - HA ASP 65 far 0 88 0 - 9.1-12.2 HG3 LYS 73 - HA ASP 36 far 0 35 0 - 9.5-12.3 HG3 LYS 73 - HA ASP 65 far 0 85 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 9501 from cnoeabs.peaks (1.49, 4.31, 57.27 ppm; 4.17 A): 2 out of 16 assignments used, quality = 1.00: HG LEU 64 + HA ASP 65 OK 100 100 100 100 2.8-3.3 2.1/9503=70, 2833/3.0=57...(33) HB3 LEU 64 + HA ASP 65 OK 100 100 100 100 5.3-5.6 2825/3.0=63, 3.1/9503=58...(30) HB2 LEU 38 - HA ASP 36 poor 20 31 65 - 5.0-6.8 HG2 LYS 66 - HA ASP 65 poor 20 100 20 - 5.4-7.8 HG LEU 38 - HA ASP 36 poor 12 34 35 - 4.2-7.9 HD3 LYS 40 - HA ASP 36 poor 8 39 55 39 5.2-8.7 6.2/8863=18, 8829/3.6=9...(9) HD2 LYS 40 - HA ASP 36 far 0 39 0 - 6.5-8.1 HG3 LYS 66 - HA ASP 36 far 0 46 0 - 6.5-11.4 HD2 LYS 82 - HA ASP 65 far 0 84 0 - 6.8-9.9 HG3 LYS 66 - HA ASP 65 far 0 99 0 - 6.9-7.4 HG2 LYS 66 - HA ASP 36 far 0 47 0 - 7.2-12.2 HG LEU 38 - HA ASP 65 far 0 84 0 - 7.3-11.2 HG3 LYS 33 - HA ASP 36 far 0 40 0 - 8.6-9.8 HB2 LEU 38 - HA ASP 65 far 0 77 0 - 9.1-10.7 HG2 LYS 73 - HA ASP 65 far 0 100 0 - 9.4-11.3 HG2 LYS 73 - HA ASP 36 far 0 47 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 9502 from cnoeabs.peaks (1.34, 4.31, 57.27 ppm; 4.51 A): 3 out of 10 assignments used, quality = 1.00: QB ALA 67 + HA ASP 65 OK 100 100 100 100 5.2-5.6 2985/7100=68...(20) HG3 LYS 68 + HA ASP 65 OK 99 99 100 100 3.2-4.6 1.8/10268=60...(22) HG2 LYS 39 + HA ASP 36 OK 47 48 100 99 2.4-5.6 3.0/10560=52...(27) HG3 LYS 40 - HA ASP 36 far 0 41 0 - 6.3-8.2 HB2 LYS 82 - HA ASP 65 far 0 100 0 - 6.5-8.2 HB2 LEU 70 - HA ASP 36 far 0 33 0 - 6.5-8.0 QB ALA 67 - HA ASP 36 far 0 48 0 - 7.6-8.7 HB2 LEU 70 - HA ASP 65 far 0 81 0 - 7.9-8.7 HB3 LEU 42 - HA ASP 36 far 0 23 0 - 9.3-11.1 HG12 ILE 8 - HA ASP 65 far 0 90 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 9503 from cnoeabs.peaks (0.86, 4.31, 57.27 ppm; 4.23 A): 1 out of 12 assignments used, quality = 1.00: QD2 LEU 64 + HA ASP 65 OK 100 100 100 100 2.9-4.3 7052/3.0=69, ~2833=37...(30) QD1 LEU 38 - HA ASP 36 poor 17 48 35 - 4.0-7.3 QD2 LEU 38 - HA ASP 36 poor 13 26 50 - 5.3-7.4 QD2 LEU 38 - HA ASP 65 far 0 68 0 - 6.5-8.4 QD1 LEU 103 - HA ASP 65 far 0 100 0 - 6.6-20.4 QD1 LEU 38 - HA ASP 65 far 0 100 0 - 7.1-8.4 QD2 LEU 103 - HA ASP 65 far 0 75 0 - 7.6-20.9 QG2 VAL 32 - HA ASP 36 far 0 34 0 - 7.6-8.4 QG2 VAL 32 - HA ASP 65 far 0 84 0 - 9.4-10.8 HG13 ILE 8 - HA ASP 65 far 0 77 0 - 9.4-11.1 HG13 ILE 8 - HA ASP 36 far 0 31 0 - 9.9-12.6 QD1 LEU 57 - HA ASP 65 far 0 77 0 - 9.9-11.0 Violated in 2 structures by 0.01 A. Peak 9504 from cnoeabs.peaks (0.74, 4.31, 57.27 ppm; 4.83 A): 2 out of 13 assignments used, quality = 1.00: QD1 LEU 64 + HA ASP 65 OK 100 100 100 100 3.8-4.6 2.1/9503=88, ~7052=54...(39) QG1 VAL 58 + HA ASP 65 OK 82 88 100 93 5.7-6.3 ~9393=38, 7053/3.0=37...(15) QD1 ILE 8 - HA ASP 65 far 0 70 0 - 6.5-7.9 QD1 ILE 56 - HA ASP 65 far 0 65 0 - 6.8-9.4 QG2 VAL 78 - HA ASP 65 far 0 90 0 - 6.9-7.9 QD2 LEU 42 - HA ASP 36 far 0 37 0 - 7.4-9.6 HG13 ILE 56 - HA ASP 65 far 0 79 0 - 7.6-10.8 QD1 LEU 6 - HA ASP 36 far 0 33 0 - 7.9-10.7 QD1 ILE 8 - HA ASP 36 far 0 27 0 - 8.3-10.0 QD2 LEU 42 - HA ASP 65 far 0 88 0 - 8.5-9.9 QD1 ILE 56 - HA ASP 36 far 0 25 0 - 9.1-12.0 QG1 VAL 78 - HA ASP 65 far 0 100 0 - 9.2-10.0 QD1 LEU 6 - HA ASP 65 far 0 82 0 - 9.5-12.5 Violated in 0 structures by 0.00 A. Peak 9508 from cnoeabs.peaks (3.90, 1.49, 24.58 ppm; 4.66 A): 4 out of 10 assignments used, quality = 1.00: HA GLU 63 + HG3 LYS 66 OK 95 96 100 100 2.6-5.2 10240/3.7=58...(21) HA GLU 63 + HG2 LYS 66 OK 95 95 100 100 2.0-4.3 10240/3.7=58...(25) HA GLU 35 + HG3 LYS 66 OK 83 99 90 93 2.5-6.8 2884/3.0=26, 9509/2.9=21...(24) HA GLU 35 + HG2 LYS 66 OK 46 98 50 93 2.7-7.6 2884/3.0=26, 9509/2.9=21...(23) HA LEU 38 - HG3 LYS 33 far 0 59 0 - 6.7-8.0 HA LEU 38 - HG3 LYS 66 far 0 87 0 - 6.9-10.8 HA LEU 38 - HG2 LYS 66 far 0 87 0 - 7.5-11.8 HA GLU 35 - HG3 LYS 33 far 0 72 0 - 7.9-8.7 HA TYR 41 - HG3 LYS 33 far 0 53 0 - 9.5-10.8 HA GLU 63 - HG3 LYS 33 far 0 68 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 9509 from cnoeabs.peaks (3.90, 1.60, 27.82 ppm; 6.01 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 63 + HD2 LYS 66 OK 96 96 100 100 3.6-6.0 7061/7073=78...(19) HA GLU 35 + HD2 LYS 66 OK 93 98 95 99 4.4-7.6 4.1/12289=42...(28) HA LEU 38 - HD2 LYS 66 far 0 85 0 - 9.3-12.0 HA ALA 89 - HG2 ARG 19 far 0 87 0 - 9.8-11.9 Violated in 0 structures by 0.00 A. Peak 9510 from cnoeabs.peaks (3.87, 2.90, 41.80 ppm; 6.22 A): 10 out of 33 assignments used, quality = 1.00: HA LYS 94 + HE3 LYS 94 OK 97 97 100 100 4.3-6.4 6.0=100 HA ALA 67 + HE3 LYS 66 OK 96 97 100 98 4.8-6.6 ~2951=54, ~7090=53...(14) HA GLU 35 + HE3 LYS 66 OK 90 93 100 97 2.8-7.5 3.0/10530=26, ~12288=21...(26) HA ALA 67 + HE2 LYS 66 OK 89 96 95 98 4.8-7.8 ~2951=54, ~7090=53...(14) HA LYS 94 + HE2 LYS 94 OK 85 85 100 100 4.1-6.5 6.0=100 HA GLU 35 + HE2 LYS 66 OK 83 91 95 96 3.3-8.2 3.0/10530=23, ~10530=21...(26) HA ARG 91 + HE3 LYS 94 OK 82 87 100 95 2.0-6.5 4184/4.8=33, 4242/3.0=25...(29) HA ARG 91 + HE2 LYS 94 OK 69 73 100 95 1.9-7.0 4184/4.8=33, 4242/3.0=25...(30) HA LYS 40 + HE3 LYS 39 OK 59 73 90 90 4.3-8.2 1773/3.5=28, ~6625=20...(18) HA LYS 40 + HE2 LYS 39 OK 44 57 85 90 4.2-8.4 1773/3.5=28, ~6625=20...(18) HA GLU 35 - HE2 LYS 39 poor 19 48 40 - 4.9-8.8 HA GLU 35 - HE3 LYS 39 poor 19 63 30 - 4.7-9.0 HA GLU 43 - HE3 LYS 39 poor 17 67 25 - 6.6-10.4 HA GLU 43 - HE2 LYS 39 poor 15 52 30 - 6.4-10.3 HA LEU 38 - HE2 LYS 39 far 6 56 10 - 7.5-9.8 HA ALA 71 - HE2 LYS 39 far 5 46 10 - 7.0-11.1 HA LEU 38 - HE3 LYS 39 far 4 72 5 - 6.0-9.9 HA ALA 67 - HE3 LYS 39 far 3 68 5 - 7.5-10.4 HA ALA 71 - HE3 LYS 39 far 3 60 5 - 7.2-10.3 HA ALA 67 - HE2 LYS 39 far 3 52 5 - 7.4-10.8 HA ALA 67 - HE3 LYS 68 far 0 95 0 - 8.1-9.8 HA LEU 38 - HE3 LYS 66 far 0 100 0 - 8.2-12.3 HA LEU 38 - HE2 LYS 66 far 0 99 0 - 8.3-13.2 HA ALA 67 - HE2 LYS 68 far 0 94 0 - 8.3-10.1 HA LYS 12 - HE3 LYS 20 far 0 91 0 - 8.4-12.5 HA ALA 89 - HE2 LYS 94 far 0 54 0 - 8.5-11.9 HA ALA 89 - HE3 LYS 94 far 0 66 0 - 8.6-12.2 HA ALA 71 - HE3 LYS 66 far 0 90 0 - 8.7-11.8 HA ALA 71 - HE3 LYS 68 far 0 87 0 - 8.7-11.1 HA ALA 71 - HE2 LYS 66 far 0 88 0 - 9.2-13.3 HA ALA 71 - HE2 LYS 68 far 0 85 0 - 9.3-11.7 HA LYS 12 - HE2 LYS 20 far 0 92 0 - 9.8-12.9 HB2 SER 102 - HE3 LYS 68 far 0 81 0 - 9.9-19.9 Violated in 0 structures by 0.00 A. Peak 9511 from cnoeabs.peaks (0.79, 4.08, 58.43 ppm; 3.71 A): 5 out of 23 assignments used, quality = 1.00: QD1 ILE 76 + HA ARG 46 OK 84 84 100 100 2.6-4.3 9639=83, 9630/3.0=45...(30) QD2 LEU 70 + HA LYS 66 OK 82 96 100 85 3.2-4.5 3166/7139=29...(20) QD1 LEU 70 + HA LYS 66 OK 71 87 100 82 3.7-5.2 4.6/7139=28, 2.1/3831=20...(19) QG2 ILE 52 + HA ARG 46 OK 48 82 75 78 2.1-5.5 3.1/9512=49, ~9151=18...(11) QD2 LEU 38 + HA LYS 66 OK 31 75 50 81 3.7-7.4 9517/3.7=25, 9517/3.7=16...(28) QD1 ILE 93 - HA GLU 17 far 0 47 0 - 5.5-6.9 QD2 LEU 2 - HA ARG 46 far 0 78 0 - 6.0-8.5 QD2 LEU 42 - HA ARG 46 far 0 68 0 - 6.1-7.8 QG2 ILE 15 - HA GLU 17 far 0 51 0 - 6.5-6.9 QD1 LEU 27 - HA LYS 24 far 0 53 0 - 6.7-7.7 QG1 VAL 54 - HA ARG 46 far 0 60 0 - 6.9-8.5 QG2 ILE 8 - HA LYS 66 far 0 100 0 - 6.9-8.1 QG2 ILE 7 - HA GLU 17 far 0 58 0 - 7.9-8.7 QD2 LEU 42 - HA LYS 66 far 0 85 0 - 8.0-9.7 QD1 ILE 15 - HA GLU 17 far 0 36 0 - 8.1-8.5 QG2 VAL 32 - HA LYS 66 far 0 57 0 - 8.2-9.5 QD1 ILE 93 - HA LYS 24 far 0 55 0 - 8.2-9.1 QD1 LEU 6 - HA LYS 66 far 0 91 0 - 8.9-12.0 QD1 LEU 6 - HA ARG 46 far 0 73 0 - 9.1-11.2 QD2 LEU 57 - HA GLU 17 far 0 58 0 - 9.4-11.0 QD1 LEU 27 - HA GLU 17 far 0 46 0 - 9.6-11.1 HG13 ILE 15 - HA GLU 17 far 0 30 0 - 9.6-9.9 QD1 LEU 57 - HA GLU 17 far 0 32 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 9512 from cnoeabs.peaks (0.70, 4.08, 58.43 ppm; 4.07 A): 1 out of 18 assignments used, quality = 0.78: QD1 ILE 52 + HA ARG 46 OK 78 86 100 91 1.9-4.5 9151/3.0=42, 9171=35...(16) QD1 ILE 8 - HA LYS 66 far 0 99 0 - 5.7-7.8 QG1 VAL 58 - HA LYS 66 far 0 91 0 - 6.4-7.1 QD1 LEU 42 - HA LYS 66 far 0 99 0 - 6.6-8.1 QD1 LEU 14 - HA GLU 17 far 0 47 0 - 6.6-7.8 QD1 LEU 42 - HA ARG 46 far 0 83 0 - 6.9-8.1 QD2 LEU 14 - HA GLU 17 far 0 57 0 - 6.9-7.8 QD2 LEU 27 - HA LYS 24 far 0 45 0 - 7.0-8.2 QG2 VAL 58 - HA LYS 66 far 0 87 0 - 7.5-7.8 QG2 VAL 78 - HA ARG 46 far 0 72 0 - 7.8-9.7 QG2 VAL 78 - HA LYS 66 far 0 90 0 - 7.9-9.0 QD1 ILE 56 - HA LYS 66 far 0 99 0 - 7.9-9.7 QG1 VAL 5 - HA GLU 17 far 0 42 0 - 8.3-9.5 HG13 ILE 56 - HA LYS 66 far 0 96 0 - 8.6-11.4 QD1 ILE 56 - HA ARG 46 far 0 85 0 - 9.0-11.4 QD2 LEU 6 - HA ARG 46 far 0 82 0 - 9.1-10.8 QD2 LEU 6 - HA LYS 66 far 0 98 0 - 9.5-12.9 QG1 VAL 5 - HA LYS 24 far 0 49 0 - 9.8-10.7 Violated in 9 structures by 0.11 A. Peak 9513 from cnoeabs.peaks (0.87, 4.08, 58.43 ppm; 4.12 A): 2 out of 10 assignments used, quality = 0.85: QG2 ILE 76 + HA ARG 46 OK 80 81 100 99 2.1-4.2 3.2/9639=60, 9638=37...(27) QD1 LEU 38 + HA LYS 66 OK 24 99 35 69 4.3-7.3 ~9506=11, 12068/3.0=10...(21) QD1 LEU 2 - HA ARG 46 far 0 82 0 - 6.0-7.9 QD2 LEU 64 - HA LYS 66 far 0 100 0 - 6.7-7.9 QG1 VAL 32 - HA LYS 66 far 0 61 0 - 6.9-8.9 QG2 VAL 32 - HA LYS 66 far 0 61 0 - 8.2-9.5 HG13 ILE 7 - HA GLU 17 far 0 45 0 - 8.6-10.5 HG13 ILE 8 - HA LYS 66 far 0 94 0 - 8.7-10.2 QD1 LEU 38 - HA ARG 46 far 0 84 0 - 9.3-12.5 QD1 LEU 103 - HA LYS 66 far 0 100 0 - 9.8-23.2 Violated in 1 structures by 0.00 A. Peak 9514 from cnoeabs.peaks (0.80, 1.77, 31.73 ppm; 4.71 A): 4 out of 7 assignments used, quality = 1.00: QD2 LEU 70 + HB2 LYS 66 OK 96 100 100 96 3.8-5.9 2.1/2892=35...(21) QD1 LEU 70 + HB2 LYS 66 OK 92 98 100 94 3.3-5.5 2.1/2892=35...(21) QD2 LEU 38 + HB2 LYS 66 OK 89 93 100 96 1.9-6.0 9517/3.0=50, 9517/3.0=33...(26) QG2 ILE 8 + HB2 LYS 66 OK 53 95 95 58 5.2-6.3 10745/2884=24...(8) QG2 VAL 32 - HB2 LYS 66 far 0 81 0 - 6.4-8.1 QD2 LEU 42 - HB2 LYS 66 far 0 63 0 - 7.3-10.0 QD1 LEU 6 - HB2 LYS 66 far 0 71 0 - 7.5-10.7 Violated in 0 structures by 0.00 A. Peak 9515 from cnoeabs.peaks (0.71, 1.77, 31.73 ppm; 6.02 A): 4 out of 10 assignments used, quality = 0.99: QG1 VAL 58 + HB2 LYS 66 OK 88 98 100 90 5.4-6.2 9520/2895=33...(12) QD1 ILE 8 + HB2 LYS 66 OK 85 100 100 85 4.4-6.2 328/7069=34...(14) QG2 VAL 58 + HB2 LYS 66 OK 47 73 95 67 6.2-7.7 ~10224=25, 10218/1.8=20...(6) QD1 LEU 42 + HB2 LYS 66 OK 25 93 80 33 5.9-8.4 9536/10776=10...(8) QD1 LEU 64 - HB2 LYS 66 far 10 70 15 - 7.3-8.4 QD1 ILE 56 - HB2 LYS 66 far 10 100 10 - 7.0-9.4 HG13 ILE 56 - HB2 LYS 66 far 0 100 0 - 7.8-11.1 QD2 LEU 6 - HB2 LYS 66 far 0 91 0 - 8.2-11.8 QG2 VAL 78 - HB2 LYS 66 far 0 97 0 - 8.4-9.6 QG1 VAL 78 - HB2 LYS 66 far 0 61 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 9516 from cnoeabs.peaks (0.80, 1.86, 31.73 ppm; 4.75 A): 5 out of 16 assignments used, quality = 1.00: QD2 LEU 70 + HB3 LYS 66 OK 95 99 100 96 4.4-6.0 ~2892=27, 9514/1.8=23...(22) QD1 LEU 70 + HB3 LYS 66 OK 88 94 100 94 3.5-5.8 ~2892=27, 9514/1.8=22...(23) QD2 LEU 38 + HB3 LYS 66 OK 78 85 95 96 2.1-6.4 9517/3.0=49, 9517/3.0=32...(23) QG2 ILE 8 + HB3 LYS 66 OK 60 99 100 61 4.3-5.6 10745/2771=28...(10) QD1 ILE 93 + HB3 LYS 90 OK 23 24 100 97 3.2-4.1 10025/3.0=57, ~4129=36...(18) QG2 VAL 32 - HB3 LYS 66 poor 14 70 20 - 6.0-8.0 QD1 LEU 27 - HB3 LYS 90 far 0 23 0 - 7.0-9.2 QD1 LEU 57 - HB3 LYS 90 far 0 22 0 - 7.1-8.9 QD2 LEU 57 - HB3 LYS 90 far 0 36 0 - 7.1-8.5 QD2 LEU 42 - HB3 LYS 66 far 0 75 0 - 7.3-9.4 QD1 LEU 6 - HB3 LYS 66 far 0 82 0 - 7.5-10.7 QG2 ILE 15 - HB3 LYS 90 far 0 33 0 - 7.9-10.0 QG2 ILE 7 - HB3 LYS 90 far 0 36 0 - 8.2-10.0 QD2 LEU 103 - HB3 LYS 90 far 0 23 0 - 9.3-17.7 QG2 ILE 7 - HB3 LYS 66 far 0 100 0 - 9.6-11.0 QG1 VAL 54 - HB3 LYS 66 far 0 65 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 9517 from cnoeabs.peaks (0.81, 1.49, 24.58 ppm; 3.59 A): 2 out of 20 assignments used, quality = 0.66: QD2 LEU 38 + HG3 LYS 66 OK 50 98 75 68 2.5-7.8 2637=12, 10782/2.9=10...(25) QD2 LEU 38 + HG2 LYS 66 OK 32 97 50 66 2.9-8.4 10782/2.9=10...(24) QD1 LEU 70 - HG3 LYS 66 poor 20 100 20 - 2.1-6.5 QD2 LEU 70 - HG3 LYS 66 far 15 100 15 - 3.3-6.5 QD2 LEU 70 - HG2 LYS 66 far 15 100 15 - 4.6-6.5 QD1 LEU 70 - HG2 LYS 66 far 15 100 15 - 3.5-7.0 QG2 ILE 8 - HG3 LYS 66 far 9 88 10 - 4.6-6.9 QG2 VAL 32 - HG3 LYS 33 far 6 62 10 - 5.0-5.4 QG2 ILE 8 - HG2 LYS 66 far 4 88 5 - 4.9-7.2 QG2 ILE 8 - HG3 LYS 33 far 3 61 5 - 5.0-6.4 QD2 LEU 38 - HG3 LYS 33 far 0 71 0 - 5.4-8.2 QG2 ILE 7 - HG3 LYS 33 far 0 72 0 - 6.4-7.7 QD1 LEU 6 - HG3 LYS 33 far 0 38 0 - 6.6-8.6 QG2 VAL 32 - HG3 LYS 66 far 0 90 0 - 7.1-9.2 QG2 VAL 32 - HG2 LYS 66 far 0 89 0 - 7.2-10.0 QG2 ILE 15 - HG3 LYS 33 far 0 76 0 - 7.4-8.6 QD1 LEU 6 - HG3 LYS 66 far 0 59 0 - 8.3-12.2 QD1 LEU 70 - HG3 LYS 33 far 0 75 0 - 8.5-11.0 QD1 LEU 6 - HG2 LYS 66 far 0 59 0 - 9.0-12.7 QD2 LEU 70 - HG3 LYS 33 far 0 76 0 - 9.0-11.8 Violated in 15 structures by 0.96 A. Peak 9524 from cnoeabs.peaks (0.82, 3.85, 55.40 ppm; 3.28 A): 5 out of 25 assignments used, quality = 1.00: QD1 LEU 70 + HA ALA 67 OK 87 99 100 87 2.0-4.1 9540=21, 2.1/9541=19...(19) QD2 LEU 38 + HA ALA 67 OK 75 100 100 75 1.9-4.6 9526/2.1=20, 2.1/1659=16...(23) QD2 LEU 70 + HA ALA 67 OK 74 95 90 87 2.5-4.9 9541=21, 3.1/3141=19...(18) QD1 ILE 76 + HA ALA 71 OK 56 63 100 89 2.9-3.8 12176/2.1=25...(21) QD1 LEU 38 + HA ALA 67 OK 45 65 100 68 1.8-3.8 1659=12, 9526/2.1=12...(19) QD1 LEU 38 - HA ALA 71 poor 14 45 30 - 4.0-7.9 QG2 VAL 32 - HA ALA 67 far 0 100 0 - 5.1-6.7 QD2 LEU 70 - HA ALA 71 far 0 71 0 - 5.4-5.9 QD1 LEU 70 - HA ALA 71 far 0 77 0 - 5.5-5.9 QD2 LEU 38 - HA ALA 71 far 0 80 0 - 5.5-8.8 QG2 ILE 8 - HA ALA 67 far 0 61 0 - 5.9-7.4 QD2 LEU 57 - HA ALA 22 far 0 44 0 - 6.8-8.6 QD1 ILE 76 - HA ALA 67 far 0 87 0 - 7.2-8.3 QD2 LEU 64 - HA ALA 67 far 0 61 0 - 7.8-8.9 QG2 VAL 32 - HA ALA 71 far 0 78 0 - 8.3-9.5 QD2 LEU 103 - HA ALA 71 far 0 80 0 - 8.6-18.8 QD1 LEU 57 - HA ALA 22 far 0 65 0 - 8.6-9.6 QD2 LEU 103 - HA ALA 22 far 0 65 0 - 8.8-15.3 QD2 LEU 57 - HA ALA 67 far 0 79 0 - 9.1-10.1 QG2 ILE 15 - HA ALA 22 far 0 59 0 - 9.3-10.4 QD2 LEU 2 - HA ALA 22 far 0 58 0 - 9.3-12.1 QG2 ILE 7 - HA ALA 22 far 0 48 0 - 9.5-10.2 QG2 ILE 7 - HA ALA 67 far 0 84 0 - 9.6-11.2 QD1 LEU 57 - HA ALA 67 far 0 100 0 - 9.7-11.4 QD2 LEU 103 - HA ALA 67 far 0 100 0 - 9.9-20.6 Violated in 0 structures by 0.00 A. Peak 9525 from cnoeabs.peaks (0.72, 3.85, 55.40 ppm; 3.49 A): 9 out of 28 assignments used, quality = 1.00: QG2 VAL 78 + HA ALA 71 OK 78 80 100 98 3.5-4.1 2.1/10658=53, ~9685=35...(23) QD1 ILE 8 + HA ALA 67 OK 63 98 85 76 3.7-5.8 10681/2.1=24...(19) QG1 VAL 78 + HA ALA 71 OK 62 64 100 97 3.0-3.5 10290/2.1=41, ~9685=35...(22) QD2 LEU 27 + HA ALA 22 OK 58 64 95 95 4.1-5.1 3.1/8636=33, 1214/2.1=28...(19) QD1 LEU 42 + HA ALA 67 OK 50 70 100 71 3.0-4.4 2.1/8924=13...(22) QD1 LEU 42 + HA ALA 71 OK 44 48 100 92 1.9-2.9 10414/3.0=21...(29) QG2 ILE 93 + HA ALA 22 OK 41 46 100 90 1.9-2.8 11002/3.0=26, 10028=25...(27) HG13 ILE 56 + HA ALA 67 OK 23 99 25 94 4.4-7.4 10677/2.1=58, ~9528=26...(16) QG1 VAL 5 + HA ALA 22 OK 22 65 45 74 4.6-5.5 ~8578=29, 10192/2.1=26...(12) QD1 ILE 56 - HA ALA 67 far 14 96 15 - 4.6-6.1 HG13 ILE 93 - HA ALA 22 poor 11 54 20 - 4.2-6.7 QG2 VAL 78 - HA ALA 67 far 0 100 0 - 5.0-6.3 QD1 ILE 56 - HA ALA 71 far 0 73 0 - 5.2-7.2 QG1 VAL 58 - HA ALA 67 far 0 100 0 - 5.3-6.2 QD2 LEU 6 - HA ALA 67 far 0 65 0 - 5.7-9.3 QG1 VAL 78 - HA ALA 67 far 0 88 0 - 6.0-7.4 QG1 VAL 54 - HA ALA 71 far 0 40 0 - 6.0-7.7 HG13 ILE 56 - HA ALA 71 far 0 78 0 - 6.3-8.6 QG1 VAL 54 - HA ALA 67 far 0 59 0 - 6.7-8.5 QD1 LEU 64 - HA ALA 67 far 0 93 0 - 6.8-7.8 QD2 LEU 6 - HA ALA 71 far 0 45 0 - 7.2-9.4 QD1 ILE 52 - HA ALA 71 far 0 57 0 - 7.3-9.4 QD2 LEU 6 - HA ALA 22 far 0 36 0 - 8.1-10.4 QD1 ILE 8 - HA ALA 71 far 0 75 0 - 8.1-9.5 QG1 VAL 54 - HA ALA 22 far 0 32 0 - 8.6-9.6 QD1 LEU 64 - HA ALA 71 far 0 69 0 - 9.2-10.6 QG1 VAL 58 - HA ALA 71 far 0 80 0 - 9.3-10.2 QD1 ILE 56 - HA ALA 22 far 0 59 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9526 from cnoeabs.peaks (0.82, 1.34, 17.79 ppm; 3.14 A): 5 out of 13 assignments used, quality = 0.98: QD2 LEU 38 + QB ALA 67 OK 73 100 100 73 1.7-3.3 9524/2.1=13, 3.8/2983=9...(30) QG2 VAL 32 + QB ALA 67 OK 59 100 100 59 3.2-4.5 2.1/10336=19...(13) QD1 LEU 70 + QB ALA 67 OK 46 99 60 78 3.1-5.0 9524/2.1=15, 2.1/3152=13...(25) QD1 LEU 38 + QB ALA 67 OK 43 65 100 66 1.8-3.1 1659/2.1=9, 3.8/2983=9...(28) QG2 ILE 8 + QB ALA 67 OK 26 61 65 66 3.9-5.2 3.0/10681=17, 2.1/293=13...(21) QD2 LEU 70 - QB ALA 67 far 5 95 5 - 3.3-5.8 QD2 LEU 64 - QB ALA 67 far 0 61 0 - 5.7-6.4 QD2 LEU 57 - QB ALA 67 far 0 79 0 - 5.9-6.7 QD1 ILE 76 - QB ALA 67 far 0 87 0 - 6.3-7.6 QD1 LEU 57 - QB ALA 67 far 0 100 0 - 6.4-7.8 QG2 ILE 7 - QB ALA 67 far 0 84 0 - 6.7-7.9 QD2 LEU 103 - QB ALA 67 far 0 100 0 - 7.6-16.4 QG2 ILE 15 - QB ALA 67 far 0 96 0 - 9.1-10.2 Violated in 0 structures by 0.00 A. Peak 9527 from cnoeabs.peaks (0.71, 1.34, 17.79 ppm; 2.79 A): 5 out of 15 assignments used, quality = 1.00: QD1 ILE 56 + QB ALA 67 OK 85 100 100 86 2.3-3.9 3.0/9528=36...(15) QG1 VAL 58 + QB ALA 67 OK 83 99 100 84 2.8-3.7 9384=29, 9385/2981=25...(27) QD1 ILE 8 + QB ALA 67 OK 79 100 100 79 1.8-3.3 10681=25, 8313/9528=16...(27) HG13 ILE 56 + QB ALA 67 OK 70 100 85 83 2.1-4.5 10677=34, 3.2/9528=34...(14) QD1 LEU 42 + QB ALA 67 OK 30 90 100 33 2.8-4.2 2.1/1946=6, 622=6...(11) QG2 VAL 78 - QB ALA 67 poor 14 99 60 24 3.7-4.9 10194=5, 10907/9732=4...(8) QD2 LEU 6 - QB ALA 67 far 4 87 5 - 3.9-6.6 QD1 LEU 64 - QB ALA 67 far 0 75 0 - 4.4-5.3 QG2 VAL 58 - QB ALA 67 far 0 68 0 - 4.4-5.3 QG1 VAL 78 - QB ALA 67 far 0 68 0 - 4.7-6.0 QG1 VAL 5 - QB ALA 67 far 0 96 0 - 6.9-8.1 QD2 LEU 14 - QB ALA 67 far 0 100 0 - 8.4-9.5 QD1 ILE 52 - QB ALA 67 far 0 96 0 - 8.9-10.7 QD1 LEU 14 - QB ALA 67 far 0 71 0 - 8.9-10.1 HG3 ARG 81 - QB ALA 67 far 0 79 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 9528 from cnoeabs.peaks (0.58, 1.34, 17.79 ppm; 3.29 A): 1 out of 2 assignments used, quality = 0.93: QG2 ILE 56 + QB ALA 67 OK 93 96 100 97 1.9-2.8 9325=57, 3.2/10677=36...(25) QD1 ILE 7 - QB ALA 67 far 0 63 0 - 7.3-8.4 Violated in 0 structures by 0.00 A. Peak 9539 from cnoeabs.peaks (3.85, 1.70, 27.00 ppm; 4.94 A): 4 out of 6 assignments used, quality = 1.00: HA ALA 67 + HG LEU 70 OK 99 100 100 99 1.9-3.7 3141/3.0=41, 2.1/3152=38...(20) HA ALA 71 + HG LEU 70 OK 99 99 100 100 5.8-6.4 3.0/3157=64, ~3173=47...(15) HA GLU 35 + HG LEU 70 OK 71 75 100 94 4.0-5.1 9541/2.1=35...(27) HA LEU 38 + HG LEU 70 OK 24 94 30 86 6.1-7.6 3.7/10959=34...(17) HA LYS 40 - HG LEU 70 far 0 99 0 - 9.3-10.5 HA LYS 12 - HG2 PRO 86 far 0 75 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 9540 from cnoeabs.peaks (3.87, 0.81, 25.21 ppm; 3.24 A): 7 out of 22 assignments used, quality = 1.00: HA ALA 67 + QD1 LEU 70 OK 84 97 100 87 2.0-4.1 9524=24, 9541/2.1=20...(20) HA GLU 35 + QD1 LEU 70 OK 76 93 100 82 1.9-4.2 9541/2.1=19, 10609=18...(28) HA LEU 38 + QD2 LEU 38 OK 65 66 100 98 1.9-4.0 3.8=60, 1621/2.1=30...(30) HA GLU 35 + QD2 LEU 38 OK 50 57 100 87 1.9-4.7 10168/2.1=23...(25) HA ALA 67 + QD2 LEU 38 OK 48 62 100 77 1.9-4.6 9524=20, 2.1/9526=19...(22) HA LEU 38 + QD1 LEU 70 OK 35 100 60 59 3.8-6.5 3.6/10812=12...(18) HA ALA 89 + QD2 LEU 57 OK 28 36 100 77 3.6-3.9 9929=20, 10698/2.1=19...(18) HA ALA 71 - QD1 LEU 70 far 0 90 0 - 5.5-5.9 HA ALA 71 - QD2 LEU 38 far 0 54 0 - 5.5-8.8 HA LYS 40 - QD1 LEU 70 far 0 100 0 - 6.0-7.9 HA LYS 40 - QD2 LEU 38 far 0 67 0 - 7.0-8.5 HA3 GLY 101 - QD2 LEU 57 far 0 46 0 - 7.5-13.4 HA GLU 43 - QD1 LEU 70 far 0 96 0 - 7.7-9.3 HA ARG 91 - QD2 LEU 57 far 0 51 0 - 7.8-8.4 HA LYS 94 - QD2 LEU 57 far 0 61 0 - 8.0-8.6 HA2 GLY 101 - QD2 LEU 57 far 0 61 0 - 8.0-13.8 HA GLU 43 - QD2 LEU 38 far 0 61 0 - 8.3-10.8 HB2 SER 102 - QD2 LEU 57 far 0 45 0 - 8.9-16.0 HA LEU 38 - QD2 LEU 57 far 0 60 0 - 9.1-10.3 HA ALA 67 - QD2 LEU 57 far 0 56 0 - 9.1-10.1 HB2 SER 85 - QD2 LEU 57 far 0 34 0 - 9.6-10.3 HA2 GLY 100 - QD2 LEU 57 far 0 61 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 9541 from cnoeabs.peaks (3.87, 0.81, 24.20 ppm; 3.98 A): 3 out of 15 assignments used, quality = 0.99: HA ALA 67 + QD2 LEU 70 OK 91 96 100 95 2.5-4.9 3141/3.1=26, 2980/2.1=23...(21) HA GLU 35 + QD2 LEU 70 OK 85 95 100 90 2.7-5.0 10609=22, 10609/2.1=19...(30) HA ALA 89 + QD1 LEU 57 OK 35 37 100 95 1.8-3.9 3.0/9926=34...(21) HA LEU 38 - QD2 LEU 70 far 5 100 5 - 3.9-8.0 HA ALA 71 - QD2 LEU 70 far 4 87 5 - 5.4-5.9 HA LYS 40 - QD2 LEU 70 far 0 100 0 - 6.0-9.0 HA ARG 91 - QD1 LEU 57 far 0 50 0 - 6.9-8.1 HB2 SER 85 - QD1 LEU 57 far 0 35 0 - 7.0-9.3 HA GLU 43 - QD2 LEU 70 far 0 98 0 - 7.9-10.1 HB2 SER 102 - QD1 LEU 57 far 0 45 0 - 7.9-15.5 HA3 GLY 101 - QD1 LEU 57 far 0 46 0 - 8.0-13.3 HA2 GLY 101 - QD1 LEU 57 far 0 58 0 - 8.0-13.7 HA LYS 94 - QD1 LEU 57 far 0 58 0 - 8.6-9.1 HA ALA 67 - QD1 LEU 57 far 0 52 0 - 9.7-11.4 HA2 GLY 100 - QD1 LEU 57 far 0 58 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 9543 from cnoeabs.peaks (0.69, 1.37, 41.70 ppm; 3.70 A): 1 out of 9 assignments used, quality = 0.98: QD1 LEU 42 + HB2 LEU 70 OK 98 100 100 98 2.0-3.4 9544/1.8=73...(18) QG2 VAL 78 - HB2 LEU 70 far 4 82 5 - 5.0-5.9 QD1 ILE 56 - HB2 LEU 70 far 0 98 0 - 5.5-7.2 HG13 ILE 56 - HB2 LEU 70 far 0 92 0 - 6.0-8.9 QD1 ILE 8 - HB2 LEU 70 far 0 96 0 - 6.2-7.9 QD2 LEU 6 - HB2 LEU 70 far 0 99 0 - 6.9-9.4 QG1 VAL 58 - HB2 LEU 70 far 0 84 0 - 7.7-8.7 QG2 VAL 54 - HB2 LEU 70 far 0 57 0 - 8.0-9.3 QG2 VAL 58 - HB2 LEU 70 far 0 93 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 9544 from cnoeabs.peaks (0.68, 1.72, 41.70 ppm; 3.62 A): 1 out of 8 assignments used, quality = 0.95: QD1 LEU 42 + HB3 LEU 70 OK 95 100 100 95 2.4-3.9 9543/1.8=68...(13) QG2 VAL 78 - HB3 LEU 70 far 0 61 0 - 6.4-7.0 QD1 ILE 56 - HB3 LEU 70 far 0 87 0 - 6.9-8.4 QD1 ILE 8 - HB3 LEU 70 far 0 84 0 - 7.3-9.1 QD2 LEU 6 - HB3 LEU 70 far 0 100 0 - 7.6-10.3 HG13 ILE 56 - HB3 LEU 70 far 0 75 0 - 7.6-10.3 QG2 VAL 54 - HB3 LEU 70 far 0 79 0 - 8.7-9.8 QG1 VAL 58 - HB3 LEU 70 far 0 63 0 - 8.9-9.9 Violated in 6 structures by 0.05 A. Peak 9545 from cnoeabs.peaks (0.67, 1.70, 27.00 ppm; 4.23 A): 2 out of 9 assignments used, quality = 0.98: QD1 LEU 42 + HG LEU 70 OK 92 95 100 97 3.7-5.0 9544/3.0=69, 9543/3.0=54...(14) QD1 LEU 14 + HG2 PRO 86 OK 74 74 100 100 4.6-5.5 8411/3.8=61, 9889/1.8=53...(31) QD1 ILE 8 - HG LEU 70 far 0 61 0 - 5.8-7.6 QD1 ILE 56 - HG LEU 70 far 0 65 0 - 6.2-8.6 QD2 LEU 14 - HG2 PRO 86 far 0 40 0 - 6.3-6.7 QD2 LEU 6 - HG LEU 70 far 0 96 0 - 8.0-10.9 QG2 VAL 58 - HG LEU 70 far 0 100 0 - 8.7-9.8 QD2 LEU 29 - HG2 PRO 86 far 0 52 0 - 9.3-11.5 QG2 VAL 54 - HG LEU 70 far 0 95 0 - 9.8-11.3 Violated in 12 structures by 0.10 A. Peak 9546 from cnoeabs.peaks (3.59, 0.81, 25.21 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.97: HA LYS 39 + QD1 LEU 70 OK 94 94 100 100 2.6-4.9 10822/2.1=99...(42) HA LYS 39 + QD2 LEU 38 OK 58 58 100 100 4.4-6.1 ~6599=75, 10547/4.5=73...(31) Violated in 0 structures by 0.00 A. Peak 9547 from cnoeabs.peaks (2.90, 0.81, 25.21 ppm; 6.50 A): 6 out of 17 assignments used, quality = 1.00: HE2 LYS 66 + QD1 LEU 70 OK 99 100 100 99 2.6-7.1 12323/2.1=40, ~12323=39...(29) HE3 LYS 66 + QD1 LEU 70 OK 99 100 100 99 2.5-6.2 12323/2.1=45, ~12323=35...(29) HE3 LYS 39 + QD1 LEU 70 OK 92 93 100 98 3.3-5.8 3.5/10569=60...(18) HE2 LYS 39 + QD1 LEU 70 OK 84 85 100 98 3.6-5.6 3.5/10569=60...(18) HE3 LYS 66 + QD2 LEU 38 OK 61 66 95 96 3.1-8.0 3.6/9517=60, 3.6/9517=39...(23) HE2 LYS 66 + QD2 LEU 38 OK 58 67 90 96 3.4-8.8 3.6/9517=60, 3.6/9517=39...(23) HE2 LYS 39 - QD2 LEU 38 poor 18 51 35 - 6.5-9.0 HB2 ASN 60 - QD2 LEU 38 poor 17 67 25 - 7.3-10.2 HE3 LYS 39 - QD2 LEU 38 poor 14 57 25 - 5.8-9.4 HE2 LYS 68 - QD2 LEU 38 far 0 62 0 - 8.4-11.6 HE3 LYS 68 - QD2 LEU 38 far 0 63 0 - 8.6-11.1 HE3 LYS 68 - QD1 LEU 70 far 0 98 0 - 8.6-11.3 HE3 LYS 68 - QD2 LEU 57 far 0 57 0 - 8.9-11.7 HE2 LYS 94 - QD2 LEU 57 far 0 47 0 - 9.1-11.3 HE2 LYS 68 - QD1 LEU 70 far 0 97 0 - 9.1-11.4 HE2 LYS 68 - QD2 LEU 57 far 0 56 0 - 9.1-12.1 HE3 LYS 94 - QD2 LEU 57 far 0 55 0 - 9.2-11.7 Violated in 0 structures by 0.00 A. Peak 9548 from cnoeabs.peaks (2.19, 0.81, 25.21 ppm; 4.41 A): 5 out of 17 assignments used, quality = 1.00: HG3 GLU 35 + QD1 LEU 70 OK 94 99 100 96 1.9-3.5 2.9/9549=24, 10526=22...(32) HG2 GLU 35 + QD1 LEU 70 OK 94 99 100 96 1.9-4.2 2.9/9549=24, 10526=22...(30) HG3 GLU 35 + QD2 LEU 38 OK 49 64 85 90 2.9-7.8 12063/3.1=22, ~12063=17...(25) HG2 GLU 35 + QD2 LEU 38 OK 43 64 75 90 3.5-7.2 12063/3.1=22, ~12063=17...(23) HB2 GLU 63 + QD2 LEU 38 OK 32 63 95 53 3.2-6.2 3.0/10745=22...(6) HG2 GLU 43 - QD1 LEU 70 far 0 100 0 - 6.0-7.6 HB2 GLU 63 - QD1 LEU 70 far 0 98 0 - 6.5-9.1 HB2 GLU 95 - QD2 LEU 57 far 0 52 0 - 6.6-9.7 HG2 GLU 104 - QD2 LEU 57 far 0 30 0 - 6.8-14.1 HB2 GLN 72 - QD1 LEU 70 far 0 90 0 - 7.4-9.0 HB3 GLU 95 - QD2 LEU 57 far 0 43 0 - 7.5-9.9 HG2 GLU 43 - QD2 LEU 38 far 0 67 0 - 7.9-9.8 HB2 GLU 63 - QD2 LEU 57 far 0 57 0 - 8.1-9.4 HG2 GLU 99 - QD2 LEU 57 far 0 33 0 - 8.4-11.5 HG3 GLU 75 - QD1 LEU 70 far 0 99 0 - 9.1-10.5 HB2 GLN 72 - QD2 LEU 38 far 0 54 0 - 9.7-12.5 HG2 GLU 75 - QD1 LEU 70 far 0 98 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 9549 from cnoeabs.peaks (2.01, 0.81, 25.21 ppm; 4.04 A): 4 out of 19 assignments used, quality = 1.00: HB2 GLU 35 + QD1 LEU 70 OK 95 100 100 95 3.2-4.3 3.0/10609=17...(31) QE MET 74 + QD1 LEU 70 OK 94 99 100 95 3.1-5.2 10276/3.1=38...(26) HB2 GLU 35 + QD2 LEU 38 OK 54 67 85 96 4.0-7.2 ~10168=19, 3.0/10609=17...(35) HG12 ILE 93 + QD2 LEU 57 OK 33 45 100 74 2.7-5.0 9266/9269=16, ~2630=12...(19) HB2 GLU 37 - QD2 LEU 38 poor 16 39 40 - 3.6-7.4 QE MET 74 - QD2 LEU 38 far 3 64 5 - 5.3-7.7 HB2 GLU 37 - QD1 LEU 70 far 0 70 0 - 5.9-8.4 HB2 MET 21 - QD2 LEU 57 far 0 29 0 - 6.5-8.0 HB2 GLU 62 - QD2 LEU 38 far 0 67 0 - 7.5-10.9 HB3 GLU 17 - QD2 LEU 57 far 0 60 0 - 8.0-10.5 HB2 GLU 44 - QD2 LEU 38 far 0 64 0 - 8.2-12.8 HB3 LYS 94 - QD2 LEU 57 far 0 58 0 - 8.3-9.8 HB2 GLU 99 - QD2 LEU 57 far 0 38 0 - 8.6-11.4 HB2 ARG 46 - QD2 LEU 38 far 0 35 0 - 8.6-14.2 HB3 GLU 99 - QD2 LEU 57 far 0 45 0 - 8.7-12.1 HB2 GLU 44 - QD1 LEU 70 far 0 99 0 - 9.1-12.4 HB2 ARG 46 - QD1 LEU 70 far 0 63 0 - 9.2-11.4 HB2 GLU 62 - QD1 LEU 70 far 0 100 0 - 9.5-11.2 HB3 GLU 44 - QD2 LEU 38 far 0 64 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 9551 from cnoeabs.peaks (2.52, 3.85, 55.14 ppm; 4.60 A): 2 out of 10 assignments used, quality = 1.00: HG2 MET 74 + HA ALA 71 OK 98 99 100 100 1.9-5.1 9613=72, 1.8/9552=70...(21) HG3 GLN 72 + HA ALA 71 OK 89 91 100 98 5.2-6.0 12298/2.1=53, ~10842=41...(14) HG3 GLU 23 - HA ALA 22 poor 9 44 20 - 5.7-6.5 HG2 MET 74 - HA ALA 67 far 0 76 0 - 6.6-10.1 HG3 GLN 72 - HA ALA 67 far 0 67 0 - 6.7-8.1 HG3 GLU 63 - HA ALA 67 far 0 80 0 - 8.7-10.7 HB3 ASP 36 - HA ALA 67 far 0 77 0 - 9.4-11.0 HB2 ASP 36 - HA ALA 67 far 0 76 0 - 9.7-10.5 HD2 ARG 91 - HA ALA 22 far 0 40 0 - 9.7-14.4 HG3 GLU 95 - HA ALA 22 far 0 58 0 - 9.9-12.1 Violated in 1 structures by 0.00 A. Peak 9552 from cnoeabs.peaks (2.62, 3.85, 55.14 ppm; 4.96 A): 1 out of 7 assignments used, quality = 1.00: HG3 MET 74 + HA ALA 71 OK 100 100 100 100 1.9-3.8 1.8/9613=77...(25) HG3 MET 74 - HA ALA 67 far 0 79 0 - 6.7-8.7 HB3 ASP 65 - HA ALA 67 far 0 66 0 - 7.5-8.5 HB VAL 58 - HA ALA 67 far 0 67 0 - 8.1-9.4 HB3 TYR 41 - HA ALA 67 far 0 69 0 - 8.4-10.0 HB3 TYR 41 - HA ALA 71 far 0 93 0 - 8.7-10.0 HB3 ASP 77 - HA ALA 71 far 0 96 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 9553 from cnoeabs.peaks (0.74, 1.41, 18.49 ppm; 2.72 A): 3 out of 12 assignments used, quality = 1.00: QG1 VAL 78 + QB ALA 71 OK 93 99 100 94 1.7-2.3 10290=48, 2.1/9685=36...(27) QG2 VAL 78 + QB ALA 71 OK 88 96 100 92 1.6-1.8 2.1/9685=36...(25) QD2 LEU 42 + QB ALA 71 OK 43 79 100 55 2.2-3.6 ~10414=12, 2.1/12014=11...(17) HG13 ILE 56 - QB ALA 71 poor 18 88 20 - 3.9-6.2 QD1 ILE 56 - QB ALA 71 lone 6 77 65 11 3.2-5.4 3481/9685=6, 3475/9688=4 QG1 VAL 54 - QB ALA 71 far 0 87 0 - 4.3-6.2 QD1 LEU 6 - QB ALA 71 far 0 71 0 - 4.8-7.6 QD1 LEU 64 - QB ALA 71 far 0 100 0 - 6.1-7.3 QD1 ILE 8 - QB ALA 71 far 0 81 0 - 6.1-7.1 QG1 VAL 58 - QB ALA 71 far 0 95 0 - 6.7-7.4 QG1 VAL 5 - QB ALA 71 far 0 99 0 - 8.3-9.4 HG3 ARG 81 - QB ALA 71 far 0 100 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9559 from cnoeabs.peaks (4.00, 2.23, 28.06 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.99: HA GLU 69 + HB3 GLN 72 OK 96 99 100 96 3.0-4.6 9560/1.8=40...(16) HA LEU 70 + HB3 GLN 72 OK 71 95 85 88 4.7-6.5 10810/7199=39...(12) HA GLU 75 - HB3 GLN 72 far 10 100 10 - 5.4-6.5 Violated in 3 structures by 0.07 A. Peak 9560 from cnoeabs.peaks (3.98, 2.16, 28.06 ppm; 4.03 A): 2 out of 3 assignments used, quality = 0.98: HA GLU 69 + HB2 GLN 72 OK 95 99 100 96 4.3-5.0 9559/1.8=39...(15) HA GLU 75 + HB2 GLN 72 OK 51 96 75 72 5.0-5.8 10833/3.0=36, ~9618=13...(10) HA LEU 70 - HB2 GLN 72 far 0 68 0 - 6.3-6.7 Violated in 20 structures by 0.32 A. Peak 9561 from cnoeabs.peaks (4.01, 2.42, 33.99 ppm; 4.86 A): 3 out of 5 assignments used, quality = 0.99: HA GLU 69 + HG2 GLN 72 OK 95 96 100 100 1.9-3.8 9571/3.5=59, 9570/3.5=53...(21) HA LEU 70 + HG2 GLN 72 OK 83 99 90 93 3.8-6.4 10810/7200=52...(12) HA GLU 75 + HG2 GLN 72 OK 21 99 30 70 5.7-7.6 9619/3.9=35, ~7237=20...(7) HA GLU 75 - HG3 GLN 50 far 0 95 0 - 8.3-16.4 HA GLU 75 - HG2 GLN 50 far 0 68 0 - 9.3-15.9 Violated in 0 structures by 0.00 A. Peak 9562 from cnoeabs.peaks (4.00, 2.54, 33.99 ppm; 4.75 A): 3 out of 3 assignments used, quality = 1.00: HA GLU 69 + HG3 GLN 72 OK 100 100 100 100 2.0-3.8 9571/3.5=57, 9570/3.5=51...(24) HA LEU 70 + HG3 GLN 72 OK 56 90 70 89 4.1-6.4 9559/3.0=34...(10) HA GLU 75 + HG3 GLN 72 OK 23 100 30 75 5.6-7.9 10833/3.9=39...(8) Violated in 0 structures by 0.00 A. Peak 9563 from cnoeabs.peaks (1.89, 2.54, 33.99 ppm; 5.57 A): 1 out of 5 assignments used, quality = 0.96: HB3 LYS 68 + HG3 GLN 72 OK 96 96 100 100 5.3-6.7 3.0/12324=55, 12167=47...(24) HB3 LYS 39 - HG3 GLN 72 far 0 87 0 - 8.5-11.2 HB VAL 54 - HG3 GLN 72 far 0 100 0 - 8.9-11.9 HG LEU 42 - HG3 GLN 72 far 0 99 0 - 9.4-10.6 HB3 LYS 66 - HG3 GLN 72 far 0 85 0 - 9.5-11.2 Violated in 17 structures by 0.46 A. Peak 9564 from cnoeabs.peaks (1.64, 2.54, 33.99 ppm; 5.21 A): 3 out of 9 assignments used, quality = 1.00: HD2 LYS 68 + HG3 GLN 72 OK 96 98 100 98 4.4-6.5 3.5/9563=58...(23) HG2 LYS 68 + HG3 GLN 72 OK 84 100 85 99 3.4-7.3 2.9/9563=63...(25) HD3 LYS 68 + HG3 GLN 72 OK 72 98 75 99 5.7-7.1 3.5/9563=58...(25) HD3 LYS 73 - HG3 GLN 72 poor 17 84 20 - 6.3-9.0 HD2 LYS 73 - HG3 GLN 72 poor 16 81 20 - 5.6-8.2 HB ILE 76 - HG3 GLN 72 far 0 100 0 - 6.9-8.6 HB3 ARG 79 - HG3 GLN 72 far 0 96 0 - 8.5-12.3 HB2 ARG 79 - HG3 GLN 72 far 0 59 0 - 8.8-12.6 HD2 LYS 39 - HG3 GLN 72 far 0 96 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 9565 from cnoeabs.peaks (1.37, 2.54, 33.99 ppm; 5.39 A): 3 out of 5 assignments used, quality = 0.98: HG3 LYS 68 + HG3 GLN 72 OK 79 84 95 99 3.1-7.0 2.9/9563=68...(23) HB2 LEU 70 + HG3 GLN 72 OK 73 100 80 91 5.5-7.1 9576/3226=44...(12) QB ALA 71 + HG3 GLN 72 OK 65 65 100 99 3.1-4.3 7170/4.8=50...(17) QB ALA 67 - HG3 GLN 72 far 3 61 5 - 6.7-7.5 HG2 LYS 39 - HG3 GLN 72 far 0 77 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 9566 from cnoeabs.peaks (0.73, 2.54, 33.99 ppm; 5.81 A): 2 out of 10 assignments used, quality = 0.97: QG2 VAL 78 + HG3 GLN 72 OK 87 100 100 88 4.1-6.2 10850/3.9=36...(12) QG1 VAL 78 + HG3 GLN 72 OK 80 95 100 84 5.0-7.1 10850/3.9=29...(7) QD2 LEU 42 - HG3 GLN 72 poor 12 61 20 - 6.7-8.4 QD1 ILE 56 - HG3 GLN 72 lone 1 91 30 4 6.7-9.5 9536/3218=1, 9553/12175=1 QD1 LEU 64 - HG3 GLN 72 far 0 98 0 - 8.0-9.1 HG13 ILE 56 - HG3 GLN 72 far 0 97 0 - 8.2-11.9 QG1 VAL 54 - HG3 GLN 72 far 0 71 0 - 8.6-11.7 QD1 ILE 8 - HG3 GLN 72 far 0 93 0 - 9.3-11.0 QG1 VAL 58 - HG3 GLN 72 far 0 99 0 - 9.7-10.8 QD1 ILE 52 - HG3 GLN 72 far 0 70 0 - 10.0-13.7 Violated in 1 structures by 0.00 A. Peak 9567 from cnoeabs.peaks (1.61, 2.42, 33.99 ppm; 5.78 A): 4 out of 14 assignments used, quality = 1.00: HG3 LYS 73 + HG2 GLN 72 OK 95 95 100 100 3.3-6.0 10845/3.0=81...(15) HG2 LYS 68 + HG2 GLN 72 OK 78 82 95 100 3.9-8.6 ~9563=59, 4.0/12325=53...(24) HD2 LYS 68 + HG2 GLN 72 OK 60 63 95 99 4.1-7.7 ~9563=53, 5.3/12325=44...(23) HD3 LYS 68 + HG2 GLN 72 OK 55 65 85 100 5.5-8.5 ~9563=53, 5.3/12325=44...(25) HB ILE 76 - HG2 GLN 72 poor 16 79 20 - 6.8-9.1 HG LEU 103 - HG2 GLN 72 far 0 71 0 - 8.0-21.6 HB2 ARG 79 - HG2 GLN 72 far 0 96 0 - 8.4-14.1 HG3 LYS 47 - HG2 GLN 50 far 0 70 0 - 8.5-13.5 HG3 LYS 47 - HG3 GLN 50 far 0 97 0 - 9.1-13.4 HB3 ARG 79 - HG2 GLN 72 far 0 59 0 - 9.1-13.9 HD3 LYS 39 - HG2 GLN 72 far 0 84 0 - 9.3-12.3 HD2 LYS 39 - HG2 GLN 72 far 0 59 0 - 9.3-13.4 HB ILE 76 - HG3 GLN 50 far 0 74 0 - 9.7-14.7 HB ILE 76 - HG2 GLN 50 far 0 49 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 9568 from cnoeabs.peaks (1.40, 2.42, 33.99 ppm; 5.76 A): 2 out of 5 assignments used, quality = 0.99: QB ALA 71 + HG2 GLN 72 OK 98 98 100 100 3.1-5.2 7170/7174=94...(17) HB2 LEU 70 + HG2 GLN 72 OK 68 77 100 88 5.4-7.1 9576/7200=36...(10) HG13 ILE 76 - HG2 GLN 50 far 0 36 0 - 7.6-13.3 HG13 ILE 76 - HG3 GLN 50 far 0 57 0 - 7.7-13.7 HG13 ILE 76 - HG2 GLN 72 far 0 61 0 - 8.5-11.0 Violated in 0 structures by 0.00 A. Peak 9569 from cnoeabs.peaks (0.74, 2.42, 33.99 ppm; 5.59 A): 4 out of 15 assignments used, quality = 0.98: QG1 VAL 78 + HG2 GLN 72 OK 77 100 90 86 5.0-8.0 10847/7174=40...(6) QG2 VAL 78 + HG2 GLN 72 OK 75 93 95 85 4.2-7.4 9566/1.8=39...(8) QG2 ILE 52 + HG3 GLN 50 OK 45 57 95 83 4.3-7.3 ~10429=20, 10643/2.9=20...(13) QG2 ILE 52 + HG2 GLN 50 OK 30 36 100 84 3.7-6.5 ~10429=20, 10643/2.9=20...(15) QD2 LEU 42 - HG2 GLN 72 far 4 84 5 - 6.8-9.2 QD1 ILE 56 - HG2 GLN 72 far 4 71 5 - 6.9-10.5 HG13 ILE 56 - HG2 GLN 72 far 0 84 0 - 7.9-13.5 QD1 LEU 64 - HG2 GLN 72 far 0 100 0 - 8.0-10.4 QG1 VAL 54 - HG2 GLN 72 far 0 91 0 - 8.7-12.0 QD1 LEU 6 - HG2 GLN 72 far 0 77 0 - 9.5-12.9 QG1 VAL 78 - HG3 GLN 50 far 0 97 0 - 9.6-13.0 QG2 ILE 52 - HG2 GLN 72 far 0 61 0 - 9.6-15.6 QG1 VAL 78 - HG2 GLN 50 far 0 70 0 - 9.6-12.2 QD1 ILE 8 - HG2 GLN 72 far 0 75 0 - 9.6-11.5 QG1 VAL 58 - HG2 GLN 72 far 0 92 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 9580 from cnoeabs.peaks (4.04, 1.67, 28.90 ppm; 3.88 A): 8 out of 19 assignments used, quality = 1.00: HA LEU 70 + HD2 LYS 73 OK 89 96 100 93 2.4-4.4 10813/3.0=43...(16) HA LEU 70 + HD3 LYS 73 OK 88 95 100 93 3.3-4.6 10813/3.0=43...(14) HA LYS 20 + HD2 LYS 20 OK 62 66 95 100 4.0-5.5 848/2.8=47, 5.3=40...(99) HA LYS 20 + HD3 LYS 20 OK 61 68 90 100 4.2-5.5 848/2.8=47, 5.3=40...(99) HA GLU 17 + HD3 LYS 20 OK 59 67 100 88 1.8-4.4 894/2.8=26, 883/2.8=20...(29) HA GLU 17 + HD2 LYS 20 OK 57 65 100 88 1.8-3.6 894/2.8=26, 883/2.8=20...(31) HA GLU 16 + HD2 LYS 20 OK 51 71 90 81 3.6-6.0 848/2.8=18, 3.0/12058=18...(21) HA GLU 16 + HD3 LYS 20 OK 35 73 60 79 3.9-6.6 848/2.8=18, 850/1.8=15...(20) HA LYS 20 - HD3 LYS 24 far 0 53 0 - 6.0-9.4 HA LYS 20 - HD2 LYS 24 far 0 56 0 - 6.1-8.8 HA ARG 46 - HD3 LYS 47 far 0 26 0 - 6.8-8.2 HA GLU 95 - HB3 ARG 91 far 0 48 0 - 7.1-8.5 HA ARG 46 - HD2 LYS 47 far 0 27 0 - 7.2-8.6 HA GLU 17 - HD3 LYS 24 far 0 53 0 - 8.0-12.2 HB2 SER 49 - HD3 LYS 47 far 0 42 0 - 9.1-11.9 HA GLU 75 - HD3 LYS 73 far 0 67 0 - 9.1-9.7 HA GLU 75 - HD2 LYS 73 far 0 68 0 - 9.1-9.7 HA GLU 17 - HD2 LYS 24 far 0 55 0 - 9.2-12.8 HB2 SER 49 - HD2 LYS 47 far 0 43 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 9581 from cnoeabs.peaks (4.02, 1.60, 25.00 ppm; 5.31 A): 3 out of 11 assignments used, quality = 1.00: HA LEU 70 + HG3 LYS 73 OK 100 100 100 100 2.0-4.7 10813/1.8=94...(22) HA GLU 69 + HG3 LYS 73 OK 71 88 100 81 4.4-6.3 9578/7208=36...(13) HA GLU 17 + HG3 LYS 90 OK 38 39 100 98 3.7-6.1 2.9/12027=71...(21) HA GLU 16 - HG3 LYS 12 far 4 81 5 - 6.1-9.1 HA LYS 20 - HG2 LYS 24 far 3 62 5 - 6.7-7.8 HB3 SER 97 - HG2 LYS 24 far 0 62 0 - 7.2-9.7 HA LYS 20 - HG3 LYS 90 far 0 40 0 - 7.2-10.6 HA GLU 16 - HG3 LYS 90 far 0 50 0 - 7.2-10.2 HA GLU 75 - HG3 LYS 73 far 0 95 0 - 7.5-8.0 HA GLU 17 - HG3 LYS 12 far 0 67 0 - 8.5-12.2 HA GLU 17 - HG2 LYS 24 far 0 60 0 - 8.8-11.4 Violated in 0 structures by 0.00 A. Peak 9582 from cnoeabs.peaks (4.04, 1.96, 32.28 ppm; 3.35 A): 4 out of 14 assignments used, quality = 0.99: HA LEU 70 + HB2 LYS 73 OK 81 90 100 90 2.5-3.4 10815=31, 10813/2.9=28...(18) HA LEU 70 + HB3 LYS 73 OK 79 89 100 89 4.1-4.8 10815=30, 10813/2.9=28...(17) HA LYS 20 + HB3 LYS 20 OK 72 72 100 100 2.3-2.9 3.0=100 HA GLU 17 + HB3 LYS 20 OK 34 71 65 74 3.8-5.2 894/3.0=20, 860/1.8=19...(14) HA LYS 20 - HB2 LYS 24 poor 10 88 40 28 4.4-5.8 6372/4.0=21...(3) HA LYS 20 - HB3 LYS 24 poor 7 88 25 32 4.6-6.1 6372/4.0=21...(4) HA ARG 46 - HB2 LYS 47 far 0 62 0 - 5.4-6.6 HA GLU 16 - HB3 LYS 20 far 0 75 0 - 6.5-7.4 HB2 SER 49 - HB2 MET 1 far 0 51 0 - 7.2-14.4 HB2 SER 49 - HB2 LYS 47 far 0 85 0 - 7.2-9.5 HA GLU 17 - HB3 LYS 24 far 0 87 0 - 8.1-9.1 HA GLU 17 - HB2 LYS 24 far 0 87 0 - 8.1-9.3 HA LYS 66 - HB2 LYS 73 far 0 65 0 - 8.9-10.2 HA ARG 46 - HB2 LYS 73 far 0 73 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 9584 from cnoeabs.peaks (7.54, 2.06, 33.37 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.93: H ILE 76 + HB2 MET 74 OK 93 93 100 100 2.4-5.5 9583/7226=92, 9645=90...(16) Violated in 0 structures by 0.00 A. Peak 9585 from cnoeabs.peaks (8.20, 2.00, 17.28 ppm; 3.75 A): 1 out of 3 assignments used, quality = 1.00: H GLU 43 + QE MET 74 OK 100 100 100 100 3.1-4.0 12303=63, 6696/10280=51...(24) H LYS 68 - QE MET 74 far 0 98 0 - 7.1-9.8 H ASP 36 - QE MET 74 far 0 98 0 - 7.2-8.9 Violated in 5 structures by 0.04 A. Peak 9586 from cnoeabs.peaks (9.07, 2.00, 17.28 ppm; 5.87 A): 0 out of 0 assignments used, quality = 0.00: Peak 9587 from cnoeabs.peaks (7.95, 2.00, 17.28 ppm; 4.52 A): 2 out of 2 assignments used, quality = 0.98: H LEU 42 + QE MET 74 OK 98 98 100 100 4.0-5.0 6685/9585=69...(24) H LEU 70 + QE MET 74 OK 32 99 35 94 4.5-7.2 3.0/10282=59...(11) Violated in 4 structures by 0.03 A. Peak 9588 from cnoeabs.peaks (7.86, 2.00, 17.28 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.97: H LYS 73 + QE MET 74 OK 93 93 100 100 3.8-5.5 7213/3366=75...(19) H TYR 41 + QE MET 74 OK 63 63 100 99 5.3-6.3 4.6/9587=50...(19) Violated in 0 structures by 0.00 A. Peak 9589 from cnoeabs.peaks (7.60, 2.00, 17.28 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.97: H GLU 44 + QE MET 74 OK 89 100 90 99 5.3-6.4 6704/9585=79...(16) H LYS 40 + QE MET 74 OK 74 75 100 99 4.1-5.2 3.6/9609=74...(16) H GLU 48 - QE MET 74 far 0 97 0 - 8.5-10.3 Violated in 1 structures by 0.00 A. Peak 9594 from cnoeabs.peaks (1.42, 2.06, 33.37 ppm; 5.75 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 71 + HB2 MET 74 OK 99 99 100 100 4.2-6.2 ~9552=61, ~9613=60...(15) HG13 ILE 76 + HB2 MET 74 OK 95 95 100 100 2.5-4.8 1.8/9664=96, 4.5/9645=72...(27) HG3 LYS 39 + HB2 MET 74 OK 54 90 70 85 5.3-8.0 12073/4.2=71, ~12167=26...(7) HB2 LEU 38 - HB2 MET 74 far 0 65 0 - 8.4-10.7 HG13 ILE 52 - HB2 MET 74 far 0 61 0 - 8.8-13.2 Violated in 0 structures by 0.00 A. Peak 9595 from cnoeabs.peaks (1.08, 2.06, 33.37 ppm; 6.01 A): 1 out of 1 assignment used, quality = 1.00: HG12 ILE 76 + HB2 MET 74 OK 100 100 100 100 1.9-3.7 9664=96, 7256/9645=87...(28) Violated in 0 structures by 0.00 A. Peak 9596 from cnoeabs.peaks (0.81, 2.06, 33.37 ppm; 5.46 A): 2 out of 6 assignments used, quality = 0.99: QD1 ILE 76 + HB2 MET 74 OK 99 99 100 100 1.9-3.0 2.1/9664=92...(27) QD1 LEU 70 + HB2 MET 74 OK 20 100 35 57 6.3-8.1 9549/4.2=26, ~9614=14...(7) QD2 LEU 70 - HB2 MET 74 poor 17 100 25 68 6.1-8.4 9592/7226=35...(8) QG2 ILE 52 - HB2 MET 74 far 0 73 0 - 7.2-11.2 QD2 LEU 38 - HB2 MET 74 far 0 98 0 - 7.7-10.7 QG2 VAL 32 - HB2 MET 74 far 0 91 0 - 10.0-11.5 Violated in 0 structures by 0.00 A. Peak 9597 from cnoeabs.peaks (1.32, 2.62, 33.04 ppm; 5.30 A): 5 out of 11 assignments used, quality = 0.99: HB3 LEU 42 + HG3 MET 74 OK 91 91 100 100 2.6-4.5 ~9615=46, ~9605=46...(23) HB2 LYS 82 + HB VAL 58 OK 56 56 100 100 5.4-6.6 ~9759=74, ~10228=66...(18) QB ALA 67 + HB VAL 58 OK 55 61 100 89 5.0-6.4 9384/2.1=51, 9378/2.1=31...(14) HG2 LYS 39 + HG3 MET 74 OK 40 91 45 99 3.9-9.1 12072/3.4=71, ~12073=63...(14) HG12 ILE 8 + HB VAL 58 OK 32 32 100 100 4.0-5.8 ~9374=55, ~8300=53...(29) QB ALA 67 - HG3 MET 74 far 0 98 0 - 6.8-8.6 HG3 LYS 40 - HG3 MET 74 far 0 68 0 - 7.7-12.0 QB ALA 89 - HB VAL 58 far 0 60 0 - 7.8-8.5 HG3 LYS 68 - HG3 MET 74 far 0 85 0 - 9.1-11.6 HG3 LYS 68 - HB VAL 58 far 0 50 0 - 9.2-12.1 HG LEU 14 - HB VAL 58 far 0 49 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 9598 from cnoeabs.peaks (0.78, 2.62, 33.04 ppm; 4.31 A): 5 out of 19 assignments used, quality = 1.00: QD2 LEU 42 + HG3 MET 74 OK 96 97 100 99 3.9-5.0 10341/3.4=46...(19) QD1 ILE 76 + HG3 MET 74 OK 91 92 100 100 1.8-2.6 10880/1.8=39, ~9664=39...(30) QG2 ILE 8 + HB VAL 58 OK 65 65 100 100 2.3-3.9 8302/3.0=57, ~9374=44...(35) QG1 VAL 78 + HG3 MET 74 OK 38 68 100 56 3.6-5.6 10658/9552=37, ~9615=10...(6) QD1 LEU 64 + HB VAL 58 OK 25 32 80 95 5.0-6.1 ~10219=38, ~9382=29...(14) QD1 LEU 70 - HG3 MET 74 poor 17 68 25 - 5.1-6.9 QD2 LEU 70 - HG3 MET 74 far 8 82 10 - 5.7-7.2 QD1 LEU 6 - HG3 MET 74 far 0 99 0 - 6.3-10.0 QG1 VAL 54 - HG3 MET 74 far 0 93 0 - 6.4-7.8 QG2 ILE 7 - HB VAL 58 far 0 57 0 - 6.5-7.0 QD2 LEU 57 - HB VAL 58 far 0 60 0 - 7.0-7.4 QG2 ILE 52 - HG3 MET 74 far 0 100 0 - 7.2-11.1 QD1 ILE 15 - HB VAL 58 far 0 54 0 - 7.4-8.6 QD1 LEU 6 - HB VAL 58 far 0 63 0 - 7.9-10.0 HG13 ILE 15 - HB VAL 58 far 0 49 0 - 8.4-10.0 QD1 LEU 70 - HB VAL 58 far 0 37 0 - 8.6-10.7 QG2 ILE 15 - HB VAL 58 far 0 45 0 - 9.0-10.3 QD2 LEU 42 - HB VAL 58 far 0 61 0 - 9.5-10.6 QD2 LEU 70 - HB VAL 58 far 0 47 0 - 9.6-11.2 Violated in 0 structures by 0.00 A. Peak 9599 from cnoeabs.peaks (0.67, 2.62, 33.04 ppm; 3.87 A): 3 out of 15 assignments used, quality = 0.98: QD1 LEU 42 + HG3 MET 74 OK 93 95 100 98 1.8-4.1 9605/3.4=55, 9615/1.8=33...(25) QG2 VAL 58 + HB VAL 58 OK 66 66 100 100 2.1-2.1 2.1=100 QD1 ILE 8 + HB VAL 58 OK 33 33 100 99 2.9-4.2 2670/2.1=36, ~311=24...(34) QG2 VAL 54 - HG3 MET 74 far 0 95 0 - 5.9-7.0 QD2 LEU 14 - HB VAL 58 far 0 35 0 - 5.9-7.1 QD1 ILE 56 - HB VAL 58 far 0 36 0 - 6.1-8.2 QD1 ILE 52 - HG3 MET 74 far 0 88 0 - 6.6-8.9 QD1 ILE 56 - HG3 MET 74 far 0 65 0 - 6.6-8.4 QD1 LEU 14 - HB VAL 58 far 0 65 0 - 6.8-7.6 QD2 LEU 6 - HG3 MET 74 far 0 96 0 - 8.1-10.2 QD1 LEU 29 - HB VAL 58 far 0 57 0 - 8.5-10.9 QD2 LEU 6 - HB VAL 58 far 0 60 0 - 8.6-10.0 QD1 ILE 8 - HG3 MET 74 far 0 61 0 - 9.0-10.8 QD2 LEU 29 - HB VAL 58 far 0 45 0 - 9.0-10.9 QD1 LEU 42 - HB VAL 58 far 0 58 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9600 from cnoeabs.peaks (1.67, 2.00, 17.28 ppm; 3.80 A): 3 out of 15 assignments used, quality = 0.99: HD2 LYS 39 + QE MET 74 OK 94 98 100 95 3.8-5.3 3.0/12073=55...(15) HD3 LYS 39 + QE MET 74 OK 82 85 100 96 3.0-4.8 3.0/12073=55...(16) HD3 LYS 73 + QE MET 74 OK 21 100 55 37 4.6-6.9 3303/3366=13...(8) HG LEU 70 - QE MET 74 poor 18 73 25 - 4.4-7.0 HB ILE 76 - QE MET 74 poor 18 90 20 - 4.4-6.4 HD2 LYS 73 - QE MET 74 poor 18 100 45 39 4.5-6.6 3303/3366=13...(8) HB2 LYS 40 - QE MET 74 far 5 92 5 - 5.2-6.6 HB3 LYS 40 - QE MET 74 far 0 95 0 - 5.8-7.1 HD2 LYS 47 - QE MET 74 far 0 97 0 - 7.0-10.8 HD3 LYS 47 - QE MET 74 far 0 96 0 - 7.2-10.4 HG2 LYS 68 - QE MET 74 far 0 87 0 - 7.9-12.1 HD3 LYS 66 - QE MET 74 far 0 68 0 - 8.3-10.9 HB3 LEU 6 - QE MET 74 far 0 94 0 - 9.1-10.8 HD2 LYS 68 - QE MET 74 far 0 97 0 - 9.3-12.5 HD3 LYS 68 - QE MET 74 far 0 96 0 - 9.8-12.6 Violated in 1 structures by 0.01 A. Peak 9601 from cnoeabs.peaks (1.79, 2.00, 17.28 ppm; 3.37 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 39 + QE MET 74 OK 94 99 100 95 2.4-3.8 3.0/9609=44...(22) HB2 LEU 42 + QE MET 74 OK 91 92 100 99 2.6-3.6 3.1/9605=45...(35) HG3 ARG 46 + QE MET 74 OK 21 100 25 83 4.2-6.6 3.0/9608=39, 3.0/9607=31...(15) HG2 ARG 46 - QE MET 74 poor 19 61 40 75 3.9-6.3 3.0/9608=39, 3.0/9607=31...(14) HB VAL 78 - QE MET 74 far 0 100 0 - 7.0-8.9 HB2 LYS 66 - QE MET 74 far 0 91 0 - 8.1-11.0 HB ILE 56 - QE MET 74 far 0 87 0 - 8.7-11.6 Violated in 0 structures by 0.00 A. Peak 9602 from cnoeabs.peaks (1.44, 2.00, 17.28 ppm; 3.50 A): 3 out of 8 assignments used, quality = 1.00: HG3 LYS 39 + QE MET 74 OK 99 100 100 99 1.9-4.4 12073=72, 1.8/12072=43...(27) QB ALA 71 + QE MET 74 OK 32 82 45 87 3.4-5.6 2.1/12173=28, ~9552=19...(20) HG13 ILE 76 + QE MET 74 OK 24 100 25 95 4.1-5.9 1.8/9606=43, 2.1/9604=42...(23) HB2 LEU 38 - QE MET 74 far 0 94 0 - 5.1-7.4 HG LEU 38 - QE MET 74 far 0 90 0 - 5.3-8.3 HD2 LYS 40 - QE MET 74 far 0 82 0 - 6.1-8.4 HD3 LYS 40 - QE MET 74 far 0 81 0 - 6.4-8.3 HG13 ILE 52 - QE MET 74 far 0 92 0 - 9.1-12.2 Violated in 5 structures by 0.04 A. Peak 9603 from cnoeabs.peaks (1.32, 2.00, 17.28 ppm; 3.34 A): 2 out of 6 assignments used, quality = 0.98: HG2 LYS 39 + QE MET 74 OK 90 92 100 98 1.9-4.6 1.8/12073=55...(22) HB3 LEU 42 + QE MET 74 OK 84 90 95 99 3.6-4.8 3.1/9605=44...(30) QB ALA 67 - QE MET 74 far 0 98 0 - 5.8-7.6 HG3 LYS 40 - QE MET 74 far 0 70 0 - 6.1-7.9 HG3 LYS 68 - QE MET 74 far 0 87 0 - 8.1-12.1 HG12 ILE 8 - QE MET 74 far 0 61 0 - 10.0-12.0 Violated in 14 structures by 0.26 A. Peak 9604 from cnoeabs.peaks (0.80, 2.00, 17.28 ppm; 2.98 A): 3 out of 12 assignments used, quality = 0.98: QD1 ILE 76 + QE MET 74 OK 93 100 100 93 1.8-3.7 2.1/9606=27...(32) QD1 LEU 70 + QE MET 74 OK 51 92 75 74 3.1-5.2 4.0/10282=19...(23) QD2 LEU 70 + QE MET 74 OK 33 98 45 74 3.8-5.7 10822/9609=24...(17) QD2 LEU 42 - QE MET 74 far 8 79 10 - 4.0-5.4 QD2 LEU 38 - QE MET 74 far 0 82 0 - 5.3-7.7 QD1 LEU 6 - QE MET 74 far 0 85 0 - 5.9-8.8 QG1 VAL 54 - QE MET 74 far 0 70 0 - 6.2-7.9 QG2 VAL 32 - QE MET 74 far 0 65 0 - 7.1-8.4 QG2 ILE 52 - QE MET 74 far 0 95 0 - 7.8-10.1 QG2 ILE 8 - QE MET 74 far 0 99 0 - 8.9-11.2 QD2 LEU 103 - QE MET 74 far 0 75 0 - 9.0-18.7 QD2 LEU 2 - QE MET 74 far 0 98 0 - 9.6-13.3 Violated in 10 structures by 0.05 A. Peak 9605 from cnoeabs.peaks (0.68, 2.00, 17.28 ppm; 3.70 A): 1 out of 7 assignments used, quality = 0.98: QD1 LEU 42 + QE MET 74 OK 98 99 100 100 1.8-3.6 2.1/10340=52, 10342=44...(42) QG2 VAL 54 - QE MET 74 far 0 88 0 - 6.2-7.8 QD1 ILE 56 - QE MET 74 far 0 77 0 - 6.2-8.2 QD1 ILE 52 - QE MET 74 far 0 95 0 - 6.6-8.8 QD2 LEU 6 - QE MET 74 far 0 99 0 - 7.2-8.6 QD1 ILE 8 - QE MET 74 far 0 73 0 - 7.2-9.2 HG13 ILE 56 - QE MET 74 far 0 63 0 - 7.9-10.0 Violated in 0 structures by 0.00 A. Peak 9606 from cnoeabs.peaks (1.10, 2.00, 17.28 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.99: HG12 ILE 76 + QE MET 74 OK 99 99 100 100 3.4-4.7 9667/9605=60...(23) Violated in 3 structures by 0.01 A. Peak 9607 from cnoeabs.peaks (3.17, 2.00, 17.28 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.84: HD3 ARG 46 + QE MET 74 OK 84 85 100 99 2.3-5.1 1.8/9608=90...(13) Violated in 1 structures by 0.02 A. Peak 9608 from cnoeabs.peaks (3.33, 2.00, 17.28 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.93: HD2 ARG 46 + QE MET 74 OK 93 99 100 95 2.7-5.1 1.8/9607=63...(15) Violated in 7 structures by 0.20 A. Peak 9609 from cnoeabs.peaks (3.61, 2.00, 17.28 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 39 + QE MET 74 OK 100 100 100 100 1.8-3.3 8951=69, 3.9/12073=46...(29) Violated in 0 structures by 0.00 A. Peak 9610 from cnoeabs.peaks (3.87, 2.00, 17.28 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.99: HA GLU 43 + QE MET 74 OK 91 99 95 96 3.1-4.8 2.9/9585=46...(23) HA ALA 71 + QE MET 74 OK 71 79 100 90 1.9-4.7 10858/3366=25, 12173=22...(24) HA LYS 40 + QE MET 74 OK 62 99 85 74 3.5-5.3 6682/9585=21...(19) HA ALA 67 - QE MET 74 far 0 91 0 - 5.3-7.8 HA LEU 38 - QE MET 74 far 0 100 0 - 5.9-7.2 HA GLU 35 - QE MET 74 far 0 98 0 - 6.4-8.3 HB3 SER 49 - QE MET 74 far 0 94 0 - 7.8-12.8 HA GLU 63 - QE MET 74 far 0 59 0 - 9.7-13.0 Violated in 5 structures by 0.03 A. Peak 9611 from cnoeabs.peaks (3.85, 2.62, 33.04 ppm; 5.00 A): 2 out of 10 assignments used, quality = 1.00: HA ALA 71 + HG3 MET 74 OK 100 100 100 100 1.9-3.8 9552=100, 9613/1.8=75...(26) HA GLU 43 + HG3 MET 74 OK 63 71 100 88 3.3-6.3 ~9585=42, ~12303=28...(19) HA LYS 40 - HG3 MET 74 far 5 96 5 - 5.6-9.1 HA ALA 67 - HG3 MET 74 far 0 100 0 - 6.7-8.7 HA LEU 38 - HG3 MET 74 far 0 87 0 - 7.2-9.7 HB3 SER 49 - HG3 MET 74 far 0 100 0 - 7.5-13.6 HA ALA 67 - HB VAL 58 far 0 66 0 - 8.1-9.4 HA GLU 35 - HG3 MET 74 far 0 63 0 - 8.8-11.7 HA GLU 35 - HB VAL 58 far 0 35 0 - 9.1-10.6 HA LEU 38 - HB VAL 58 far 0 51 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 9612 from cnoeabs.peaks (4.16, 2.53, 33.04 ppm; 5.58 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 73 + HG2 MET 74 OK 99 99 100 100 4.7-6.6 3.6/7228=91...(15) HA GLN 72 + HG2 MET 74 OK 91 99 95 97 4.4-7.8 10848/7228=54...(10) HA LYS 47 - HG2 MET 74 far 0 92 0 - 9.1-12.6 Violated in 1 structures by 0.03 A. Peak 9613 from cnoeabs.peaks (3.84, 2.53, 33.04 ppm; 5.09 A): 1 out of 6 assignments used, quality = 0.99: HA ALA 71 + HG2 MET 74 OK 99 99 100 100 1.9-5.1 9552/1.8=83...(21) HA ALA 67 - HG2 MET 74 far 5 96 5 - 6.6-10.1 HA LYS 40 - HG2 MET 74 far 4 82 5 - 6.2-9.2 HA LYS 68 - HG2 MET 74 far 0 73 0 - 7.2-10.9 HB3 SER 49 - HG2 MET 74 far 0 93 0 - 8.1-15.1 HA LEU 38 - HG2 MET 74 far 0 65 0 - 8.3-9.8 Violated in 1 structures by 0.00 A. Peak 9614 from cnoeabs.peaks (0.80, 2.53, 33.04 ppm; 4.53 A): 4 out of 9 assignments used, quality = 1.00: QD1 ILE 76 + HG2 MET 74 OK 100 100 100 100 3.1-3.7 10880=51, 9604/3.4=44...(25) QD2 LEU 42 + HG2 MET 74 OK 71 79 90 100 4.8-6.1 2.1/9615=59, ~9605=43...(23) QD2 LEU 70 + HG2 MET 74 OK 65 98 75 88 4.9-7.7 ~10276=26, 9592/7228=25...(19) QD1 LEU 70 + HG2 MET 74 OK 50 92 70 77 5.4-7.0 ~10276=26, 9604/3.4=24...(15) QD2 LEU 38 - HG2 MET 74 far 0 82 0 - 6.7-9.9 QG1 VAL 54 - HG2 MET 74 far 0 70 0 - 7.2-8.9 QD1 LEU 6 - HG2 MET 74 far 0 85 0 - 7.4-10.9 QG2 ILE 52 - HG2 MET 74 far 0 95 0 - 7.9-12.3 QG2 VAL 32 - HG2 MET 74 far 0 65 0 - 9.2-10.9 Violated in 0 structures by 0.00 A. Peak 9615 from cnoeabs.peaks (0.69, 2.53, 33.04 ppm; 4.52 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 42 + HG2 MET 74 OK 99 100 100 100 2.5-4.6 9605/3.4=63, ~10340=38...(26) QG2 VAL 78 + HG2 MET 74 OK 27 84 70 46 5.2-8.2 9593/7228=15...(8) QD1 ILE 56 - HG2 MET 74 far 0 98 0 - 7.0-9.5 QD1 ILE 52 - HG2 MET 74 far 0 100 0 - 7.7-10.3 HG13 ILE 56 - HG2 MET 74 far 0 93 0 - 8.3-12.6 QD2 LEU 6 - HG2 MET 74 far 0 99 0 - 8.9-11.1 QD1 ILE 8 - HG2 MET 74 far 0 97 0 - 9.3-11.7 Violated in 1 structures by 0.00 A. Peak 9616 from cnoeabs.peaks (1.41, 4.00, 56.72 ppm; 5.77 A): 2 out of 3 assignments used, quality = 0.98: QB ALA 71 + HA GLU 75 OK 92 100 100 92 5.0-6.4 5.0/10833=42...(11) HG13 ILE 76 + HA GLU 75 OK 77 79 100 97 4.8-6.2 4.5/7248=87, 3.8/9624=34...(7) HB2 LEU 70 - HA GLU 75 far 0 59 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 9619 from cnoeabs.peaks (4.15, 4.00, 56.72 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.99: HA GLN 72 + HA GLU 75 OK 97 100 100 97 3.1-4.4 10833=59, 9650/7248=56...(14) HA LYS 73 + HA GLU 75 OK 74 88 100 84 5.0-5.8 3.6/9625=40, ~10855=30...(8) Violated in 0 structures by 0.00 A. Peak 9621 from cnoeabs.peaks (4.17, 2.17, 36.71 ppm; 5.44 A): 4 out of 9 assignments used, quality = 0.99: HA LYS 73 + HG3 GLU 75 OK 80 100 100 80 3.9-5.3 3.6/10864=36...(6) HA GLN 72 + HG3 GLU 75 OK 68 94 95 77 4.3-7.3 10833/4.0=43...(4) HA GLN 72 + HG2 GLU 75 OK 68 94 100 72 4.7-6.3 10833/4.0=43...(4) HA LYS 73 + HG2 GLU 75 OK 63 100 100 63 3.9-5.9 9618/5.0=29, 9619/4.0=23...(5) HA LYS 73 - HG2 GLU 43 far 0 46 0 - 8.4-11.6 HA LYS 47 - HG2 GLU 43 far 0 31 0 - 8.7-10.4 HA LYS 47 - HG3 GLU 75 far 0 79 0 - 9.5-13.6 HA GLN 72 - HG2 GLU 43 far 0 40 0 - 9.6-12.6 HA LYS 73 - HG3 GLU 35 far 0 49 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 9622 from cnoeabs.peaks (4.40, 2.17, 36.71 ppm; 5.58 A): 4 out of 10 assignments used, quality = 1.00: HA MET 74 + HG3 GLU 75 OK 96 100 100 96 3.5-4.3 10865=44, 3.0/10864=40...(11) HA MET 74 + HG2 GLU 75 OK 94 100 100 94 4.0-5.9 10865/1.8=44...(10) HA ILE 76 + HG2 GLU 75 OK 80 82 100 97 6.5-6.8 3.0/3401=40, 9624/4.0=31...(11) HA ILE 76 + HG3 GLU 75 OK 80 82 100 97 6.4-6.6 3.0/3401=41, 9624/4.0=31...(12) HA MET 74 - HG2 GLU 43 poor 16 46 35 - 4.9-8.2 HA ILE 76 - HG2 GLU 43 far 0 32 0 - 7.7-11.4 HA GLN 50 - HG2 GLU 75 far 0 100 0 - 9.0-14.5 HA GLN 50 - HG3 GLU 75 far 0 100 0 - 9.3-14.9 HA VAL 32 - HG3 GLU 35 far 0 47 0 - 9.6-11.2 HA VAL 32 - HG2 GLU 35 far 0 47 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 9623 from cnoeabs.peaks (4.39, 2.13, 27.12 ppm; 6.13 A): 2 out of 4 assignments used, quality = 0.99: HA MET 74 + HB2 GLU 75 OK 97 99 100 98 4.2-4.5 ~9625=49, 9624/2.9=46...(10) HA ILE 76 + HB2 GLU 75 OK 71 71 100 100 4.5-4.8 ~7248=75, ~3380=73...(13) HA GLN 50 - HB2 GLU 75 far 10 100 10 - 6.7-12.4 HA GLU 48 - HB2 GLU 75 far 0 71 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 9624 from cnoeabs.peaks (4.40, 4.00, 56.72 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: HA MET 74 + HA GLU 75 OK 98 100 100 98 5.2-5.2 3.0/9625=59, ~7231=50...(11) HA ILE 76 + HA GLU 75 OK 87 87 100 100 4.4-4.7 3.0/7248=95, ~7247=51...(14) HA GLN 50 - HA GLU 75 far 0 100 0 - 8.1-13.4 Violated in 0 structures by 0.00 A. Peak 9625 from cnoeabs.peaks (7.75, 4.00, 56.72 ppm; 4.92 A): 2 out of 3 assignments used, quality = 1.00: H MET 74 + HA GLU 75 OK 100 100 100 100 4.3-4.9 7231/2.9=89...(15) H VAL 78 + HA GLU 75 OK 21 100 45 46 6.1-7.1 9643/7248=32, 9683/9616=19 H SER 49 - HA GLU 75 far 0 87 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 9626 from cnoeabs.peaks (7.75, 0.88, 17.57 ppm; 4.98 A): 3 out of 3 assignments used, quality = 1.00: H VAL 78 + QG2 ILE 76 OK 100 100 100 100 3.7-4.4 10898=95, 7274/9676=76...(18) H SER 49 + QG2 ILE 76 OK 84 87 100 97 3.6-6.3 3.9/9065=52, 3.9/9071=44...(14) H MET 74 + QG2 ILE 76 OK 70 100 70 100 6.2-6.5 9583/7255=64...(18) Violated in 0 structures by 0.00 A. Peak 9627 from cnoeabs.peaks (8.04, 0.88, 17.57 ppm; 5.53 A): 2 out of 5 assignments used, quality = 0.97: H ARG 46 + QG2 ILE 76 OK 91 91 100 100 3.1-4.4 9630/3452=83...(25) H GLU 75 + QG2 ILE 76 OK 71 73 100 97 5.7-5.9 4.6/7255=77, 4.3/9654=30...(11) H LYS 39 - QG2 ILE 76 far 0 59 0 - 8.5-9.9 H SER 102 - QG2 ILE 76 far 0 96 0 - 9.3-11.5 H GLY 101 - QG2 ILE 76 far 0 91 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 9628 from cnoeabs.peaks (8.50, 0.88, 17.57 ppm; 4.95 A): 3 out of 5 assignments used, quality = 1.00: H VAL 54 + QG2 ILE 76 OK 97 98 100 100 4.1-5.4 6897/11070=80...(17) H ARG 79 + QG2 ILE 76 OK 83 100 85 98 5.9-6.7 4.4/10287=52...(11) H LYS 53 + QG2 ILE 76 OK 59 65 100 90 4.9-6.0 3.0/9636=61...(13) H ASN 51 - QG2 ILE 76 far 0 75 0 - 6.6-7.5 H LEU 2 - QG2 ILE 76 far 0 100 0 - 7.5-9.9 Violated in 0 structures by 0.00 A. Peak 9629 from cnoeabs.peaks (8.78, 0.88, 17.57 ppm; 5.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 9630 from cnoeabs.peaks (8.03, 0.80, 13.65 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.99: H ARG 46 + QD1 ILE 76 OK 99 99 100 100 2.3-3.6 3.0/9639=70...(30) Violated in 0 structures by 0.00 A. Peak 9631 from cnoeabs.peaks (8.37, 1.09, 26.75 ppm; 5.75 A): 2 out of 2 assignments used, quality = 0.93: H ILE 93 + HG2 ARG 91 OK 92 95 100 97 5.9-7.0 7472/7459=78...(5) H GLU 95 + HG2 ARG 91 OK 21 94 55 40 6.6-8.2 7524/4.0=38, 7534/3435=1 Violated in 9 structures by 0.27 A. Peak 9632 from cnoeabs.peaks (6.66, 0.88, 17.57 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: QD PHE 45 + QG2 ILE 76 OK 100 100 100 100 2.8-4.4 9222/11070=83...(19) Violated in 0 structures by 0.00 A. Peak 9635 from cnoeabs.peaks (5.18, 0.88, 17.57 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: HA VAL 78 + QG2 ILE 76 OK 98 98 100 100 3.9-4.9 3.0/10287=68...(22) HA VAL 54 + QG2 ILE 76 OK 90 91 100 100 5.1-6.1 3.2/11070=88...(17) HA TYR 4 - QG2 ILE 76 far 0 63 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 9636 from cnoeabs.peaks (5.04, 0.88, 17.57 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.98: HA LYS 53 + QG2 ILE 76 OK 98 99 100 99 3.7-5.2 9200/11070=80...(13) Violated in 0 structures by 0.00 A. Peak 9637 from cnoeabs.peaks (4.55, 0.88, 17.57 ppm; 5.17 A): 2 out of 2 assignments used, quality = 0.98: HA ASP 77 + QG2 ILE 76 OK 90 90 100 100 3.9-4.3 3.0/7264=90, 9676=85...(29) HA PHE 45 + QG2 ILE 76 OK 82 82 100 99 4.1-6.0 3.7/9632=58...(18) Violated in 0 structures by 0.00 A. Peak 9638 from cnoeabs.peaks (4.05, 0.88, 17.57 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.97: HA ARG 46 + QG2 ILE 76 OK 89 90 100 100 2.1-4.2 9025=70, 9639/3452=51...(28) HB2 SER 49 + QG2 ILE 76 OK 69 100 70 99 4.1-7.7 9065=76, 1.8/9071=48...(23) HA LEU 70 - QG2 ILE 76 far 0 73 0 - 8.5-9.4 Violated in 0 structures by 0.00 A. Peak 9639 from cnoeabs.peaks (4.08, 0.80, 13.65 ppm; 3.93 A): 1 out of 2 assignments used, quality = 1.00: HA ARG 46 + QD1 ILE 76 OK 100 100 100 100 2.6-4.3 3.0/9630=52, 9025/3.2=44...(30) HB2 SER 49 - QD1 ILE 76 far 0 95 0 - 5.7-9.6 Violated in 4 structures by 0.05 A. Peak 9640 from cnoeabs.peaks (4.04, 1.09, 26.75 ppm; 5.78 A): 3 out of 6 assignments used, quality = 0.94: HA ARG 46 + HG12 ILE 76 OK 69 70 100 100 4.0-5.9 ~9630=68, 4.1/10176=67...(22) HA GLU 75 + HG12 ILE 76 OK 59 59 100 100 4.2-4.9 3.5/7256=95, 2.9/9663=35...(12) HB2 SER 49 + HG12 ILE 76 OK 51 94 55 99 6.3-11.6 9065/3.2=66, ~9071=51...(18) HA LEU 70 - HG12 ILE 76 far 0 92 0 - 7.3-8.7 HA GLU 95 - HG2 ARG 91 far 0 88 0 - 8.6-10.8 HA GLU 17 - HG2 ARG 91 far 0 92 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 9642 from cnoeabs.peaks (6.64, 0.80, 13.65 ppm; 4.61 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 45 + QD1 ILE 76 OK 96 98 100 98 2.9-5.0 9632/3452=49...(19) Violated in 4 structures by 0.06 A. Peak 9646 from cnoeabs.peaks (0.70, 1.64, 40.34 ppm; 3.98 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 42 + HB ILE 76 OK 98 99 100 99 3.6-5.2 9667/3.0=53...(30) QG2 VAL 78 + HB ILE 76 OK 87 90 100 97 4.0-4.7 ~10906=37, ~10287=35...(21) QD1 ILE 52 + HB ILE 76 OK 60 100 70 86 4.3-7.1 10640/2.1=36...(17) QD1 ILE 56 - HB ILE 76 far 0 99 0 - 5.7-7.9 HG13 ILE 56 - HB ILE 76 far 0 96 0 - 7.2-9.8 QD2 LEU 6 - HB ILE 76 far 0 98 0 - 7.3-8.7 QD1 ILE 8 - HB ILE 76 far 0 99 0 - 9.9-11.0 Violated in 1 structures by 0.00 A. Peak 9648 from cnoeabs.peaks (3.83, 1.64, 40.34 ppm; 4.75 A): 1 out of 6 assignments used, quality = 0.95: HA ALA 71 + HB ILE 76 OK 95 96 100 100 3.1-4.3 2.1/10834=70...(24) HB3 SER 49 - HB ILE 76 poor 16 82 20 - 6.0-11.4 HA LYS 68 - HB ILE 76 far 0 87 0 - 7.6-8.7 HA ALA 67 - HB ILE 76 far 0 87 0 - 8.6-9.9 HA LYS 40 - HB ILE 76 far 0 68 0 - 9.0-10.8 HA2 GLY 101 - HB ILE 76 far 0 65 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 9651 from cnoeabs.peaks (3.85, 0.88, 17.57 ppm; 4.34 A): 3 out of 8 assignments used, quality = 1.00: HA ALA 71 + QG2 ILE 76 OK 99 100 100 100 4.5-5.5 9648/2.1=51...(25) HB3 SER 49 + QG2 ILE 76 OK 79 100 80 99 3.2-7.5 1.8/9065=62, 9071=57...(25) HA GLU 43 + QG2 ILE 76 OK 67 73 100 92 4.2-5.8 12084/9019=25...(25) HA LYS 40 - QG2 ILE 76 far 0 97 0 - 7.6-9.1 HA2 GLY 101 - QG2 ILE 76 far 0 96 0 - 7.7-11.8 HA LEU 38 - QG2 ILE 76 far 0 88 0 - 8.2-9.8 HA ALA 67 - QG2 ILE 76 far 0 100 0 - 8.6-9.9 HA2 GLY 100 - QG2 ILE 76 far 0 96 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 9652 from cnoeabs.peaks (3.19, 0.88, 17.57 ppm; 5.20 A): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 46 + QG2 ILE 76 OK 100 100 100 100 4.1-6.0 9020/3452=80...(29) HB2 ASP 77 + QG2 ILE 76 OK 98 98 100 100 3.6-4.8 7269/7264=81...(20) Violated in 0 structures by 0.00 A. Peak 9653 from cnoeabs.peaks (3.00, 0.88, 17.57 ppm; 5.14 A): 2 out of 4 assignments used, quality = 0.99: HB2 PHE 45 + QG2 ILE 76 OK 97 98 100 100 2.0-4.4 2.5/9632=69, ~9642=46...(23) HB3 PHE 45 + QG2 ILE 76 OK 79 79 100 100 2.0-4.7 2.5/9632=69, ~9642=46...(24) HE3 LYS 47 - QG2 ILE 76 far 0 90 0 - 7.8-10.9 HE2 LYS 47 - QG2 ILE 76 far 0 90 0 - 8.0-10.7 Violated in 0 structures by 0.00 A. Peak 9654 from cnoeabs.peaks (1.93, 0.88, 17.57 ppm; 4.16 A): 3 out of 9 assignments used, quality = 0.95: HB3 ARG 46 + QG2 ILE 76 OK 79 79 100 100 2.0-5.6 3.0/9025=50, 3.6/9019=36...(36) HB3 MET 74 + QG2 ILE 76 OK 69 73 95 99 4.2-5.7 ~9664=37, 4.2/10868=35...(33) HG LEU 42 + QG2 ILE 76 OK 28 70 40 99 5.0-6.6 3.0/10883=51, ~10599=35...(31) HB2 GLU 43 - QG2 ILE 76 far 0 87 0 - 6.3-7.8 HB2 LYS 47 - QG2 ILE 76 far 0 61 0 - 6.3-8.8 HB3 LYS 47 - QG2 ILE 76 far 0 100 0 - 6.5-9.3 HB2 LYS 73 - QG2 ILE 76 far 0 82 0 - 8.3-8.8 HB3 LYS 73 - QG2 ILE 76 far 0 84 0 - 9.0-9.7 HB2 MET 1 - QG2 ILE 76 far 0 99 0 - 9.5-11.2 Violated in 5 structures by 0.07 A. Peak 9655 from cnoeabs.peaks (1.78, 0.88, 17.57 ppm; 4.38 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 78 + QG2 ILE 76 OK 100 100 100 100 4.3-4.8 10287=75, 2.1/10906=58...(25) HG3 ARG 46 + QG2 ILE 76 OK 99 99 100 100 2.6-5.7 9021/3.2=62...(35) HB2 LEU 42 + QG2 ILE 76 OK 79 79 100 100 3.7-5.2 1.8/10883=69, ~10286=44...(35) HB2 LYS 39 - QG2 ILE 76 far 0 92 0 - 7.8-9.8 HB ILE 56 - QG2 ILE 76 far 0 96 0 - 8.3-10.1 HB2 GLU 28 - QG2 ILE 76 far 0 65 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 9657 from cnoeabs.peaks (3.21, 1.64, 40.34 ppm; 5.81 A): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 77 + HB ILE 76 OK 100 100 100 100 5.6-6.7 7269/7263=90...(16) HD3 ARG 46 + HB ILE 76 OK 98 98 100 100 5.2-7.1 9020/3.2=88, ~9019=68...(27) Violated in 2 structures by 0.00 A. Peak 9659 from cnoeabs.peaks (1.95, 1.64, 40.34 ppm; 4.91 A): 3 out of 8 assignments used, quality = 0.99: HB3 MET 74 + HB ILE 76 OK 96 96 100 100 3.9-5.8 ~9664=54, ~9595=38...(31) HB3 ARG 46 + HB ILE 76 OK 54 98 55 100 4.2-7.4 ~9025=43, ~9639=41...(34) HB2 ARG 46 + HB ILE 76 OK 45 82 55 100 4.3-7.5 ~9025=43, ~9639=41...(34) HB2 LYS 73 - HB ILE 76 far 0 99 0 - 7.9-8.5 HB3 LYS 73 - HB ILE 76 far 0 99 0 - 9.0-9.8 QE MET 1 - HB ILE 76 far 0 79 0 - 9.3-11.6 HB2 LYS 47 - HB ILE 76 far 0 91 0 - 9.6-12.3 HB3 LYS 47 - HB ILE 76 far 0 88 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 9660 from cnoeabs.peaks (1.78, 1.64, 40.34 ppm; 5.06 A): 3 out of 5 assignments used, quality = 1.00: HB VAL 78 + HB ILE 76 OK 100 100 100 100 4.7-5.2 10287/2.1=80...(16) HB2 LEU 42 + HB ILE 76 OK 79 79 100 100 4.0-5.5 1.8/10884=70, ~10883=63...(29) HG3 ARG 46 + HB ILE 76 OK 45 99 45 100 4.5-7.5 9021/3.2=78...(32) HB2 LYS 39 - HB ILE 76 far 0 92 0 - 7.8-10.2 HB ILE 56 - HB ILE 76 far 0 96 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 9661 from cnoeabs.peaks (4.05, 1.64, 40.34 ppm; 6.13 A): 2 out of 3 assignments used, quality = 0.87: HA ARG 46 + HB ILE 76 OK 81 81 100 100 4.6-6.7 9025/2.1=62, ~9630=61...(22) HB2 SER 49 + HB ILE 76 OK 34 98 35 100 6.5-11.4 9065/2.1=78, ~9071=65...(20) HA LEU 70 - HB ILE 76 far 0 84 0 - 7.9-8.9 Violated in 1 structures by 0.03 A. Peak 9663 from cnoeabs.peaks (2.18, 1.09, 26.75 ppm; 5.21 A): 3 out of 10 assignments used, quality = 0.99: HB3 GLU 75 + HG12 ILE 76 OK 92 100 100 92 5.1-5.9 4.1/7256=79, 9888/1.8=40...(4) HG3 GLU 75 + HG12 ILE 76 OK 75 99 100 75 5.1-5.9 3401/7256=34, ~9888=26...(6) HG2 GLU 75 + HG12 ILE 76 OK 44 99 65 68 5.3-6.8 3401/7256=33, ~9888=26...(6) HG2 GLU 43 - HG12 ILE 76 far 15 100 15 - 5.0-8.6 HG2 GLU 104 - HG2 ARG 91 far 6 61 10 - 6.1-19.8 HG3 PRO 86 - HG2 ARG 91 far 0 92 0 - 6.7-7.8 HB2 GLU 95 - HG2 ARG 91 far 0 82 0 - 7.1-9.3 HB2 GLN 72 - HG12 ILE 76 far 0 93 0 - 7.4-8.9 HB3 GLN 50 - HG12 ILE 76 far 0 99 0 - 8.3-13.5 HB3 GLU 95 - HG2 ARG 91 far 0 80 0 - 8.4-10.9 Violated in 0 structures by 0.00 A. Peak 9664 from cnoeabs.peaks (2.05, 1.09, 26.75 ppm; 4.39 A): 1 out of 9 assignments used, quality = 0.97: HB2 MET 74 + HG12 ILE 76 OK 97 98 100 100 1.9-3.7 9645/7256=53...(28) HB3 LYS 94 - HG2 ARG 91 far 4 75 5 - 5.2-9.1 HB3 GLU 43 - HG12 ILE 76 far 0 96 0 - 6.8-8.5 HB3 GLU 88 - HG2 ARG 91 far 0 73 0 - 6.9-8.1 HB2 MET 21 - HG2 ARG 91 far 0 96 0 - 7.1-9.2 HG12 ILE 93 - HG2 ARG 91 far 0 92 0 - 8.4-10.6 HB3 LEU 38 - HG12 ILE 76 far 0 88 0 - 8.6-12.2 HB2 GLN 50 - HG12 ILE 76 far 0 84 0 - 8.6-13.5 HB3 GLU 48 - HG12 ILE 76 far 0 100 0 - 9.0-12.5 Violated in 0 structures by 0.00 A. Peak 9665 from cnoeabs.peaks (1.96, 1.09, 26.75 ppm; 4.14 A): 3 out of 10 assignments used, quality = 1.00: HB3 MET 74 + HG12 ILE 76 OK 100 100 100 100 1.8-3.5 1.8/9664=70, 4.2/9606=41...(30) HB3 ARG 46 + HG12 ILE 76 OK 95 100 95 100 3.4-5.8 3.0/10176=41, ~9639=38...(32) HB2 ARG 46 + HG12 ILE 76 OK 67 96 70 100 2.7-6.2 3.0/10176=41, ~9639=38...(33) HB2 LYS 94 - HG2 ARG 91 far 3 57 5 - 5.0-8.6 HB2 LYS 73 - HG12 ILE 76 far 0 100 0 - 6.2-7.3 HB2 GLU 17 - HG2 ARG 91 far 0 87 0 - 6.5-9.8 HG3 GLU 88 - HG2 ARG 91 far 0 89 0 - 6.9-9.3 HB3 LYS 73 - HG12 ILE 76 far 0 100 0 - 7.1-8.2 HB2 LYS 47 - HG12 ILE 76 far 0 99 0 - 8.8-11.9 HB3 LYS 47 - HG12 ILE 76 far 0 68 0 - 9.3-11.3 Violated in 0 structures by 0.00 A. Peak 9666 from cnoeabs.peaks (1.80, 1.09, 26.75 ppm; 4.78 A): 5 out of 10 assignments used, quality = 1.00: HB2 LEU 42 + HG12 ILE 76 OK 100 100 100 100 4.2-5.6 3.1/9667=75, ~10286=67...(30) HG3 ARG 46 + HG12 ILE 76 OK 96 96 100 100 2.4-5.9 9021/2.1=82, 10176=68...(33) HG2 ARG 46 + HG12 ILE 76 OK 88 88 100 100 3.2-6.2 9023/2.1=71...(30) HB2 LYS 90 + HG2 ARG 91 OK 71 94 80 94 3.8-7.1 4.1/7444=57, 3.6/4039=28...(16) HB3 LYS 90 + HG2 ARG 91 OK 43 66 70 93 4.6-6.7 4.1/7444=57, 3.6/4039=28...(14) HB2 GLU 104 - HG2 ARG 91 far 5 95 5 - 6.1-20.0 HB2 GLU 88 - HG2 ARG 91 far 0 95 0 - 6.3-8.1 HB ILE 93 - HG2 ARG 91 far 0 96 0 - 6.6-8.3 HB VAL 78 - HG12 ILE 76 far 0 90 0 - 6.8-7.8 HB2 LYS 39 - HG12 ILE 76 far 0 100 0 - 7.4-9.6 Violated in 0 structures by 0.00 A. Peak 9667 from cnoeabs.peaks (0.69, 1.09, 26.75 ppm; 4.15 A): 1 out of 11 assignments used, quality = 0.99: QD1 LEU 42 + HG12 ILE 76 OK 99 100 100 99 4.2-5.5 9605/9606=44...(33) QD1 ILE 52 - HG12 ILE 76 poor 20 100 20 - 5.0-7.8 QG2 VAL 78 - HG12 ILE 76 poor 17 70 25 - 5.2-6.5 QG2 VAL 54 - HG12 ILE 76 poor 14 71 20 - 5.4-6.3 QD1 LEU 14 - HG2 ARG 91 far 0 94 0 - 7.6-8.4 QD1 ILE 56 - HG12 ILE 76 far 0 92 0 - 7.6-9.2 QD2 LEU 6 - HG12 ILE 76 far 0 100 0 - 8.5-10.2 HG13 ILE 56 - HG12 ILE 76 far 0 82 0 - 9.2-11.7 QG1 VAL 5 - HG2 ARG 91 far 0 53 0 - 9.4-10.6 QD1 LEU 29 - HG2 ARG 91 far 0 63 0 - 9.5-12.5 QD2 LEU 14 - HG2 ARG 91 far 0 84 0 - 9.8-10.5 Violated in 20 structures by 0.68 A. Peak 9668 from cnoeabs.peaks (3.86, 0.80, 13.65 ppm; 4.29 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 71 + QD1 ILE 76 OK 96 97 100 99 2.9-3.8 10837/2.1=54...(24) HA GLU 43 + QD1 ILE 76 OK 87 88 100 99 2.3-3.4 10171/9020=42...(30) HB3 SER 49 + QD1 ILE 76 OK 73 100 75 97 4.7-9.3 9071/3.2=41, ~9065=31...(23) HA LYS 40 - QD1 ILE 76 far 15 100 15 - 5.4-6.7 HA LEU 38 - QD1 ILE 76 far 0 97 0 - 6.6-7.8 HA ALA 67 - QD1 ILE 76 far 0 100 0 - 7.2-8.3 HA GLU 35 - QD1 ILE 76 far 0 82 0 - 8.9-10.5 Violated in 0 structures by 0.00 A. Peak 9669 from cnoeabs.peaks (2.97, 0.80, 13.65 ppm; 3.77 A): 2 out of 6 assignments used, quality = 0.97: HB3 PHE 45 + QD1 ILE 76 OK 84 100 90 93 2.3-5.5 2.5/9642=47, 4.5/9630=34...(21) HB2 PHE 45 + QD1 ILE 76 OK 82 99 90 93 2.0-5.7 2.5/9642=47, 4.5/9630=34...(21) HE3 LYS 47 - QD1 ILE 76 far 0 100 0 - 7.0-9.9 HE2 LYS 47 - QD1 ILE 76 far 0 100 0 - 7.3-9.6 HE2 LYS 73 - QD1 ILE 76 far 0 91 0 - 7.4-10.4 HE3 LYS 73 - QD1 ILE 76 far 0 84 0 - 7.4-10.4 Violated in 4 structures by 0.04 A. Peak 9670 from cnoeabs.peaks (1.97, 0.80, 13.65 ppm; 3.41 A): 4 out of 11 assignments used, quality = 1.00: HB2 ARG 46 + QD1 ILE 76 OK 99 100 100 99 1.9-4.4 3.0/9639=44, 3.0/9021=39...(37) HB3 ARG 46 + QD1 ILE 76 OK 97 98 100 99 1.8-4.4 3.0/9639=44, 3.0/9021=39...(35) HB3 MET 74 + QD1 ILE 76 OK 96 99 100 97 1.8-3.0 ~9664=31, 2.9/10880=22...(32) QE MET 74 + QD1 ILE 76 OK 74 77 100 96 1.8-3.7 9604=36, 9606/2.1=27...(33) HB2 GLU 44 - QD1 ILE 76 far 0 79 0 - 5.7-7.0 HB3 GLU 44 - QD1 ILE 76 far 0 79 0 - 5.9-7.6 HB2 LYS 73 - QD1 ILE 76 far 0 97 0 - 6.0-6.6 HB2 LYS 47 - QD1 ILE 76 far 0 100 0 - 6.1-8.8 HB3 LYS 73 - QD1 ILE 76 far 0 96 0 - 6.8-7.5 QE MET 1 - QD1 ILE 76 far 0 100 0 - 9.0-11.0 HB2 GLU 37 - QD1 ILE 76 far 0 100 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 9672 from cnoeabs.peaks (4.42, 3.21, 40.23 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.99: HA ILE 76 + HB2 ASP 77 OK 99 99 100 100 4.3-5.7 10770/1.8=90...(10) HA GLN 50 - HB2 ASP 77 far 9 90 10 - 5.4-8.8 HA HIS 106 - HB2 ASP 77 far 0 98 0 - 8.8-22.3 HA GLU 48 - HB2 ASP 77 far 0 99 0 - 9.8-12.9 Violated in 9 structures by 0.23 A. Peak 9673 from cnoeabs.peaks (5.02, 3.21, 40.23 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.89: HA LYS 53 + HB2 ASP 77 OK 89 91 100 98 2.1-4.6 9678/1.8=62...(15) Violated in 1 structures by 0.01 A. Peak 9674 from cnoeabs.peaks (1.44, 3.21, 40.23 ppm; 4.36 A): 4 out of 6 assignments used, quality = 0.99: HD2 LYS 53 + HB2 ASP 77 OK 89 93 100 96 2.0-4.6 3.6/10892=40...(15) HG2 LYS 53 + HB2 ASP 77 OK 78 88 90 98 2.8-6.2 3.9/9673=53...(16) HG3 LYS 53 + HB2 ASP 77 OK 63 81 80 97 4.2-7.1 3.9/9673=53...(14) HG13 ILE 52 + HB2 ASP 77 OK 25 95 45 58 4.1-8.5 ~12317=16, 3.0/10893=12...(14) QB ALA 71 - HB2 ASP 77 far 0 77 0 - 6.6-7.4 HG13 ILE 76 - HB2 ASP 77 far 0 100 0 - 6.6-8.2 Violated in 0 structures by 0.00 A. Peak 9675 from cnoeabs.peaks (1.44, 4.57, 54.07 ppm; 5.10 A): 3 out of 6 assignments used, quality = 0.96: HD2 LYS 53 + HA ASP 77 OK 79 93 100 85 4.1-5.4 9674/3.0=28, ~12122=22...(12) QB ALA 71 + HA ASP 77 OK 70 77 100 91 4.8-5.7 9683/7274=65...(7) HG2 LYS 53 + HA ASP 77 OK 29 88 35 94 5.4-8.0 ~10892=37, 12122/3.0=35...(15) HG13 ILE 52 - HA ASP 77 far 14 95 15 - 5.5-10.2 HG3 LYS 53 - HA ASP 77 far 0 81 0 - 6.6-8.1 HG13 ILE 76 - HA ASP 77 far 0 100 0 - 6.7-6.8 Violated in 0 structures by 0.00 A. Peak 9676 from cnoeabs.peaks (0.87, 4.57, 54.07 ppm; 4.55 A): 1 out of 4 assignments used, quality = 0.99: QG2 ILE 76 + HA ASP 77 OK 99 99 100 100 3.9-4.3 7264/3.0=77...(29) QD1 LEU 103 - HA ASP 77 far 0 99 0 - 6.2-14.2 QD1 LEU 2 - HA ASP 77 far 0 99 0 - 8.3-10.2 QD1 LEU 38 - HA ASP 77 far 0 97 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 9677 from cnoeabs.peaks (0.75, 4.57, 54.07 ppm; 4.60 A): 3 out of 7 assignments used, quality = 1.00: QG1 VAL 78 + HA ASP 77 OK 100 100 100 100 3.6-3.9 4.0/7274=78, 2.1/8181=68...(13) QG2 VAL 78 + HA ASP 77 OK 83 84 100 100 4.3-4.8 4.0/7274=78, 8181=73...(11) QG2 ILE 52 + HA ASP 77 OK 20 75 45 60 4.5-8.2 12317/3.0=16, ~10897=15...(13) QD2 LEU 42 - HA ASP 77 far 0 93 0 - 6.2-8.4 QG1 VAL 54 - HA ASP 77 far 0 97 0 - 6.6-7.8 HG13 ILE 56 - HA ASP 77 far 0 71 0 - 9.0-11.5 QD1 LEU 6 - HA ASP 77 far 0 88 0 - 9.0-12.2 Violated in 0 structures by 0.00 A. Peak 9678 from cnoeabs.peaks (5.04, 2.63, 40.23 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.98: HA LYS 53 + HB3 ASP 77 OK 98 100 100 98 2.2-4.9 9673/1.8=70...(15) Violated in 5 structures by 0.07 A. Peak 9679 from cnoeabs.peaks (8.47, 3.21, 40.23 ppm; 5.91 A): 3 out of 4 assignments used, quality = 1.00: H LYS 53 + HB2 ASP 77 OK 100 100 100 100 4.5-6.6 3.0/9673=94, ~9678=73...(13) H VAL 54 + HB2 ASP 77 OK 93 93 100 100 3.8-6.0 3.6/9673=88, 9242=88...(15) H ARG 79 + HB2 ASP 77 OK 51 81 75 84 6.6-8.1 10331/3.0=57...(8) H LEU 2 - HB2 ASP 77 far 0 61 0 - 7.6-9.5 Violated in 0 structures by 0.00 A. Peak 9680 from cnoeabs.peaks (8.48, 2.63, 40.23 ppm; 5.00 A): 3 out of 5 assignments used, quality = 1.00: H VAL 54 + HB3 ASP 77 OK 99 100 100 100 3.9-6.5 9242/1.8=84...(15) H ALA 67 + HB3 ASP 65 OK 99 99 100 100 5.3-6.2 7077/7067=89...(20) H LYS 53 + HB3 ASP 77 OK 60 94 65 98 4.1-7.0 3.0/9678=76, ~9673=57...(11) H ARG 79 - HB3 ASP 77 far 0 97 0 - 7.0-8.1 H LEU 2 - HB3 ASP 77 far 0 87 0 - 7.0-10.8 Violated in 2 structures by 0.02 A. Peak 9682 from cnoeabs.peaks (4.55, 1.78, 35.29 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.89: HA ASP 77 + HB VAL 78 OK 89 90 100 100 5.7-5.9 7274/7278=84...(9) HA PHE 45 - HB VAL 78 far 0 82 0 - 8.6-11.4 Violated in 20 structures by 0.83 A. Peak 9685 from cnoeabs.peaks (1.40, 1.78, 35.29 ppm; 3.68 A): 1 out of 5 assignments used, quality = 0.99: QB ALA 71 + HB VAL 78 OK 99 100 100 99 3.3-3.7 10835=60, 10290/2.1=47...(23) HB2 LEU 70 - HB VAL 78 far 0 65 0 - 7.1-8.3 HG13 ILE 76 - HB VAL 78 far 0 73 0 - 7.6-8.0 HB3 ARG 30 - HB VAL 78 far 0 70 0 - 9.5-11.4 HG3 LYS 39 - HB VAL 78 far 0 63 0 - 9.7-13.0 Violated in 1 structures by 0.00 A. Peak 9686 from cnoeabs.peaks (1.55, 1.78, 35.29 ppm; 4.72 A): 1 out of 10 assignments used, quality = 0.90: HG12 ILE 56 + HB VAL 78 OK 90 94 100 96 2.6-5.1 12206/10288=42, 2579=40...(17) HG2 ARG 79 - HB VAL 78 poor 19 96 20 - 4.9-7.6 HG LEU 6 - HB VAL 78 poor 17 87 85 23 5.3-8.4 2589/2587=10...(4) HG3 ARG 79 - HB VAL 78 far 10 97 10 - 4.4-7.7 HD3 LYS 53 - HB VAL 78 far 0 100 0 - 6.8-9.6 HG LEU 103 - HB VAL 78 far 0 71 0 - 7.2-17.4 HB2 LEU 103 - HB VAL 78 far 0 65 0 - 7.9-15.2 HB3 LEU 103 - HB VAL 78 far 0 84 0 - 9.2-15.5 HB2 LEU 3 - HB VAL 78 far 0 100 0 - 9.5-11.8 HG LEU 2 - HB VAL 78 far 0 70 0 - 10.0-13.8 Violated in 1 structures by 0.02 A. Peak 9687 from cnoeabs.peaks (3.82, 1.78, 35.29 ppm; 5.63 A): 2 out of 5 assignments used, quality = 0.98: HA ALA 71 + HB VAL 78 OK 88 88 100 100 5.5-6.0 2.1/9685=100, ~9688=61...(14) HA LYS 68 + HB VAL 78 OK 82 95 100 86 5.3-7.1 10260/10288=56...(9) HA ALA 67 - HB VAL 78 far 4 75 5 - 7.0-8.7 HB3 SER 102 - HB VAL 78 far 0 98 0 - 8.5-16.7 HB3 SER 49 - HB VAL 78 far 0 70 0 - 10.0-13.8 Violated in 0 structures by 0.00 A. Peak 9688 from cnoeabs.peaks (1.41, 5.19, 58.80 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 71 + HA VAL 78 OK 100 100 100 100 4.4-4.8 9685/3.0=81, 9683/3.0=58...(20) HG13 ILE 76 - HA VAL 78 far 0 84 0 - 7.6-8.3 Violated in 14 structures by 0.05 A. Peak 9689 from cnoeabs.peaks (1.55, 5.19, 58.80 ppm; 4.78 A): 4 out of 10 assignments used, quality = 0.90: HG12 ILE 56 + HA VAL 78 OK 67 94 75 95 4.4-7.1 9686/3.0=56, 4.9/9300=28...(17) HD3 LYS 53 + HA VAL 78 OK 47 100 70 67 4.6-7.3 2389/11102=46...(6) HG3 ARG 79 + HA VAL 78 OK 23 97 25 96 3.4-6.6 4.7/7284=67...(14) HG2 ARG 79 + HA VAL 78 OK 23 96 25 96 3.2-6.6 4.7/7284=67...(14) HG LEU 103 - HA VAL 78 far 0 71 0 - 6.5-15.5 HG LEU 6 - HA VAL 78 far 0 87 0 - 6.6-9.9 HB2 LEU 103 - HA VAL 78 far 0 65 0 - 6.7-13.2 HB2 LEU 3 - HA VAL 78 far 0 100 0 - 8.0-10.1 HB3 LEU 103 - HA VAL 78 far 0 84 0 - 8.2-13.5 HG LEU 2 - HA VAL 78 far 0 70 0 - 8.8-12.4 Violated in 4 structures by 0.03 A. Peak 9690 from cnoeabs.peaks (1.63, 5.19, 58.80 ppm; 4.90 A): 3 out of 7 assignments used, quality = 1.00: HB ILE 76 + HA VAL 78 OK 94 95 100 99 5.1-5.5 ~10287=44, ~10898=44...(16) HB2 ARG 79 + HA VAL 78 OK 81 82 100 99 4.4-5.6 4.1/7284=80...(18) HB3 ARG 79 + HA VAL 78 OK 81 82 100 98 3.9-5.6 4.1/7284=80...(17) HB3 LEU 6 - HA VAL 78 far 0 91 0 - 7.3-8.6 HD3 LYS 68 - HA VAL 78 far 0 87 0 - 8.0-11.3 HG2 LYS 68 - HA VAL 78 far 0 96 0 - 8.3-11.2 HD2 LYS 68 - HA VAL 78 far 0 85 0 - 8.3-12.2 Violated in 0 structures by 0.00 A. Peak 9693 from cnoeabs.peaks (0.41, 1.60, 31.20 ppm; 4.18 A): 2 out of 2 assignments used, quality = 0.94: QD1 LEU 55 + HB2 ARG 79 OK 89 91 100 99 2.0-5.1 9252/1.8=76...(12) HG2 ARG 81 + HB2 ARG 79 OK 43 98 65 67 3.7-7.9 9694/1.8=23...(11) Violated in 7 structures by 0.13 A. Peak 9694 from cnoeabs.peaks (0.40, 1.65, 31.20 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.84: QD1 LEU 55 + HB3 ARG 79 OK 71 71 100 99 2.6-4.8 9252=63, 9693/1.8=59...(14) HG2 ARG 81 + HB3 ARG 79 OK 45 85 75 71 3.9-8.6 9693/1.8=28, 9716/4.6=20...(11) Violated in 0 structures by 0.00 A. Peak 9695 from cnoeabs.peaks (0.43, 1.53, 26.76 ppm; 3.70 A): 4 out of 10 assignments used, quality = 1.00: QD1 LEU 55 + HG3 ARG 79 OK 95 99 100 96 2.5-4.2 9252/3.0=55, 9251=32...(21) QD1 LEU 55 + HG2 ARG 79 OK 95 99 100 96 1.9-4.6 9252/3.0=55, 9251=32...(21) HG2 ARG 81 + HG3 ARG 79 OK 33 100 60 55 2.9-6.6 9693/3.0=15, 9694/3.0=11...(15) HG2 ARG 81 + HG2 ARG 79 OK 33 100 60 54 2.9-7.3 9693/3.0=15, 9694/3.0=11...(16) QD1 LEU 3 - HG LEU 2 far 2 47 5 - 5.2-7.3 QD1 LEU 55 - HG LEU 6 far 0 79 0 - 6.2-8.6 QD1 LEU 3 - HG3 ARG 79 far 0 65 0 - 8.1-11.4 QD1 LEU 3 - HG2 ARG 79 far 0 65 0 - 8.6-11.5 HG2 ARG 81 - HG LEU 6 far 0 81 0 - 9.6-13.3 QD1 LEU 3 - HG LEU 6 far 0 46 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 9696 from cnoeabs.peaks (0.41, 3.07, 43.09 ppm; 4.50 A): 4 out of 4 assignments used, quality = 0.98: QD1 LEU 55 + HD2 ARG 79 OK 80 82 100 97 2.1-5.7 9252/3.8=50, 9693/3.8=40...(23) QD1 LEU 55 + HD3 ARG 79 OK 79 82 100 97 1.9-5.9 9252/3.8=50, 9693/3.8=40...(22) HG2 ARG 81 + HD3 ARG 79 OK 38 93 60 69 2.1-8.6 9694/3.8=20, 9693/3.8=19...(12) HG2 ARG 81 + HD2 ARG 79 OK 29 93 45 70 3.8-9.0 9694/3.8=20, 9693/3.8=19...(13) Violated in 8 structures by 0.06 A. Peak 9698 from cnoeabs.peaks (9.20, 1.60, 31.20 ppm; 6.18 A): 1 out of 1 assignment used, quality = 0.99: H ILE 56 + HB2 ARG 79 OK 99 99 100 100 3.5-6.2 3.6/12329=90...(15) Violated in 2 structures by 0.00 A. Peak 9699 from cnoeabs.peaks (9.17, 1.65, 31.20 ppm; 6.33 A): 1 out of 1 assignment used, quality = 0.89: H ILE 56 + HB3 ARG 79 OK 89 90 100 100 3.8-5.8 3.6/12328=90...(11) Violated in 0 structures by 0.00 A. Peak 9700 from cnoeabs.peaks (7.04, 3.07, 43.09 ppm; 4.00 A): 3 out of 6 assignments used, quality = 0.55: QD PHE 96 + HD3 ARG 79 OK 27 100 35 76 3.8-7.5 2.2/10912=29, ~10912=22...(11) QD PHE 96 + HD2 ARG 79 OK 23 100 30 77 2.3-7.1 2.2/10912=31, ~10912=20...(12) HZ PHE 96 + HD2 ARG 79 OK 20 82 40 61 3.6-7.8 2.2/10912=31, ~10912=20...(10) HZ PHE 96 - HD3 ARG 79 far 12 82 15 - 2.5-7.7 HZ3 TRP 92 - HD3 ARG 79 far 0 81 0 - 5.8-10.1 HZ3 TRP 92 - HD2 ARG 79 far 0 80 0 - 7.4-10.7 Violated in 13 structures by 0.78 A. Peak 9701 from cnoeabs.peaks (9.20, 5.33, 59.69 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.98: H ILE 56 + HA THR 80 OK 98 98 100 100 2.5-3.1 9299=97, 3.8/10293=49...(22) Violated in 0 structures by 0.00 A. Peak 9702 from cnoeabs.peaks (9.19, 3.68, 69.77 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: H ILE 56 + HB THR 80 OK 100 100 100 100 5.0-5.8 10914/2.1=96...(11) Violated in 13 structures by 0.11 A. Peak 9703 from cnoeabs.peaks (8.18, 3.68, 69.77 ppm; 5.60 A): 1 out of 3 assignments used, quality = 0.99: H LYS 68 + HB THR 80 OK 99 99 100 100 4.4-5.1 9529/2.1=98, ~10260=67...(20) H HIS 106 - HB THR 80 far 4 88 5 - 5.7-18.7 H GLU 104 - HB THR 80 far 0 59 0 - 8.1-17.8 Violated in 0 structures by 0.00 A. Peak 9704 from cnoeabs.peaks (7.93, 3.68, 69.77 ppm; 6.14 A): 2 out of 4 assignments used, quality = 1.00: H ASP 65 + HB THR 80 OK 99 99 100 100 5.2-6.1 4.9/10244=85...(17) H GLU 69 + HB THR 80 OK 83 84 100 99 6.3-7.3 9534/2.1=68, 4.6/9703=65...(14) H LEU 70 - HB THR 80 far 0 73 0 - 8.1-9.2 H GLN 72 - HB THR 80 far 0 92 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 9705 from cnoeabs.peaks (8.21, 0.98, 22.13 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.91: H LYS 68 + QG2 THR 80 OK 91 91 100 100 2.1-3.3 9529=87, 2.9/10260=63...(26) H GLU 104 - QG2 THR 80 far 0 99 0 - 7.4-15.4 H GLU 43 - QG2 THR 80 far 0 97 0 - 9.8-10.7 Violated in 0 structures by 0.00 A. Peak 9706 from cnoeabs.peaks (7.93, 0.98, 22.13 ppm; 5.38 A): 4 out of 5 assignments used, quality = 1.00: H ASP 65 + QG2 THR 80 OK 98 98 100 100 4.5-4.8 3.6/9476=85...(22) H GLU 69 + QG2 THR 80 OK 77 77 100 100 4.1-5.6 3.6/10260=80...(22) H LEU 70 + QG2 THR 80 OK 75 81 100 93 5.1-6.8 7116/9529=58...(7) H GLN 72 + QG2 THR 80 OK 28 87 70 46 5.7-7.8 2996/10260=20...(4) H LEU 42 - QG2 THR 80 far 0 77 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 9707 from cnoeabs.peaks (8.50, 0.98, 22.13 ppm; 4.62 A): 3 out of 5 assignments used, quality = 1.00: H ARG 79 + QG2 THR 80 OK 99 100 100 99 4.4-5.2 7297/7307=64...(17) H ALA 67 + QG2 THR 80 OK 88 88 100 100 3.4-4.0 7103/9529=65, 9518=62...(22) H VAL 58 + QG2 THR 80 OK 56 59 100 94 3.7-5.9 4.6/10915=42...(15) H VAL 54 - QG2 THR 80 far 0 98 0 - 7.4-9.0 H VAL 32 - QG2 THR 80 far 0 88 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 9710 from cnoeabs.peaks (4.35, 3.68, 69.77 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.99: HA ARG 81 + HB THR 80 OK 99 99 100 100 3.9-4.3 3.0/7312=86, 9741/3.0=62...(18) HA ASP 61 - HB THR 80 far 0 99 0 - 7.0-8.0 Violated in 0 structures by 0.00 A. Peak 9711 from cnoeabs.peaks (4.71, 0.98, 22.13 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.98: HA ARG 79 + QG2 THR 80 OK 97 100 100 97 4.1-5.4 7298/7307=78...(16) HA LYS 82 + QG2 THR 80 OK 52 99 60 88 4.9-6.4 9486/10762=34...(10) Violated in 9 structures by 0.06 A. Peak 9712 from cnoeabs.peaks (4.34, 0.98, 22.13 ppm; 5.29 A): 3 out of 4 assignments used, quality = 0.99: HA ARG 81 + QG2 THR 80 OK 92 92 100 100 4.2-5.4 3.0/3573=93, 9710/2.1=78...(17) HA ASP 65 + QG2 THR 80 OK 78 79 100 99 3.6-4.7 7100/9529=61...(21) HA ASP 61 + QG2 THR 80 OK 24 88 30 92 6.3-7.4 9470/9468=53...(9) HA SER 102 - QG2 THR 80 far 0 61 0 - 9.5-14.9 Violated in 0 structures by 0.00 A. Peak 9713 from cnoeabs.peaks (4.67, 5.33, 59.69 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 55 + HA THR 80 OK 99 100 100 99 4.1-5.0 6915/9299=83...(16) HA LYS 82 - HA THR 80 far 3 70 5 - 6.3-6.9 HA LEU 27 - HA ILE 52 far 0 63 0 - 8.4-10.2 Violated in 2 structures by 0.01 A. Peak 9714 from cnoeabs.peaks (4.34, 5.33, 59.69 ppm; 5.23 A): 1 out of 4 assignments used, quality = 0.84: HA ARG 81 + HA THR 80 OK 84 84 100 100 4.4-4.5 3.0/7311=99, 9741=73...(18) HA ASP 65 - HA THR 80 far 0 88 0 - 6.8-8.1 HA LEU 103 - HA THR 80 far 0 68 0 - 7.4-17.3 HA ASP 61 - HA THR 80 far 0 79 0 - 9.2-9.9 Violated in 0 structures by 0.00 A. Peak 9717 from cnoeabs.peaks (2.89, 3.68, 69.77 ppm; 5.30 A): 2 out of 5 assignments used, quality = 0.97: HE3 LYS 68 + HB THR 80 OK 87 92 95 100 3.8-6.9 3.6/10788=66...(17) HE2 LYS 68 + HB THR 80 OK 80 90 90 100 3.5-7.0 3.6/10788=66...(17) HE3 LYS 82 - HB THR 80 far 4 71 5 - 6.5-10.4 HB2 ASN 60 - HB THR 80 far 0 100 0 - 9.0-11.2 HE3 LYS 66 - HB THR 80 far 0 98 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 9718 from cnoeabs.peaks (1.85, 3.68, 69.77 ppm; 4.85 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 68 + HB THR 80 OK 96 96 100 100 2.4-5.6 10259/2.1=66...(23) HB3 LYS 68 + HB THR 80 OK 95 95 100 100 3.7-4.8 2.9/10788=63...(26) HB3 LYS 66 - HB THR 80 far 0 100 0 - 7.3-8.6 HB3 LEU 57 - HB THR 80 far 0 77 0 - 7.8-9.6 HB3 GLU 104 - HB THR 80 far 0 96 0 - 8.6-16.3 HB VAL 54 - HB THR 80 far 0 75 0 - 8.8-10.2 Violated in 0 structures by 0.00 A. Peak 9719 from cnoeabs.peaks (1.75, 3.68, 69.77 ppm; 4.29 A): 2 out of 6 assignments used, quality = 0.99: HB ILE 56 + HB THR 80 OK 99 99 100 100 3.5-4.3 9729/2.1=91...(25) HD2 ARG 81 + HB THR 80 OK 28 79 40 89 5.0-6.2 5.3/9710=32, 6.2/7312=29...(12) HB3 LYS 82 - HB THR 80 far 0 99 0 - 6.3-8.3 HB3 GLU 63 - HB THR 80 far 0 87 0 - 6.6-8.4 HB VAL 78 - HB THR 80 far 0 84 0 - 6.9-8.3 HB2 LYS 66 - HB THR 80 far 0 98 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 9720 from cnoeabs.peaks (1.63, 3.68, 69.77 ppm; 3.96 A): 3 out of 6 assignments used, quality = 0.98: HD3 LYS 68 + HB THR 80 OK 94 94 100 100 3.3-4.9 3.0/10788=41...(27) HG2 LYS 68 + HB THR 80 OK 54 99 55 100 2.0-6.4 10256/2.1=61, 10788=48...(24) HD2 LYS 68 + HB THR 80 OK 28 93 30 100 4.5-6.5 3.0/10788=41...(23) HB3 ARG 79 - HB THR 80 far 0 91 0 - 6.1-7.8 HB2 ARG 79 - HB THR 80 far 0 71 0 - 6.5-7.7 HB3 LEU 6 - HB THR 80 far 0 96 0 - 7.6-9.1 Violated in 12 structures by 0.14 A. Peak 9721 from cnoeabs.peaks (1.47, 3.68, 69.77 ppm; 4.31 A): 2 out of 8 assignments used, quality = 1.00: HG LEU 64 + HB THR 80 OK 99 99 100 100 2.9-3.9 2.1/10244=89...(23) HB3 LEU 64 + HB THR 80 OK 93 93 100 100 3.1-4.8 3.1/10244=74...(22) HD2 LYS 82 - HB THR 80 far 0 98 0 - 5.9-9.2 HG LEU 38 - HB THR 80 far 0 98 0 - 7.8-11.2 HB2 LEU 38 - HB THR 80 far 0 96 0 - 8.6-11.3 HG2 LYS 66 - HB THR 80 far 0 92 0 - 8.6-10.8 HG LEU 57 - HB THR 80 far 0 77 0 - 8.6-10.1 HG3 LYS 66 - HB THR 80 far 0 90 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 9722 from cnoeabs.peaks (1.34, 3.68, 69.77 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.98: QB ALA 67 + HB THR 80 OK 97 100 100 97 4.2-5.3 9732/2.1=48...(19) HG3 LYS 68 + HB THR 80 OK 39 99 40 100 2.2-6.3 12321/2.1=62...(18) HB2 LYS 82 - HB THR 80 poor 20 100 20 - 5.1-6.8 HG12 ILE 8 - HB THR 80 far 0 87 0 - 6.5-9.8 HB2 LEU 70 - HB THR 80 far 0 77 0 - 8.7-9.8 QB ALA 89 - HB THR 80 far 0 100 0 - 9.5-11.0 Violated in 16 structures by 0.33 A. Peak 9723 from cnoeabs.peaks (0.84, 3.68, 69.77 ppm; 4.61 A): 1 out of 10 assignments used, quality = 0.85: QD2 LEU 64 + HB THR 80 OK 85 85 100 100 4.1-4.5 2.1/10244=94, 10246=69...(23) QD2 LEU 103 - HB THR 80 poor 20 99 20 - 5.7-17.5 QD1 LEU 103 - HB THR 80 poor 16 82 20 - 5.7-16.8 QD1 LEU 57 - HB THR 80 far 10 99 10 - 5.6-7.1 QD2 LEU 38 - HB THR 80 far 0 96 0 - 6.4-8.7 QD1 LEU 38 - HB THR 80 far 0 88 0 - 6.5-8.3 QG2 VAL 32 - HB THR 80 far 0 100 0 - 7.7-9.2 QD1 LEU 70 - HB THR 80 far 0 90 0 - 8.2-10.3 QD2 LEU 70 - HB THR 80 far 0 77 0 - 8.5-10.1 QG2 ILE 7 - HB THR 80 far 0 59 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 9724 from cnoeabs.peaks (0.73, 3.68, 69.77 ppm; 3.22 A): 3 out of 13 assignments used, quality = 1.00: QD1 LEU 64 + HB THR 80 OK 99 100 100 100 1.8-2.0 10244=78, 10762/2.1=65...(31) QG1 VAL 58 + HB THR 80 OK 55 96 80 72 3.0-5.2 10223/2.1=29...(16) QD1 ILE 56 + HB THR 80 OK 27 81 35 96 3.9-6.6 ~12206=29, 3.2/9321=26...(24) HG13 ILE 56 - HB THR 80 far 0 91 0 - 4.7-7.1 QG2 VAL 78 - HB THR 80 far 0 97 0 - 4.8-5.7 QD1 ILE 8 - HB THR 80 far 0 84 0 - 4.8-6.7 HG3 ARG 81 - HB THR 80 far 0 100 0 - 6.1-7.3 QD2 LEU 42 - HB THR 80 far 0 75 0 - 7.2-8.4 QG1 VAL 78 - HB THR 80 far 0 99 0 - 7.3-8.3 QD1 LEU 6 - HB THR 80 far 0 68 0 - 7.5-10.1 QG1 VAL 54 - HB THR 80 far 0 84 0 - 8.0-9.4 QG1 VAL 5 - HB THR 80 far 0 99 0 - 8.3-9.5 QD2 LEU 14 - HB THR 80 far 0 82 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 9725 from cnoeabs.peaks (0.58, 3.68, 69.77 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.91: QG2 ILE 56 + HB THR 80 OK 91 91 100 100 3.0-4.9 9734/2.1=87, 2.1/9321=87...(23) Violated in 0 structures by 0.00 A. Peak 9726 from cnoeabs.peaks (0.43, 3.68, 69.77 ppm; 5.83 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HB THR 80 OK 100 100 100 100 5.5-6.9 9258/3.0=90...(10) HG2 ARG 81 + HB THR 80 OK 100 100 100 100 4.8-7.3 4.9/7312=75, 3.9/9710=73...(11) Violated in 0 structures by 0.00 A. Peak 9727 from cnoeabs.peaks (3.78, 0.98, 22.13 ppm; 3.57 A): 2 out of 3 assignments used, quality = 0.96: HA LYS 68 + QG2 THR 80 OK 85 85 100 99 2.0-3.9 10260=50, 2.9/9529=49...(22) HA LEU 64 + QG2 THR 80 OK 76 77 100 98 1.9-3.4 9476=55, 4.0/10762=46...(18) HB3 SER 102 - QG2 THR 80 far 0 77 0 - 9.7-17.3 Violated in 0 structures by 0.00 A. Peak 9728 from cnoeabs.peaks (2.09, 0.98, 22.13 ppm; 5.30 A): 4 out of 13 assignments used, quality = 0.97: HB2 LEU 64 + QG2 THR 80 OK 92 92 100 100 4.0-5.4 3.1/10762=96...(24) HB2 GLU 69 + QG2 THR 80 OK 41 70 80 73 6.2-7.5 4.0/9534=52...(6) HG2 GLU 69 + QG2 THR 80 OK 34 70 70 69 5.9-7.8 5.1/9534=44...(7) HB3 LEU 38 + QG2 THR 80 OK 20 92 90 25 5.7-7.3 12202/10682=8...(6) HB3 GLU 69 - QG2 THR 80 far 3 70 5 - 6.1-8.6 HG3 GLU 104 - QG2 THR 80 far 0 100 0 - 7.2-15.0 HB3 GLU 35 - QG2 THR 80 far 0 98 0 - 7.7-10.1 HB2 MET 74 - QG2 THR 80 far 0 77 0 - 8.6-11.3 HB3 GLU 62 - QG2 THR 80 far 0 100 0 - 8.7-9.6 HB VAL 83 - QG2 THR 80 far 0 92 0 - 8.9-10.5 HB3 GLU 37 - QG2 THR 80 far 0 71 0 - 9.1-11.9 HB3 GLU 88 - QG2 THR 80 far 0 96 0 - 9.7-11.4 HG3 GLU 37 - QG2 THR 80 far 0 95 0 - 9.8-11.8 Violated in 0 structures by 0.00 A. Peak 9729 from cnoeabs.peaks (1.75, 0.98, 22.13 ppm; 3.35 A): 1 out of 7 assignments used, quality = 0.96: HB ILE 56 + QG2 THR 80 OK 96 96 100 100 1.9-2.6 2.1/9734=62...(26) HB VAL 78 - QG2 THR 80 far 11 73 15 - 4.6-5.5 HB3 GLU 63 - QG2 THR 80 far 0 77 0 - 5.0-6.6 HD2 ARG 81 - QG2 THR 80 far 0 88 0 - 5.5-7.0 HB2 LYS 66 - QG2 THR 80 far 0 94 0 - 5.9-6.7 HB3 LYS 82 - QG2 THR 80 far 0 96 0 - 6.2-7.8 HB3 LEU 70 - QG2 THR 80 far 0 71 0 - 7.1-8.3 Violated in 0 structures by 0.00 A. Peak 9730 from cnoeabs.peaks (1.64, 0.98, 22.13 ppm; 3.48 A): 2 out of 12 assignments used, quality = 1.00: HG2 LYS 68 + QG2 THR 80 OK 99 100 100 99 2.9-4.4 10256=51, 1.8/12321=50...(23) HD3 LYS 68 + QG2 THR 80 OK 92 98 95 99 3.2-5.1 3.0/12321=41...(26) HD2 LYS 68 - QG2 THR 80 far 5 98 5 - 4.4-5.6 HB3 LEU 6 - QG2 THR 80 far 0 99 0 - 5.0-6.1 HB3 ARG 79 - QG2 THR 80 far 0 96 0 - 5.6-6.9 HB2 ARG 79 - QG2 THR 80 far 0 59 0 - 5.6-6.3 HB ILE 76 - QG2 THR 80 far 0 100 0 - 7.5-9.0 HD2 LYS 66 - QG2 THR 80 far 0 61 0 - 7.9-8.9 HD2 LYS 39 - QG2 THR 80 far 0 96 0 - 9.1-11.4 HD2 LYS 73 - QG2 THR 80 far 0 81 0 - 9.4-11.1 HD3 LYS 73 - QG2 THR 80 far 0 84 0 - 9.5-12.0 HB2 ARG 30 - QG2 THR 80 far 0 65 0 - 9.9-11.1 Violated in 15 structures by 0.07 A. Peak 9731 from cnoeabs.peaks (1.86, 0.98, 22.13 ppm; 3.72 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 68 + QG2 THR 80 OK 97 97 100 100 2.2-3.8 3.0/10260=48...(30) HB2 LYS 68 + QG2 THR 80 OK 93 93 100 100 1.8-5.0 3.0/10260=48...(21) HB3 LYS 66 - QG2 THR 80 far 10 100 10 - 5.2-5.9 HB ILE 8 - QG2 THR 80 far 3 61 5 - 5.2-6.9 HB VAL 54 - QG2 THR 80 far 0 81 0 - 5.9-7.4 HB3 LEU 57 - QG2 THR 80 far 0 71 0 - 6.2-7.9 HG LEU 42 - QG2 THR 80 far 0 59 0 - 6.6-7.8 HB3 GLU 104 - QG2 THR 80 far 0 98 0 - 8.5-14.5 HB3 LYS 39 - QG2 THR 80 far 0 100 0 - 8.6-10.8 HB VAL 5 - QG2 THR 80 far 0 100 0 - 9.5-10.2 Violated in 0 structures by 0.00 A. Peak 9732 from cnoeabs.peaks (1.34, 0.98, 22.13 ppm; 2.98 A): 2 out of 9 assignments used, quality = 0.99: QB ALA 67 + QG2 THR 80 OK 96 100 100 96 2.1-2.8 9528/9734=34...(26) HG3 LYS 68 + QG2 THR 80 OK 85 99 90 95 3.1-4.7 12321=33, 1.8/10256=32...(20) HG12 ILE 8 - QG2 THR 80 far 0 87 0 - 4.6-6.8 HB2 LYS 82 - QG2 THR 80 far 0 100 0 - 5.1-6.5 HB2 LEU 70 - QG2 THR 80 far 0 77 0 - 5.7-6.9 HB3 LEU 42 - QG2 THR 80 far 0 65 0 - 7.2-8.7 QB ALA 89 - QG2 THR 80 far 0 100 0 - 7.7-9.2 HG2 LYS 39 - QG2 THR 80 far 0 100 0 - 8.8-10.7 HB3 ARG 30 - QG2 THR 80 far 0 73 0 - 8.9-10.8 Violated in 0 structures by 0.00 A. Peak 9733 from cnoeabs.peaks (0.72, 0.98, 22.13 ppm; 2.60 A): 6 out of 17 assignments used, quality = 1.00: QD1 LEU 64 + QG2 THR 80 OK 90 94 100 95 2.0-3.2 10762=50, 10244/2.1=33...(31) QD1 ILE 56 + QG2 THR 80 OK 82 96 95 90 2.0-4.2 2.1/12206=31...(25) QG1 VAL 58 + QG2 THR 80 OK 77 100 100 77 2.4-4.0 10223=21, 9385/9476=20...(22) HG13 ILE 56 + QG2 THR 80 OK 77 99 85 92 2.2-4.2 1.8/12206=32...(23) QG2 VAL 78 + QG2 THR 80 OK 46 100 90 51 2.9-4.3 10907=12, 2.1/10288=12...(14) QD1 ILE 8 + QG2 THR 80 OK 37 97 85 45 3.0-4.6 8313/9734=13, 10682=9...(13) QD1 LEU 42 - QG2 THR 80 far 0 68 0 - 4.8-5.5 QG1 VAL 78 - QG2 THR 80 far 0 90 0 - 5.0-5.8 QG1 VAL 54 - QG2 THR 80 far 0 61 0 - 5.3-6.8 QD2 LEU 6 - QG2 THR 80 far 0 63 0 - 5.6-7.2 HG3 ARG 81 - QG2 THR 80 far 0 96 0 - 6.4-7.2 QG1 VAL 5 - QG2 THR 80 far 0 100 0 - 6.6-7.3 QD2 LEU 14 - QG2 THR 80 far 0 96 0 - 8.1-9.3 QD1 ILE 52 - QG2 THR 80 far 0 79 0 - 9.1-10.9 HG13 ILE 93 - QG2 THR 80 far 0 92 0 - 9.4-10.7 QD1 ILE 15 - QG2 THR 80 far 0 65 0 - 9.6-11.0 QG2 ILE 93 - QG2 THR 80 far 0 82 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 9734 from cnoeabs.peaks (0.60, 0.98, 22.13 ppm; 3.48 A): 1 out of 2 assignments used, quality = 1.00: QG2 ILE 56 + QG2 THR 80 OK 100 100 100 100 1.8-3.2 2.1/9729=69, 9327=65...(28) QD1 ILE 7 - QG2 THR 80 far 0 87 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 9741 from cnoeabs.peaks (5.34, 4.36, 53.27 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: HA THR 80 + HA ARG 81 OK 100 100 100 100 4.4-4.5 7311/3.0=99, 9714=78...(20) Violated in 0 structures by 0.00 A. Peak 9742 from cnoeabs.peaks (1.52, 4.36, 53.27 ppm; 5.81 A): 5 out of 7 assignments used, quality = 0.98: HB3 LEU 64 + HA ARG 81 OK 78 79 100 99 4.3-5.4 3.1/3579=49, 3.1/9745=38...(17) HG LEU 64 + HA ARG 81 OK 59 59 100 99 5.0-6.2 2.1/3579=50, 3.0/9481=45...(14) HG3 ARG 79 + HA ARG 81 OK 45 96 75 62 5.3-8.1 3531/10920=20...(7) HG2 ARG 79 + HA ARG 81 OK 42 96 70 62 4.7-8.5 3531/10920=20...(8) HG12 ILE 56 + HA ARG 81 OK 29 98 30 98 6.5-8.9 ~9735=53, ~9303=44...(15) HG LEU 57 - HA ARG 81 poor 19 94 20 - 7.1-7.9 HB3 LEU 103 - HA ARG 81 poor 9 100 35 25 5.2-15.6 ~9748=7, ~9744=6...(4) Violated in 0 structures by 0.00 A. Peak 9743 from cnoeabs.peaks (1.34, 4.36, 53.27 ppm; 5.24 A): 1 out of 5 assignments used, quality = 1.00: HB2 LYS 82 + HA ARG 81 OK 100 100 100 100 4.2-4.7 7332/7324=97, 9764=50...(16) HG3 LYS 68 - HA ARG 81 far 10 100 10 - 6.0-9.7 QB ALA 67 - HA ARG 81 far 0 99 0 - 7.3-7.7 QB ALA 89 - HA ARG 81 far 0 100 0 - 7.9-9.2 HG12 ILE 8 - HA ARG 81 far 0 94 0 - 8.7-11.0 Violated in 0 structures by 0.00 A. Peak 9744 from cnoeabs.peaks (0.83, 0.93, 33.91 ppm; 4.70 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 57 + HB2 ARG 81 OK 98 100 100 99 2.1-3.8 9736/4.0=41...(19) QD2 LEU 57 + HB2 ARG 81 OK 59 65 95 96 2.9-6.4 9748/1.8=32, ~9748=28...(17) QD2 LEU 103 + HB2 ARG 81 OK 23 100 55 42 3.7-15.4 9748/1.8=10, 9747/2.9=9...(10) QD1 LEU 103 - HB2 ARG 81 poor 11 71 45 35 3.0-14.4 ~9748=7, ~9747=6...(8) QD2 LEU 64 - HB2 ARG 81 far 11 75 15 - 5.5-7.2 QG2 ILE 7 - HB2 ARG 81 far 0 71 0 - 9.2-10.5 QD1 LEU 38 - HB2 ARG 81 far 0 79 0 - 9.3-12.2 QD2 LEU 38 - HB2 ARG 81 far 0 99 0 - 9.3-11.4 QG2 VAL 32 - HB2 ARG 81 far 0 100 0 - 9.6-11.4 Violated in 0 structures by 0.00 A. Peak 9745 from cnoeabs.peaks (0.84, 4.36, 53.27 ppm; 4.53 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 57 + HA ARG 81 OK 93 96 100 98 4.1-4.8 9736/3.0=47, 9744/3.0=30...(17) QD2 LEU 64 + HA ARG 81 OK 92 93 100 99 3.6-5.2 2.1/3579=46...(19) QD2 LEU 103 - HA ARG 81 poor 15 95 50 30 4.0-16.0 9746/3629=7, 9744/3.0=7...(9) QD1 LEU 103 - HA ARG 81 poor 14 91 60 26 4.7-14.9 ~9748=5, 9746/3629=5...(7) QD1 LEU 38 - HA ARG 81 far 0 95 0 - 8.8-11.3 QD2 LEU 38 - HA ARG 81 far 0 91 0 - 9.0-10.8 QG2 VAL 32 - HA ARG 81 far 0 98 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 9746 from cnoeabs.peaks (0.84, 2.31, 42.21 ppm; 4.89 A): 4 out of 6 assignments used, quality = 0.99: QD1 LEU 57 + HD3 ARG 81 OK 96 99 100 98 4.3-5.8 10211/3.0=40...(16) QD2 LEU 64 + HD3 ARG 81 OK 52 85 65 93 4.9-6.8 2.1/3633=44, ~3624=33...(10) QD2 LEU 103 + HD3 ARG 81 OK 29 99 70 41 2.0-14.3 9747/3.0=9, 9744/3.4=8...(11) QD1 LEU 103 + HD3 ARG 81 OK 21 82 75 33 2.7-13.1 ~9747=7, ~9748=6...(8) QD2 LEU 38 - HD3 ARG 81 far 0 96 0 - 9.3-12.8 QD1 LEU 38 - HD3 ARG 81 far 0 88 0 - 9.5-13.1 Violated in 1 structures by 0.00 A. Peak 9747 from cnoeabs.peaks (0.82, 0.43, 25.88 ppm; 4.62 A): 3 out of 8 assignments used, quality = 1.00: QD1 LEU 57 + HG2 ARG 81 OK 99 100 100 99 3.7-4.8 10211=43, 9999/10000=33...(23) QD2 LEU 57 + HG2 ARG 81 OK 70 77 95 96 3.6-6.4 2.1/10211=42...(18) QD2 LEU 103 + HG2 ARG 81 OK 29 100 70 41 2.1-13.7 9748/2.9=9, 9746/3.0=8...(12) QD1 LEU 103 - HG2 ARG 81 poor 16 59 85 30 2.1-12.7 9746/3.0=6, ~9746=6...(8) QD2 LEU 64 - HG2 ARG 81 far 6 63 10 - 5.3-7.4 QD1 LEU 38 - HG2 ARG 81 far 0 68 0 - 9.4-12.6 QD2 LEU 38 - HG2 ARG 81 far 0 100 0 - 9.7-12.6 QG2 VAL 32 - HG2 ARG 81 far 0 100 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9748 from cnoeabs.peaks (0.82, 1.06, 33.91 ppm; 4.45 A): 3 out of 7 assignments used, quality = 1.00: QD1 LEU 57 + HB3 ARG 81 OK 97 99 100 98 1.9-3.5 9736/7316=38...(18) QD2 LEU 57 + HB3 ARG 81 OK 82 87 100 95 2.0-5.1 4.0/12209=30, ~9744=26...(16) QD2 LEU 103 + HB3 ARG 81 OK 26 100 65 39 3.2-14.9 9744/1.8=8, 9747/2.9=8...(11) QG2 ILE 7 - HB3 ARG 81 far 0 91 0 - 8.5-10.0 QD2 LEU 38 - HB3 ARG 81 far 0 100 0 - 8.5-11.0 QG2 VAL 32 - HB3 ARG 81 far 0 98 0 - 8.7-10.3 QG2 ILE 8 - HB3 ARG 81 far 0 71 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 9749 from cnoeabs.peaks (7.45, 2.31, 42.21 ppm; 6.01 A): 2 out of 4 assignments used, quality = 0.83: HE3 TRP 92 + HD3 ARG 81 OK 69 88 100 78 3.1-6.8 9276/9253=57...(5) HZ2 TRP 92 + HD3 ARG 81 OK 46 63 75 96 4.8-8.1 10925/1.8=63, ~10000=52...(6) H ALA 89 - HD3 ARG 81 far 0 79 0 - 9.2-12.4 HE22 GLN 72 - HD3 ARG 81 far 0 98 0 - 9.8-15.8 Violated in 1 structures by 0.02 A. Peak 9750 from cnoeabs.peaks (6.29, 2.31, 42.21 ppm; 5.92 A): 0 out of 0 assignments used, quality = 0.00: Peak 9751 from cnoeabs.peaks (5.83, 2.31, 42.21 ppm; 5.33 A): 1 out of 1 assignment used, quality = 0.99: HE ARG 81 + HD3 ARG 81 OK 99 99 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 9752 from cnoeabs.peaks (5.82, 1.73, 42.21 ppm; 5.16 A): 1 out of 1 assignment used, quality = 0.96: HE ARG 81 + HD2 ARG 81 OK 96 96 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 9756 from cnoeabs.peaks (0.85, 1.34, 32.60 ppm; 4.16 A): 2 out of 16 assignments used, quality = 1.00: QD2 LEU 64 + HB2 LYS 82 OK 100 100 100 100 1.9-3.1 10252=99, 9758/1.8=73...(29) QG2 VAL 32 + HB3 ARG 30 OK 31 48 100 66 3.7-4.6 10335=22, ~8945=16...(14) QD1 LEU 38 - HB3 ARG 30 far 3 61 5 - 5.6-8.7 QD2 LEU 38 - HB3 ARG 30 far 2 37 5 - 5.5-8.6 QD1 LEU 57 - HB2 LYS 82 far 0 81 0 - 5.9-6.9 HG13 ILE 8 - HB3 ARG 30 far 0 38 0 - 6.8-8.6 QD2 LEU 103 - HB2 LYS 82 far 0 79 0 - 6.8-19.4 QD1 LEU 103 - HB2 LYS 82 far 0 99 0 - 7.6-18.1 HG13 ILE 7 - HB3 ARG 30 far 0 31 0 - 8.4-9.2 HG13 ILE 8 - HB2 LYS 82 far 0 73 0 - 8.5-11.2 QD1 LEU 57 - HB3 ARG 30 far 0 43 0 - 9.2-11.2 QD2 LEU 38 - HB2 LYS 82 far 0 71 0 - 9.2-10.6 QD1 LEU 38 - HB2 LYS 82 far 0 100 0 - 9.3-12.0 QG2 ILE 76 - HB3 ARG 30 far 0 43 0 - 9.6-10.9 QG2 VAL 32 - HB2 LYS 82 far 0 87 0 - 9.7-11.7 HG13 ILE 7 - HB2 LYS 82 far 0 61 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 9757 from cnoeabs.peaks (0.69, 1.34, 32.60 ppm; 3.72 A): 4 out of 22 assignments used, quality = 0.99: QG2 VAL 58 + HB2 LYS 82 OK 94 94 100 100 2.5-3.6 9759/1.8=59...(27) QD2 LEU 6 + HB3 ARG 30 OK 58 61 100 96 1.8-4.3 8717/1.8=44...(21) QG1 VAL 58 + HB2 LYS 82 OK 36 82 45 98 4.1-5.7 ~9759=39, ~10228=32...(25) QD1 LEU 29 + HB3 ARG 30 OK 20 29 90 79 4.0-5.9 4.6/6484=27, 8717/1.8=22...(17) QD1 ILE 56 - HB3 ARG 30 far 0 57 0 - 5.5-9.2 QG1 VAL 5 - HB3 ARG 30 far 0 37 0 - 5.9-7.2 HG13 ILE 56 - HB3 ARG 30 far 0 51 0 - 6.4-9.7 QD1 ILE 8 - HB3 ARG 30 far 0 55 0 - 6.5-7.9 QD1 ILE 8 - HB2 LYS 82 far 0 96 0 - 6.7-8.1 QG2 VAL 54 - HB3 ARG 30 far 0 30 0 - 6.9-8.6 QD1 LEU 42 - HB3 ARG 30 far 0 61 0 - 7.5-8.6 QD1 ILE 56 - HB2 LYS 82 far 0 97 0 - 7.8-10.2 QG1 VAL 58 - HB3 ARG 30 far 0 44 0 - 8.1-9.6 QD1 LEU 14 - HB2 LYS 82 far 0 96 0 - 8.2-8.9 QD2 LEU 14 - HB2 LYS 82 far 0 96 0 - 8.9-9.8 QD1 ILE 52 - HB3 ARG 30 far 0 62 0 - 8.9-11.0 QD2 LEU 14 - HB3 ARG 30 far 0 56 0 - 8.9-9.7 HG13 ILE 56 - HB2 LYS 82 far 0 91 0 - 9.0-11.3 QG2 VAL 78 - HB3 ARG 30 far 0 43 0 - 9.0-11.0 QD2 LEU 27 - HB3 ARG 30 far 0 34 0 - 9.3-11.3 QG2 VAL 78 - HB2 LYS 82 far 0 81 0 - 9.5-10.3 QG1 VAL 5 - HB2 LYS 82 far 0 71 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9758 from cnoeabs.peaks (0.85, 1.76, 32.60 ppm; 4.27 A): 1 out of 5 assignments used, quality = 0.98: QD2 LEU 64 + HB3 LYS 82 OK 98 98 100 100 2.7-4.5 10252/1.8=89, 10253=74...(26) QD1 LEU 57 - HB3 LYS 82 far 0 90 0 - 5.8-7.1 QD2 LEU 103 - HB3 LYS 82 far 0 88 0 - 7.2-19.6 QD1 LEU 103 - HB3 LYS 82 far 0 96 0 - 7.5-18.2 HG13 ILE 8 - HB3 LYS 82 far 0 61 0 - 9.8-12.2 Violated in 4 structures by 0.02 A. Peak 9759 from cnoeabs.peaks (0.69, 1.76, 32.60 ppm; 4.25 A): 1 out of 6 assignments used, quality = 0.98: QG2 VAL 58 + HB3 LYS 82 OK 98 98 100 100 3.6-4.3 10228/3.0=73...(21) QG1 VAL 58 - HB3 LYS 82 far 7 71 10 - 5.4-6.6 QD1 LEU 14 - HB3 LYS 82 far 0 99 0 - 7.6-8.9 QD1 ILE 8 - HB3 LYS 82 far 0 90 0 - 8.1-9.0 QD1 ILE 56 - HB3 LYS 82 far 0 92 0 - 8.8-11.0 QD2 LEU 14 - HB3 LYS 82 far 0 91 0 - 9.0-9.4 Violated in 1 structures by 0.00 A. Peak 9760 from cnoeabs.peaks (0.67, 1.06, 25.00 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 58 + HG2 LYS 82 OK 100 100 100 100 1.8-2.4 10222/1.8=77...(25) QD1 LEU 14 - HG2 LYS 82 far 0 99 0 - 6.9-8.4 QD2 LEU 14 - HG2 LYS 82 far 0 57 0 - 8.0-8.8 QD1 ILE 56 - HG2 LYS 82 far 0 59 0 - 8.4-10.4 Violated in 0 structures by 0.00 A. Peak 9761 from cnoeabs.peaks (0.75, 1.06, 25.00 ppm; 3.92 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 64 + HG2 LYS 82 OK 100 100 100 100 3.8-4.4 10254/2.9=50, ~10252=37...(37) QG1 VAL 58 + HG2 LYS 82 OK 82 82 100 100 4.2-4.9 2.1/9760=66, ~10222=46...(28) QG2 ILE 8 - HG2 LYS 82 far 0 59 0 - 6.1-7.5 QD1 ILE 8 - HG2 LYS 82 far 0 61 0 - 6.3-7.3 QD2 LEU 14 - HG2 LYS 82 far 0 59 0 - 8.0-8.8 HG3 ARG 81 - HG2 LYS 82 far 0 99 0 - 8.7-9.7 HG13 ILE 56 - HG2 LYS 82 far 0 71 0 - 9.8-11.2 Violated in 4 structures by 0.02 A. Peak 9762 from cnoeabs.peaks (0.78, 1.14, 25.00 ppm; 4.35 A): 1 out of 13 assignments used, quality = 0.65: QD1 LEU 64 + HG3 LYS 82 OK 65 65 100 100 4.5-5.4 ~10252=47, ~9758=41...(28) QG2 ILE 8 - HG3 LYS 82 far 0 99 0 - 6.6-8.7 QD1 ILE 76 - HG2 LYS 40 far 0 38 0 - 7.0-9.0 QD2 LEU 42 - HG2 LYS 40 far 0 46 0 - 7.0-8.8 QD1 LEU 6 - HG2 LYS 40 far 0 48 0 - 7.0-8.6 QD2 LEU 57 - HG3 LYS 82 far 0 94 0 - 7.5-9.5 QD1 LEU 70 - HG2 LYS 40 far 0 24 0 - 7.6-9.5 QD2 LEU 70 - HG2 LYS 40 far 0 32 0 - 7.6-11.2 HG3 ARG 81 - HG3 LYS 82 far 0 61 0 - 8.8-9.5 QG1 VAL 54 - HG2 LYS 40 far 0 43 0 - 9.2-10.6 QG2 ILE 7 - HG3 LYS 82 far 0 91 0 - 9.4-10.6 QG1 VAL 78 - HG2 LYS 40 far 0 30 0 - 9.7-11.5 QD1 ILE 15 - HG3 LYS 82 far 0 94 0 - 9.8-11.2 Violated in 20 structures by 0.76 A. Peak 9763 from cnoeabs.peaks (0.66, 1.14, 25.00 ppm; 4.18 A): 1 out of 6 assignments used, quality = 0.98: QG2 VAL 58 + HG3 LYS 82 OK 98 98 100 100 2.2-3.8 10222=94, 9760/1.8=77...(20) QD1 LEU 14 - HG3 LYS 82 far 0 96 0 - 6.5-7.9 QD1 LEU 42 - HG2 LYS 40 far 0 35 0 - 7.3-8.0 QD2 LEU 6 - HG2 LYS 40 far 0 37 0 - 7.5-9.4 QD1 ILE 52 - HG2 LYS 40 far 0 30 0 - 9.4-11.3 QG2 VAL 54 - HG2 LYS 40 far 0 48 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 9764 from cnoeabs.peaks (4.35, 1.34, 32.60 ppm; 5.07 A): 2 out of 2 assignments used, quality = 1.00: HA ARG 81 + HB2 LYS 82 OK 99 99 100 100 4.2-4.7 7324/7332=94, 9743=89...(16) HA ASP 61 + HB2 LYS 82 OK 98 98 100 100 3.5-5.0 9446=84, 9766/3.5=65...(22) Violated in 0 structures by 0.00 A. Peak 9765 from cnoeabs.peaks (4.33, 1.76, 32.60 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.95: HA ARG 81 + HB3 LYS 82 OK 81 82 100 98 4.5-5.2 3.6/3659=76, 9743/1.8=54...(16) HA ASP 61 + HB3 LYS 82 OK 75 77 100 98 4.3-5.9 9446/1.8=48, 9766/3.5=43...(15) HA ASP 65 - HB3 LYS 82 far 0 90 0 - 7.9-9.9 Violated in 1 structures by 0.00 A. Peak 9766 from cnoeabs.peaks (4.36, 1.46, 28.90 ppm; 4.82 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 61 + HD2 LYS 82 OK 100 100 100 100 2.2-4.8 9767/1.8=73, 9446/3.5=53...(23) HA ARG 81 - HD2 LYS 82 poor 20 100 20 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 9767 from cnoeabs.peaks (4.37, 1.57, 28.90 ppm; 5.08 A): 1 out of 2 assignments used, quality = 1.00: HA ASP 61 + HD3 LYS 82 OK 100 100 100 100 2.4-3.8 9766/1.8=86, 3.0/9443=68...(27) HA ARG 81 - HD3 LYS 82 far 0 100 0 - 7.6-8.1 Violated in 0 structures by 0.00 A. Peak 9768 from cnoeabs.peaks (0.68, 1.57, 28.90 ppm; 5.29 A): 1 out of 4 assignments used, quality = 1.00: QG2 VAL 58 + HD3 LYS 82 OK 100 100 100 100 3.3-4.3 10222/2.9=88...(20) QD1 ILE 8 - HD3 LYS 82 far 0 70 0 - 7.7-9.2 QD1 LEU 14 - HD3 LYS 82 far 0 100 0 - 8.2-9.5 QD2 LEU 14 - HD3 LYS 82 far 0 71 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 9769 from cnoeabs.peaks (4.35, 2.74, 41.51 ppm; 5.24 A): 2 out of 2 assignments used, quality = 0.99: HA ASP 61 + HE2 LYS 82 OK 98 98 100 100 1.9-5.1 9766/3.0=75, 9767/3.0=68...(24) HA ARG 81 + HE2 LYS 82 OK 32 99 35 91 6.1-8.1 7324/3714=56...(7) Violated in 0 structures by 0.00 A. Peak 9774 from cnoeabs.peaks (7.69, 2.11, 35.30 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: H SER 85 + HB VAL 83 OK 100 100 100 100 2.3-3.2 9779/2.1=74...(17) Violated in 0 structures by 0.00 A. Peak 9775 from cnoeabs.peaks (7.42, 2.11, 35.30 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: H ALA 89 + HB VAL 83 OK 100 100 100 100 3.7-4.4 7407/9821=77...(24) HE3 TRP 92 + HB VAL 83 OK 99 100 100 100 5.6-5.9 2.5/9776=61, ~9781=45...(16) Violated in 0 structures by 0.00 A. Peak 9776 from cnoeabs.peaks (7.07, 2.11, 35.30 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: HZ3 TRP 92 + HB VAL 83 OK 100 100 100 100 5.1-5.9 9781/2.1=82...(17) Violated in 19 structures by 0.36 A. Peak 9777 from cnoeabs.peaks (6.85, 2.11, 35.30 ppm; 5.73 A): 1 out of 2 assignments used, quality = 0.60: HD1 TRP 92 + HB VAL 83 OK 60 92 65 100 6.9-7.8 14635/2.1=90, ~9998=80...(14) HD21 ASN 60 - HB VAL 83 far 0 90 0 - 9.2-11.6 Violated in 20 structures by 1.48 A. Peak 9779 from cnoeabs.peaks (7.69, 0.96, 21.21 ppm; 4.14 A): 1 out of 3 assignments used, quality = 1.00: H SER 85 + QG2 VAL 83 OK 100 100 100 100 3.1-4.3 9774/2.1=70...(17) H LEU 64 - QG2 VAL 83 far 0 81 0 - 7.0-7.9 H MET 21 - QG2 VAL 83 far 0 100 0 - 9.9-10.6 Violated in 5 structures by 0.02 A. Peak 9780 from cnoeabs.peaks (7.42, 0.96, 21.21 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: H ALA 89 + QG2 VAL 83 OK 100 100 100 100 3.6-4.2 7407/9931=75...(30) HE3 TRP 92 + QG2 VAL 83 OK 98 99 100 99 4.4-4.7 2.5/9781=48, 9794/2.1=33...(25) Violated in 0 structures by 0.00 A. Peak 9781 from cnoeabs.peaks (7.07, 0.96, 21.21 ppm; 4.92 A): 1 out of 2 assignments used, quality = 1.00: HZ3 TRP 92 + QG2 VAL 83 OK 100 100 100 100 4.2-4.7 9776/2.1=71...(23) QD PHE 96 - QG2 VAL 83 far 0 68 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 9782 from cnoeabs.peaks (6.86, 0.96, 21.21 ppm; 4.45 A): 0 out of 2 assignments used, quality = 0.00: HD21 ASN 60 - QG2 VAL 83 far 0 99 0 - 6.2-8.6 HD1 TRP 92 - QG2 VAL 83 far 0 99 0 - 6.6-7.6 Violated in 20 structures by 1.70 A. Peak 9783 from cnoeabs.peaks (5.38, 0.96, 21.21 ppm; 4.86 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 57 + QG2 VAL 83 OK 99 99 100 100 2.6-3.5 6945/9788=77...(28) Violated in 0 structures by 0.00 A. Peak 9784 from cnoeabs.peaks (5.05, 0.96, 21.21 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.99: HA SER 59 + QG2 VAL 83 OK 99 99 100 100 2.9-3.7 9772/7354=87...(12) Violated in 0 structures by 0.00 A. Peak 9785 from cnoeabs.peaks (4.71, 0.96, 21.21 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.99: HA LYS 82 + QG2 VAL 83 OK 99 99 100 99 3.4-3.7 7343/7354=80...(13) HA LEU 55 - QG2 VAL 83 far 0 59 0 - 8.1-9.1 Violated in 0 structures by 0.00 A. Peak 9786 from cnoeabs.peaks (4.58, 0.96, 21.21 ppm; 4.89 A): 1 out of 4 assignments used, quality = 1.00: HA THR 84 + QG2 VAL 83 OK 100 100 100 100 3.8-4.3 3.0/7361=85, 3.6/9779=71...(14) HA ILE 8 - QG2 VAL 83 far 0 81 0 - 6.4-7.2 HA ASP 11 - QG2 VAL 83 far 0 98 0 - 8.0-9.4 HA HIS 105 - QG2 VAL 83 far 0 99 0 - 8.2-17.2 Violated in 0 structures by 0.00 A. Peak 9787 from cnoeabs.peaks (8.76, 0.96, 21.21 ppm; 5.36 A): 2 out of 2 assignments used, quality = 1.00: H ARG 81 + QG2 VAL 83 OK 99 100 100 99 5.2-5.7 10926/9788=73...(16) H LYS 82 + QG2 VAL 83 OK 67 68 100 100 5.0-5.5 3.0/9785=87, 4.5/7354=81...(13) Violated in 0 structures by 0.00 A. Peak 9788 from cnoeabs.peaks (8.54, 0.96, 21.21 ppm; 4.26 A): 1 out of 4 assignments used, quality = 1.00: H VAL 58 + QG2 VAL 83 OK 100 100 100 100 2.8-3.5 9771/7354=64...(19) H ASP 61 - QG2 VAL 83 far 0 61 0 - 8.2-8.9 H LYS 12 - QG2 VAL 83 far 0 88 0 - 9.1-10.1 H ARG 79 - QG2 VAL 83 far 0 57 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 9791 from cnoeabs.peaks (8.73, 1.01, 23.61 ppm; 6.35 A): 2 out of 2 assignments used, quality = 1.00: H LYS 82 + QG1 VAL 83 OK 98 99 100 100 4.1-4.7 3.0/9799=97, 4.5/7355=93...(10) H ARG 81 + QG1 VAL 83 OK 83 84 100 99 4.9-5.5 11122/9797=68...(13) Violated in 0 structures by 0.00 A. Peak 9792 from cnoeabs.peaks (8.53, 1.01, 23.61 ppm; 5.30 A): 1 out of 2 assignments used, quality = 0.96: H VAL 58 + QG1 VAL 83 OK 96 96 100 100 4.0-4.5 9788/2.1=91...(17) H ARG 79 - QG1 VAL 83 far 0 81 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 9793 from cnoeabs.peaks (7.68, 1.01, 23.61 ppm; 4.91 A): 1 out of 2 assignments used, quality = 1.00: H SER 85 + QG1 VAL 83 OK 100 100 100 100 4.0-4.4 9779/2.1=90, 9774/2.1=88...(16) H LEU 64 - QG1 VAL 83 far 0 68 0 - 8.1-8.8 Violated in 0 structures by 0.00 A. Peak 9794 from cnoeabs.peaks (7.43, 1.01, 23.61 ppm; 4.03 A): 2 out of 3 assignments used, quality = 1.00: HE3 TRP 92 + QG1 VAL 83 OK 99 100 100 100 2.7-3.0 5.1/9796=39, 2.5/9795=37...(25) H ALA 89 + QG1 VAL 83 OK 98 98 100 100 3.2-3.7 7407/9810=73...(31) H ARG 91 - QG1 VAL 83 far 11 71 15 - 5.5-6.2 Violated in 0 structures by 0.00 A. Peak 9795 from cnoeabs.peaks (7.05, 1.01, 23.61 ppm; 5.53 A): 1 out of 2 assignments used, quality = 0.97: HZ3 TRP 92 + QG1 VAL 83 OK 97 97 100 100 2.2-2.9 9781/2.1=81, 9776/2.1=74...(24) QD PHE 96 - QG1 VAL 83 far 0 93 0 - 7.7-8.7 Violated in 0 structures by 0.00 A. Peak 9796 from cnoeabs.peaks (6.87, 1.01, 23.61 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.44: HD1 TRP 92 + QG1 VAL 83 OK 44 100 45 98 4.7-5.4 14635=60, 2.6/9998=53...(18) HD21 ASN 60 - QG1 VAL 83 far 0 100 0 - 8.3-10.3 Violated in 20 structures by 1.51 A. Peak 9797 from cnoeabs.peaks (5.39, 1.01, 23.61 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 57 + QG1 VAL 83 OK 100 100 100 100 3.2-4.1 2.9/9809=83, 9783/2.1=74...(27) Violated in 0 structures by 0.00 A. Peak 9798 from cnoeabs.peaks (5.08, 1.01, 23.61 ppm; 5.60 A): 1 out of 2 assignments used, quality = 0.92: HA SER 59 + QG1 VAL 83 OK 92 92 100 100 5.0-5.6 10721/7355=79...(12) HA VAL 5 - QG1 VAL 83 far 0 88 0 - 8.8-9.6 Violated in 3 structures by 0.00 A. Peak 9799 from cnoeabs.peaks (4.71, 1.01, 23.61 ppm; 4.54 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 82 + QG1 VAL 83 OK 99 99 100 100 3.7-4.1 7343/7355=81...(13) HA LEU 55 - QG1 VAL 83 far 0 59 0 - 7.6-8.7 HA ARG 79 - QG1 VAL 83 far 0 100 0 - 9.2-10.1 Violated in 0 structures by 0.00 A. Peak 9800 from cnoeabs.peaks (4.59, 1.01, 23.61 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.96: HA THR 84 + QG1 VAL 83 OK 96 96 100 100 5.4-5.6 3.0/7362=93, 9786/2.1=86...(12) HA HIS 105 - QG1 VAL 83 far 10 100 10 - 5.7-15.3 HA ILE 8 - QG1 VAL 83 far 0 96 0 - 8.3-9.5 Violated in 7 structures by 0.01 A. Peak 9804 from cnoeabs.peaks (0.80, 2.11, 35.30 ppm; 4.11 A): 1 out of 7 assignments used, quality = 0.79: QD1 LEU 57 + HB VAL 83 OK 79 84 95 100 3.3-5.6 9808/2.1=47, 3.1/9820=45...(28) QD2 LEU 57 - HB VAL 83 far 0 100 0 - 5.9-6.8 QD1 ILE 93 - HB VAL 83 far 0 73 0 - 7.0-7.7 QG2 ILE 7 - HB VAL 83 far 0 100 0 - 7.9-8.6 QD2 LEU 103 - HB VAL 83 far 0 85 0 - 8.1-19.2 QG2 ILE 8 - HB VAL 83 far 0 96 0 - 8.8-9.9 QG2 ILE 15 - HB VAL 83 far 0 99 0 - 9.7-10.3 Violated in 7 structures by 0.22 A. Peak 9805 from cnoeabs.peaks (0.69, 2.11, 35.30 ppm; 3.95 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 14 + HB VAL 83 OK 98 98 100 100 3.0-3.8 9807/2.1=57, ~10403=52...(24) QD2 LEU 14 + HB VAL 83 OK 87 93 95 99 5.1-5.5 10403/2.1=78, ~9807=34...(17) QG2 VAL 58 - HB VAL 83 far 0 97 0 - 5.9-6.5 QG1 VAL 58 - HB VAL 83 far 0 75 0 - 7.3-7.8 QG1 VAL 5 - HB VAL 83 far 0 63 0 - 8.1-8.9 QD1 ILE 8 - HB VAL 83 far 0 92 0 - 8.4-10.2 QD1 LEU 29 - HB VAL 83 far 0 65 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 9806 from cnoeabs.peaks (0.70, 0.96, 21.21 ppm; 2.96 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 14 + QG2 VAL 83 OK 97 99 100 98 3.2-3.4 10403=75, 2.1/10402=34...(30) QD1 LEU 14 + QG2 VAL 83 OK 88 90 100 99 2.0-2.5 2.1/10403=53, 10402=45...(34) QG2 VAL 58 + QG2 VAL 83 OK 74 87 100 86 3.6-4.2 10710/7354=23...(16) QG1 VAL 58 - QG2 VAL 83 far 0 91 0 - 4.5-4.9 QD1 ILE 8 - QG2 VAL 83 far 0 99 0 - 5.2-6.8 QG1 VAL 5 - QG2 VAL 83 far 0 82 0 - 5.6-6.2 QD1 ILE 56 - QG2 VAL 83 far 0 99 0 - 6.7-7.8 HG13 ILE 56 - QG2 VAL 83 far 0 96 0 - 7.9-9.2 QD2 LEU 6 - QG2 VAL 83 far 0 98 0 - 8.3-8.7 QG2 VAL 78 - QG2 VAL 83 far 0 90 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 9807 from cnoeabs.peaks (0.69, 1.01, 23.61 ppm; 3.32 A): 2 out of 11 assignments used, quality = 0.98: QD1 LEU 14 + QG1 VAL 83 OK 96 97 100 99 3.6-4.2 10402/2.1=41, ~10403=36...(31) QG2 VAL 58 + QG1 VAL 83 OK 46 96 55 87 4.6-5.0 10710/7355=32...(13) QD2 LEU 14 - QG1 VAL 83 far 0 95 0 - 5.2-5.5 QG1 VAL 58 - QG1 VAL 83 far 0 79 0 - 5.4-6.1 QG1 VAL 5 - QG1 VAL 83 far 0 68 0 - 5.8-6.8 QD1 ILE 8 - QG1 VAL 83 far 0 94 0 - 6.7-8.2 QD1 LEU 29 - QG1 VAL 83 far 0 61 0 - 6.8-9.1 QD1 ILE 56 - QG1 VAL 83 far 0 96 0 - 7.3-8.2 HG13 ILE 56 - QG1 VAL 83 far 0 88 0 - 8.6-9.7 QG2 VAL 78 - QG1 VAL 83 far 0 77 0 - 9.1-9.9 QD2 LEU 6 - QG1 VAL 83 far 0 100 0 - 9.1-9.9 Violated in 20 structures by 0.41 A. Peak 9808 from cnoeabs.peaks (0.80, 1.01, 23.61 ppm; 3.03 A): 2 out of 12 assignments used, quality = 0.97: QD1 LEU 57 + QG1 VAL 83 OK 83 84 100 99 1.7-3.1 9804/2.1=37, 3.1/9809=34...(35) QD2 LEU 57 + QG1 VAL 83 OK 82 100 85 97 3.7-4.7 3.1/9809=34, ~9804=23...(30) QD2 LEU 103 - QG1 VAL 83 far 0 85 0 - 5.2-14.5 QD1 ILE 93 - QG1 VAL 83 far 0 73 0 - 5.2-6.2 QG2 ILE 7 - QG1 VAL 83 far 0 100 0 - 6.7-7.5 QG2 ILE 8 - QG1 VAL 83 far 0 96 0 - 7.2-8.5 QG2 VAL 32 - QG1 VAL 83 far 0 77 0 - 8.5-9.7 QG2 ILE 15 - QG1 VAL 83 far 0 99 0 - 8.7-9.2 QD1 LEU 27 - QG1 VAL 83 far 0 71 0 - 8.7-9.6 QD1 LEU 6 - QG1 VAL 83 far 0 75 0 - 9.0-9.6 QD2 LEU 38 - QG1 VAL 83 far 0 91 0 - 9.0-10.5 QD2 LEU 42 - QG1 VAL 83 far 0 68 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9809 from cnoeabs.peaks (1.19, 1.01, 23.61 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.99: HB2 LEU 57 + QG1 VAL 83 OK 99 99 100 100 2.3-3.8 9819/2.1=58, 9820/2.1=43...(29) HB2 LEU 6 - QG1 VAL 83 far 0 99 0 - 9.0-9.9 HB2 LEU 29 - QG1 VAL 83 far 0 81 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 9810 from cnoeabs.peaks (1.33, 1.01, 23.61 ppm; 3.35 A): 1 out of 8 assignments used, quality = 0.99: QB ALA 89 + QG1 VAL 83 OK 99 100 100 100 3.1-3.7 9931/2.1=67, 2.1/9824=64...(29) HB2 LYS 82 - QG1 VAL 83 far 0 99 0 - 5.1-5.8 HG LEU 14 - QG1 VAL 83 far 0 95 0 - 5.6-6.7 HG12 ILE 8 - QG1 VAL 83 far 0 77 0 - 7.7-9.6 QB ALA 67 - QG1 VAL 83 far 0 100 0 - 8.3-8.9 HG2 LYS 94 - QG1 VAL 83 far 0 100 0 - 9.4-11.9 HG3 LYS 68 - QG1 VAL 83 far 0 96 0 - 9.6-12.6 QB ALA 25 - QG1 VAL 83 far 0 100 0 - 9.9-10.8 Violated in 12 structures by 0.10 A. Peak 9811 from cnoeabs.peaks (1.49, 1.01, 23.61 ppm; 4.44 A): 2 out of 11 assignments used, quality = 0.99: HG LEU 57 + QG1 VAL 83 OK 98 98 100 100 3.5-4.2 3.0/9809=73, ~9804=53...(28) HB2 ARG 91 + QG1 VAL 83 OK 54 100 95 57 5.4-6.9 4033/10993=24...(6) HD2 LYS 82 - QG1 VAL 83 poor 15 77 20 - 5.6-7.1 HB3 LEU 64 - QG1 VAL 83 far 0 100 0 - 6.2-6.9 HB2 LEU 14 - QG1 VAL 83 far 0 71 0 - 6.3-7.0 HG3 ARG 91 - QG1 VAL 83 far 0 63 0 - 6.5-6.9 HB3 LEU 103 - QG1 VAL 83 far 0 70 0 - 6.5-14.3 HB ILE 7 - QG1 VAL 83 far 0 71 0 - 7.0-8.3 HG LEU 64 - QG1 VAL 83 far 0 99 0 - 8.1-8.9 HG3 LYS 13 - QG1 VAL 83 far 0 99 0 - 9.8-11.2 HG LEU 6 - QG1 VAL 83 far 0 65 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 9812 from cnoeabs.peaks (1.68, 1.01, 23.61 ppm; 5.12 A): 0 out of 9 assignments used, quality = 0.00: HB3 ARG 91 - QG1 VAL 83 far 5 100 5 - 5.5-7.3 HD3 LYS 90 - QG1 VAL 83 far 0 95 0 - 6.7-8.9 HG12 ILE 15 - QG1 VAL 83 far 0 97 0 - 8.1-8.9 HG2 PRO 86 - QG1 VAL 83 far 0 98 0 - 8.4-8.7 HB3 LEU 6 - QG1 VAL 83 far 0 75 0 - 8.5-9.5 HB3 ARG 79 - QG1 VAL 83 far 0 85 0 - 8.5-10.3 HD2 LYS 13 - QG1 VAL 83 far 0 91 0 - 8.5-12.5 HD3 LYS 13 - QG1 VAL 83 far 0 88 0 - 8.7-11.9 HG2 LYS 68 - QG1 VAL 83 far 0 63 0 - 9.5-12.7 Violated in 20 structures by 0.60 A. Peak 9813 from cnoeabs.peaks (1.81, 1.01, 23.61 ppm; 3.64 A): 2 out of 8 assignments used, quality = 1.00: HB2 GLU 88 + QG1 VAL 83 OK 100 100 100 100 1.8-3.4 9822/2.1=62, 3.0/9814=42...(33) HB3 LEU 57 + QG1 VAL 83 OK 95 96 100 100 3.8-5.0 1.8/9809=67, 2.9/9797=37...(31) HB2 GLU 104 - QG1 VAL 83 far 0 100 0 - 6.0-15.1 HB ILE 93 - QG1 VAL 83 far 0 100 0 - 7.1-7.8 HB2 LYS 90 - QG1 VAL 83 far 0 100 0 - 7.2-8.2 HB3 LYS 90 - QG1 VAL 83 far 0 84 0 - 7.9-8.5 HB3 GLU 63 - QG1 VAL 83 far 0 77 0 - 8.0-10.1 HB2 LYS 68 - QG1 VAL 83 far 0 77 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9814 from cnoeabs.peaks (1.92, 1.01, 23.61 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.92: HG3 GLU 88 + QG1 VAL 83 OK 92 92 100 100 1.9-3.7 9973/9998=46, ~9822=44...(30) HB ILE 8 - QG1 VAL 83 far 0 81 0 - 7.0-8.3 HB3 LEU 14 - QG1 VAL 83 far 0 91 0 - 7.1-7.9 HB2 GLU 17 - QG1 VAL 83 far 0 94 0 - 7.9-9.7 HB2 LYS 94 - QG1 VAL 83 far 0 100 0 - 8.8-11.0 Violated in 0 structures by 0.00 A. Peak 9815 from cnoeabs.peaks (1.93, 0.96, 21.21 ppm; 4.41 A): 2 out of 8 assignments used, quality = 0.99: HG3 GLU 88 + QG2 VAL 83 OK 94 94 100 100 4.4-4.8 9814/2.1=72...(28) HB3 LEU 14 + QG2 VAL 83 OK 88 88 100 99 5.1-5.7 3.1/10403=77...(17) HB ILE 8 - QG2 VAL 83 poor 18 77 55 42 5.4-6.3 8300/9367=21...(5) HB2 GLU 17 - QG2 VAL 83 far 0 96 0 - 7.0-9.3 HB VAL 32 - QG2 VAL 83 far 0 96 0 - 8.7-9.9 HB2 LYS 13 - QG2 VAL 83 far 0 99 0 - 9.0-9.7 HB2 ARG 19 - QG2 VAL 83 far 0 71 0 - 9.5-11.5 HB3 LYS 13 - QG2 VAL 83 far 0 99 0 - 9.9-10.4 Violated in 11 structures by 0.02 A. Peak 9816 from cnoeabs.peaks (1.80, 0.96, 21.21 ppm; 3.76 A): 3 out of 10 assignments used, quality = 1.00: HB2 GLU 88 + QG2 VAL 83 OK 100 100 100 100 3.9-4.9 9822/2.1=65...(33) HB3 LEU 57 + QG2 VAL 83 OK 89 90 100 100 3.2-3.7 1.8/9819=62, ~9809=44...(32) HB3 LYS 82 + QG2 VAL 83 OK 25 61 45 89 5.1-5.6 3.0/9785=48, 4.6/7354=41...(11) HB3 GLU 63 - QG2 VAL 83 far 0 87 0 - 6.4-8.4 HB ILE 56 - QG2 VAL 83 far 0 59 0 - 6.4-7.5 HB2 LYS 90 - QG2 VAL 83 far 0 99 0 - 6.8-8.2 HB3 LYS 90 - QG2 VAL 83 far 0 73 0 - 7.3-8.9 HB ILE 93 - QG2 VAL 83 far 0 100 0 - 7.4-8.5 HB2 GLU 104 - QG2 VAL 83 far 0 100 0 - 8.5-17.2 HB2 LYS 68 - QG2 VAL 83 far 0 65 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 9817 from cnoeabs.peaks (1.48, 0.96, 21.21 ppm; 4.32 A): 2 out of 10 assignments used, quality = 0.97: HG LEU 57 + QG2 VAL 83 OK 94 94 100 100 3.3-4.2 3.0/9819=59, ~9804=50...(24) HB2 LEU 14 + QG2 VAL 83 OK 59 59 100 99 4.7-5.4 3.1/10403=75...(16) HB3 LEU 64 - QG2 VAL 83 far 15 100 15 - 5.7-6.5 HD2 LYS 82 - QG2 VAL 83 far 4 87 5 - 5.7-7.0 HB ILE 7 - QG2 VAL 83 far 3 59 5 - 5.8-6.6 HB2 ARG 91 - QG2 VAL 83 far 0 100 0 - 7.0-8.4 HG3 ARG 91 - QG2 VAL 83 far 0 75 0 - 7.5-8.1 HG LEU 64 - QG2 VAL 83 far 0 100 0 - 8.0-8.9 HG3 LYS 13 - QG2 VAL 83 far 0 97 0 - 8.1-9.4 HB3 LEU 103 - QG2 VAL 83 far 0 57 0 - 8.3-16.1 Violated in 0 structures by 0.00 A. Peak 9818 from cnoeabs.peaks (1.33, 0.96, 21.21 ppm; 3.16 A): 2 out of 5 assignments used, quality = 1.00: QB ALA 89 + QG2 VAL 83 OK 98 98 100 100 1.9-2.9 9931=85, 9810/2.1=58...(30) HG LEU 14 + QG2 VAL 83 OK 79 88 95 95 3.9-4.8 2.1/10403=59...(18) HB2 LYS 82 - QG2 VAL 83 far 0 96 0 - 5.5-5.8 HG12 ILE 8 - QG2 VAL 83 far 0 65 0 - 6.0-7.6 QB ALA 67 - QG2 VAL 83 far 0 99 0 - 7.4-8.1 Violated in 0 structures by 0.00 A. Peak 9819 from cnoeabs.peaks (1.20, 0.96, 21.21 ppm; 3.51 A): 2 out of 3 assignments used, quality = 1.00: HB2 LEU 57 + QG2 VAL 83 OK 100 100 100 100 1.8-2.3 9809/2.1=56, 9354=44...(29) QB ALA 18 + QG2 VAL 83 OK 29 81 80 45 4.7-5.3 12013/10403=18...(11) HB2 LEU 6 - QG2 VAL 83 far 0 92 0 - 7.8-8.5 Violated in 0 structures by 0.00 A. Peak 9820 from cnoeabs.peaks (1.20, 2.11, 35.30 ppm; 4.94 A): 1 out of 2 assignments used, quality = 1.00: HB2 LEU 57 + HB VAL 83 OK 100 100 100 100 4.1-4.9 9809/2.1=90, 3.1/9804=78...(22) QB ALA 18 - HB VAL 83 far 0 81 0 - 6.5-7.4 Violated in 0 structures by 0.00 A. Peak 9821 from cnoeabs.peaks (1.34, 2.11, 35.30 ppm; 4.12 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 89 + HB VAL 83 OK 100 100 100 100 3.2-4.2 9931/2.1=89, 9810/2.1=87...(21) HG LEU 14 - HB VAL 83 far 15 99 15 - 5.5-6.8 HB2 LYS 82 - HB VAL 83 far 0 100 0 - 7.5-7.7 HG12 ILE 8 - HB VAL 83 far 0 87 0 - 9.6-11.5 Violated in 1 structures by 0.00 A. Peak 9822 from cnoeabs.peaks (1.81, 2.11, 35.30 ppm; 3.89 A): 1 out of 7 assignments used, quality = 1.00: HB2 GLU 88 + HB VAL 83 OK 100 100 100 100 2.9-3.5 12222/3.0=47...(30) HB3 LEU 57 - HB VAL 83 far 0 96 0 - 5.6-6.5 HB2 LYS 90 - HB VAL 83 far 0 100 0 - 8.3-9.6 HB2 GLU 104 - HB VAL 83 far 0 100 0 - 9.0-20.4 HB3 LYS 90 - HB VAL 83 far 0 84 0 - 9.0-10.4 HB ILE 93 - HB VAL 83 far 0 100 0 - 9.3-10.3 HB3 GLU 63 - HB VAL 83 far 0 77 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 9823 from cnoeabs.peaks (4.08, 1.01, 23.61 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.98: HA PRO 86 + QG1 VAL 83 OK 98 99 100 99 5.5-6.0 10971/9810=86...(8) Violated in 18 structures by 0.21 A. Peak 9824 from cnoeabs.peaks (3.90, 1.01, 23.61 ppm; 3.40 A): 1 out of 6 assignments used, quality = 1.00: HA ALA 89 + QG1 VAL 83 OK 100 100 100 100 2.6-3.2 2.1/9810=67, 9928=62...(33) HB2 SER 85 - QG1 VAL 83 far 0 100 0 - 5.5-6.0 HB3 SER 9 - QG1 VAL 83 far 0 77 0 - 6.1-8.0 HA ARG 91 - QG1 VAL 83 far 0 99 0 - 7.3-7.9 HB2 SER 102 - QG1 VAL 83 far 0 100 0 - 9.6-18.5 HA LYS 94 - QG1 VAL 83 far 0 77 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 9825 from cnoeabs.peaks (3.89, 0.96, 21.21 ppm; 3.74 A): 2 out of 6 assignments used, quality = 0.99: HA ALA 89 + QG2 VAL 83 OK 98 99 100 100 2.8-3.9 2.1/9931=78, 9824/2.1=76...(31) HB3 SER 9 + QG2 VAL 83 OK 25 65 90 42 3.6-5.4 10408/10403=19...(8) HB2 SER 85 - QG2 VAL 83 far 0 98 0 - 5.6-6.1 HA ARG 91 - QG2 VAL 83 far 0 100 0 - 8.5-9.3 HA GLU 63 - QG2 VAL 83 far 0 87 0 - 8.7-9.4 HA LYS 12 - QG2 VAL 83 far 0 68 0 - 9.0-9.5 Violated in 0 structures by 0.00 A. Peak 9826 from cnoeabs.peaks (3.67, 0.96, 21.21 ppm; 5.27 A): 3 out of 4 assignments used, quality = 1.00: HA GLU 88 + QG2 VAL 83 OK 98 98 100 100 5.1-5.6 ~9822=62, ~12223=44...(33) HA LEU 14 + QG2 VAL 83 OK 97 99 100 99 6.0-6.7 4.0/10403=81...(8) HA LYS 90 + QG2 VAL 83 OK 23 100 25 92 6.6-7.6 4.8/9825=54, 3.0/9941=39...(8) HB THR 80 - QG2 VAL 83 far 0 100 0 - 6.9-8.4 Violated in 0 structures by 0.00 A. Peak 9827 from cnoeabs.peaks (2.97, 0.96, 21.21 ppm; 6.37 A): 2 out of 7 assignments used, quality = 0.88: HB2 SER 9 + QG2 VAL 83 OK 75 85 100 88 3.9-5.5 12230/9406=46...(8) HB3 ASP 11 + QG2 VAL 83 OK 51 81 100 63 6.2-7.5 8414/10403=38...(6) HE3 LYS 90 - QG2 VAL 83 far 8 77 10 - 7.7-10.0 HE2 LYS 13 - QG2 VAL 83 far 0 100 0 - 7.9-9.8 HG2 MET 21 - QG2 VAL 83 far 0 84 0 - 8.1-9.5 HB2 ASN 10 - QG2 VAL 83 far 0 61 0 - 8.2-10.2 HE3 LYS 13 - QG2 VAL 83 far 0 99 0 - 8.6-11.0 Violated in 0 structures by 0.00 A. Peak 9828 from cnoeabs.peaks (4.02, 0.96, 21.21 ppm; 5.34 A): 1 out of 3 assignments used, quality = 0.95: HB3 SER 59 + QG2 VAL 83 OK 95 96 100 100 3.4-4.6 9406=72, 3.0/9784=70...(12) HA GLU 17 - QG2 VAL 83 far 0 73 0 - 9.4-10.2 HA GLU 16 - QG2 VAL 83 far 0 87 0 - 9.7-10.3 Violated in 0 structures by 0.00 A. Peak 9829 from cnoeabs.peaks (3.89, 2.11, 35.30 ppm; 4.31 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 89 + HB VAL 83 OK 99 99 100 100 4.1-4.9 9824/2.1=90, 2.1/9821=77...(21) HB2 SER 85 + HB VAL 83 OK 85 98 100 87 4.7-5.5 4.0/9774=51...(10) HB3 SER 9 - HB VAL 83 far 0 65 0 - 6.4-7.8 HA ARG 91 - HB VAL 83 far 0 100 0 - 9.5-10.0 Violated in 2 structures by 0.01 A. Peak 9835 from cnoeabs.peaks (0.68, 4.44, 70.10 ppm; 5.11 A): 1 out of 4 assignments used, quality = 0.98: QD1 LEU 14 + HB THR 84 OK 98 100 100 98 5.8-6.6 8425/3.0=78...(8) QG2 VAL 58 - HB THR 84 far 5 100 5 - 6.5-8.5 QD2 LEU 14 - HB THR 84 far 0 82 0 - 7.3-8.3 QG1 VAL 58 - HB THR 84 far 0 59 0 - 8.9-10.7 Violated in 20 structures by 1.09 A. Peak 9836 from cnoeabs.peaks (0.65, 4.58, 60.96 ppm; 5.10 A): 2 out of 3 assignments used, quality = 0.85: QD1 LEU 14 + HA THR 84 OK 81 82 100 99 4.0-5.0 8425=74, 10413/3.6=57...(11) QG2 VAL 58 + HA THR 84 OK 20 85 95 25 5.8-6.8 10221/9786=19...(3) QD1 ILE 7 - HA THR 84 far 0 77 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 9838 from cnoeabs.peaks (1.57, 1.24, 21.00 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.56: HD3 LYS 82 + QG2 THR 84 OK 56 100 60 93 3.9-7.2 3.0/9840=69, 3.0/9841=67 HG3 LYS 90 - QG2 THR 84 far 0 96 0 - 8.5-13.5 Violated in 18 structures by 1.19 A. Peak 9839 from cnoeabs.peaks (2.08, 1.24, 21.00 ppm; 5.05 A): 2 out of 6 assignments used, quality = 0.95: HB3 GLU 88 + QG2 THR 84 OK 81 100 100 81 3.9-6.2 10299/4.3=57...(6) HB VAL 83 + QG2 THR 84 OK 72 73 100 99 3.6-5.1 4.4/7365=71...(8) HB2 LEU 64 - QG2 THR 84 far 0 73 0 - 7.1-10.4 HB2 PRO 86 - QG2 THR 84 far 0 59 0 - 7.9-9.6 HB3 PRO 86 - QG2 THR 84 far 0 87 0 - 8.2-10.1 HG3 GLU 104 - QG2 THR 84 far 0 95 0 - 9.2-20.0 Violated in 0 structures by 0.00 A. Peak 9840 from cnoeabs.peaks (2.72, 1.24, 21.00 ppm; 4.47 A): 1 out of 3 assignments used, quality = 0.47: HE2 LYS 82 + QG2 THR 84 OK 47 93 55 93 3.5-8.7 1.8/9841=76, 3.0/9838=60 HB3 ASP 61 - QG2 THR 84 far 0 98 0 - 6.1-10.7 HB3 ASN 10 - QG2 THR 84 far 0 70 0 - 9.5-12.0 Violated in 18 structures by 1.44 A. Peak 9841 from cnoeabs.peaks (2.87, 1.24, 21.00 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.50: HE3 LYS 82 + QG2 THR 84 OK 50 96 55 94 2.5-8.2 1.8/9840=80, 3.0/9838=61...(4) HB2 ASN 60 - QG2 THR 84 far 0 90 0 - 6.6-9.7 Violated in 14 structures by 1.45 A. Peak 9843 from cnoeabs.peaks (5.05, 1.24, 21.00 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.56: HA SER 59 + QG2 THR 84 OK 56 99 100 57 3.4-5.8 9784/10948=31, ~9405=16...(5) Violated in 9 structures by 0.14 A. Peak 9845 from cnoeabs.peaks (7.57, 3.90, 64.38 ppm; 4.76 A): 1 out of 5 assignments used, quality = 1.00: H GLU 88 + HB2 SER 85 OK 100 100 100 100 2.8-3.8 9847/1.8=77...(21) H LEU 14 - HB3 SER 9 poor 13 65 20 - 5.2-7.4 HD22 ASN 10 - HB3 SER 9 far 0 38 0 - 6.8-8.7 H LEU 14 - HB2 SER 85 far 0 96 0 - 7.7-9.1 H GLU 88 - HB3 SER 9 far 0 72 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9846 from cnoeabs.peaks (8.13, 3.90, 64.38 ppm; 4.63 A): 1 out of 3 assignments used, quality = 1.00: H ASP 87 + HB2 SER 85 OK 100 100 100 100 2.7-4.6 9849/1.8=87, 9898/3.0=64...(18) H TRP 92 - HB2 SER 85 far 0 100 0 - 8.1-9.1 H HIS 106 - HB2 SER 85 far 0 93 0 - 9.9-25.8 Violated in 0 structures by 0.00 A. Peak 9847 from cnoeabs.peaks (7.57, 4.19, 64.38 ppm; 4.85 A): 1 out of 2 assignments used, quality = 1.00: H GLU 88 + HB3 SER 85 OK 100 100 100 100 3.1-4.9 9845/1.8=82...(18) H LEU 14 - HB3 SER 85 far 0 96 0 - 7.4-8.1 Violated in 1 structures by 0.00 A. Peak 9848 from cnoeabs.peaks (7.43, 4.19, 64.38 ppm; 6.06 A): 1 out of 2 assignments used, quality = 1.00: H ALA 89 + HB3 SER 85 OK 100 100 100 100 4.9-6.5 7397/9847=89...(12) H ARG 91 - HB3 SER 85 poor 15 59 25 - 7.2-9.1 Violated in 15 structures by 0.22 A. Peak 9849 from cnoeabs.peaks (8.13, 4.19, 64.38 ppm; 4.24 A): 1 out of 2 assignments used, quality = 0.99: H ASP 87 + HB3 SER 85 OK 99 100 100 99 2.7-4.2 9846/1.8=67, 9898/3.0=55...(16) H TRP 92 - HB3 SER 85 far 0 100 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 9850 from cnoeabs.peaks (7.69, 3.98, 50.67 ppm; 5.14 A): 2 out of 2 assignments used, quality = 1.00: H SER 85 + HD3 PRO 86 OK 100 100 100 100 4.9-5.1 4.8=100 H SER 85 + HD2 PRO 86 OK 100 100 100 100 4.6-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 9851 from cnoeabs.peaks (7.57, 3.98, 50.67 ppm; 6.01 A): 4 out of 4 assignments used, quality = 1.00: H GLU 88 + HD2 PRO 86 OK 100 100 100 100 4.4-4.7 8600/3.8=74, 9845/4.9=70...(14) H GLU 88 + HD3 PRO 86 OK 100 100 100 100 5.6-5.8 8600/3.8=74, 9845/4.9=70...(14) H LEU 14 + HD3 PRO 86 OK 93 93 100 100 4.6-5.1 4.8/12018=71, ~9887=65...(27) H LEU 14 + HD2 PRO 86 OK 93 93 100 100 6.2-6.8 ~9887=65, ~9890=61...(25) Violated in 0 structures by 0.00 A. Peak 9852 from cnoeabs.peaks (8.04, 4.09, 65.04 ppm; 5.08 A): 3 out of 5 assignments used, quality = 1.00: H LYS 90 + HA PRO 86 OK 99 99 100 100 3.7-4.2 9950=98, 3910/10971=85...(20) H ILE 15 + HA PRO 86 OK 65 65 100 99 5.0-5.7 3.6/9885=75, 4.9/8411=64...(14) H GLU 17 + HA PRO 86 OK 57 85 100 67 5.2-6.5 6245/8422=28...(15) H GLU 16 - HA PRO 86 poor 17 90 30 64 6.0-7.1 6228/8422=27...(10) H LYS 13 - HA PRO 86 far 0 63 0 - 7.2-8.1 Violated in 0 structures by 0.00 A. Peak 9853 from cnoeabs.peaks (7.56, 4.09, 65.04 ppm; 5.35 A): 2 out of 2 assignments used, quality = 1.00: H LEU 14 + HA PRO 86 OK 100 100 100 100 4.3-5.3 3.0/9885=88...(28) H GLU 88 + HA PRO 86 OK 96 96 100 100 4.6-4.8 7386/3.5=87...(15) Violated in 0 structures by 0.00 A. Peak 9854 from cnoeabs.peaks (7.42, 4.09, 65.04 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: H ALA 89 + HA PRO 86 OK 100 100 100 100 3.4-3.6 9923=80, 7407/10971=80...(16) HE3 TRP 92 - HA PRO 86 far 0 100 0 - 9.0-9.8 Violated in 0 structures by 0.00 A. Peak 9855 from cnoeabs.peaks (5.12, 4.09, 65.04 ppm; 5.64 A): 1 out of 2 assignments used, quality = 0.95: HA SER 85 + HA PRO 86 OK 95 95 100 100 4.4-4.4 4.8=100 HA ILE 7 - HA PRO 86 far 0 98 0 - 8.4-9.1 Violated in 0 structures by 0.00 A. Peak 9856 from cnoeabs.peaks (7.56, 2.10, 31.71 ppm; 5.92 A): 4 out of 4 assignments used, quality = 1.00: H LEU 14 + HB3 PRO 86 OK 100 100 100 100 5.1-6.1 ~8422=70, ~9885=70...(28) H GLU 88 + HB3 PRO 86 OK 96 96 100 100 5.3-5.6 7386/3.9=90, 9853/2.3=43...(16) H LEU 14 + HB2 PRO 86 OK 91 91 100 100 3.4-4.3 ~8422=70, ~9885=70...(32) H GLU 88 + HB2 PRO 86 OK 85 85 100 100 6.0-6.3 7386/3.9=90, 9853/2.3=43...(14) Violated in 0 structures by 0.00 A. Peak 9857 from cnoeabs.peaks (7.42, 2.10, 31.71 ppm; 6.42 A): 2 out of 2 assignments used, quality = 1.00: H ALA 89 + HB3 PRO 86 OK 100 100 100 100 4.9-5.1 9923/2.3=100, ~10971=86...(20) H ALA 89 + HB2 PRO 86 OK 91 91 100 100 5.5-5.6 9923/2.3=100, ~10971=86...(17) Violated in 0 structures by 0.00 A. Peak 9858 from cnoeabs.peaks (5.13, 2.10, 31.71 ppm; 5.48 A): 2 out of 2 assignments used, quality = 1.00: HA SER 85 + HB3 PRO 86 OK 100 100 100 100 5.7-5.8 9891/2.3=79, 9898/3.9=72...(20) HA SER 85 + HB2 PRO 86 OK 91 91 100 100 4.9-5.0 9891/2.3=79, 9898/3.9=72...(20) Violated in 0 structures by 0.00 A. Peak 9866 from cnoeabs.peaks (1.92, 5.14, 55.20 ppm; 5.07 A): 2 out of 5 assignments used, quality = 0.98: HB3 LEU 14 + HA SER 85 OK 90 91 100 99 4.6-5.4 3.1/8424=45, 1.8/242=45...(17) HG3 GLU 88 + HA SER 85 OK 82 92 90 100 4.5-7.4 10302/3.0=52, ~10301=51...(18) HB2 LYS 13 - HA SER 85 far 0 100 0 - 6.7-7.7 HB2 GLU 17 - HA SER 85 far 0 94 0 - 7.7-10.1 HB3 LYS 13 - HA SER 85 far 0 99 0 - 7.8-8.8 Violated in 0 structures by 0.00 A. Peak 9867 from cnoeabs.peaks (0.69, 5.14, 55.20 ppm; 4.28 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 14 + HA SER 85 OK 99 99 100 100 3.2-3.6 10413/3.0=63, 8424=56...(21) QD2 LEU 14 + HA SER 85 OK 81 91 90 99 4.9-5.8 2.1/8424=42...(20) QG2 VAL 58 - HA SER 85 far 0 98 0 - 8.6-9.8 QG1 VAL 58 - HA SER 85 far 0 71 0 - 9.9-11.0 Violated in 0 structures by 0.00 A. Peak 9868 from cnoeabs.peaks (2.48, 3.90, 64.38 ppm; 5.60 A): 3 out of 4 assignments used, quality = 1.00: HB2 ASP 87 + HB2 SER 85 OK 97 98 100 99 3.1-6.1 4.0/9846=73, 4.6/9845=65...(14) HB3 ASP 87 + HB2 SER 85 OK 96 98 100 99 4.1-6.4 4.0/9846=73, 4.6/9845=65...(12) HD2 ARG 91 + HB2 SER 85 OK 24 100 50 47 6.5-10.2 4070/9846=27...(5) HG3 GLU 63 - HB3 SER 9 poor 8 47 70 25 5.4-7.7 10704/10226=16, 9411/10722=9 Violated in 0 structures by 0.00 A. Peak 9869 from cnoeabs.peaks (2.17, 3.90, 64.38 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.97: HG3 PRO 86 + HB2 SER 85 OK 85 85 100 100 3.6-5.4 9873/1.8=83, 9891/3.0=56...(18) HG2 GLU 88 + HB2 SER 85 OK 77 79 100 98 3.2-6.4 4.9/9845=54...(11) HB2 GLU 63 - HB3 SER 9 poor 13 52 25 - 6.2-8.8 Violated in 0 structures by 0.00 A. Peak 9870 from cnoeabs.peaks (2.09, 3.90, 64.38 ppm; 4.59 A): 4 out of 11 assignments used, quality = 1.00: HB3 GLU 88 + HB2 SER 85 OK 94 96 100 98 4.1-4.9 3.9/9845=52...(13) HB VAL 83 + HB2 SER 85 OK 84 92 100 92 4.7-5.5 9774/4.0=51, 9829=40...(10) HB3 PRO 86 + HB2 SER 85 OK 73 98 75 99 5.1-6.8 3.9/9846=53, ~9873=48...(19) HB2 PRO 86 + HB2 SER 85 OK 61 82 75 99 5.2-6.7 3.9/9846=53, ~9873=48...(18) HB VAL 83 - HB3 SER 9 far 0 61 0 - 6.4-7.8 HB2 PRO 86 - HB3 SER 9 far 0 52 0 - 7.6-9.2 HB3 GLU 88 - HB3 SER 9 far 0 65 0 - 8.0-9.3 HB2 LEU 64 - HB3 SER 9 far 0 61 0 - 8.9-11.9 HB3 PRO 86 - HB3 SER 9 far 0 68 0 - 9.0-10.5 HB2 GLU 16 - HB3 SER 9 far 0 64 0 - 9.2-12.6 HG3 GLU 104 - HB2 SER 85 far 0 100 0 - 9.9-23.8 Violated in 0 structures by 0.00 A. Peak 9871 from cnoeabs.peaks (1.69, 3.90, 64.38 ppm; 5.91 A): 5 out of 13 assignments used, quality = 1.00: HG2 PRO 86 + HB2 SER 85 OK 100 100 100 100 4.5-6.1 ~9873=81, ~9891=66...(15) HG12 ILE 15 + HB3 SER 9 OK 71 71 100 100 3.1-5.1 ~8444=78, ~8442=56...(17) HD2 LYS 13 + HB2 SER 85 OK 60 98 75 82 6.0-11.0 9875/1.8=25...(17) HD3 LYS 13 + HB2 SER 85 OK 59 97 75 81 6.0-10.2 9875/1.8=25...(17) HD3 LYS 90 + HB2 SER 85 OK 38 99 65 59 6.2-8.7 4043/9846=35...(9) HD3 LYS 13 - HB3 SER 9 far 10 66 15 - 6.2-9.1 HD2 LYS 13 - HB3 SER 9 poor 10 68 35 42 6.4-9.9 ~8321=20, 10406/10408=12...(5) HD2 LYS 33 - HB3 SER 9 far 0 40 0 - 7.8-10.4 HB3 ARG 91 - HB2 SER 85 far 0 100 0 - 7.8-9.6 HD3 LYS 33 - HB3 SER 9 far 0 40 0 - 8.0-10.5 HD2 LYS 12 - HB3 SER 9 far 0 68 0 - 8.1-10.4 HD3 LYS 12 - HB3 SER 9 far 0 68 0 - 8.4-11.7 HG2 PRO 86 - HB3 SER 9 far 0 71 0 - 9.3-10.8 Violated in 0 structures by 0.00 A. Peak 9872 from cnoeabs.peaks (2.48, 4.19, 64.38 ppm; 4.86 A): 2 out of 3 assignments used, quality = 0.96: HB2 ASP 87 + HB3 SER 85 OK 87 98 95 94 3.6-6.5 4.0/9849=63, 4.6/9847=49...(9) HB3 ASP 87 + HB3 SER 85 OK 68 98 75 93 4.9-6.7 4.0/9849=63, 4.6/9847=49...(8) HD2 ARG 91 - HB3 SER 85 far 0 100 0 - 7.0-10.5 Violated in 11 structures by 0.20 A. Peak 9873 from cnoeabs.peaks (2.18, 4.19, 64.38 ppm; 4.93 A): 1 out of 1 assignment used, quality = 0.97: HG3 PRO 86 + HB3 SER 85 OK 97 98 100 100 3.5-4.2 9891/3.0=62...(19) Violated in 0 structures by 0.00 A. Peak 9874 from cnoeabs.peaks (2.10, 4.19, 64.38 ppm; 4.76 A): 5 out of 5 assignments used, quality = 1.00: HB3 PRO 86 + HB3 SER 85 OK 100 100 100 100 5.1-5.9 2.3/9873=70, 3.9/9849=62...(21) HB2 PRO 86 + HB3 SER 85 OK 96 96 100 100 5.2-5.7 2.3/9873=70, 3.9/9849=62...(21) HB3 GLU 88 + HB3 SER 85 OK 80 82 100 97 4.5-6.2 3.9/9847=55...(11) HB VAL 83 + HB3 SER 85 OK 74 99 85 87 5.2-6.5 9774/4.0=61, 9829/1.8=41...(5) HG2 GLU 88 + HB3 SER 85 OK 52 63 90 92 3.6-7.8 4.9/9847=44...(11) Violated in 0 structures by 0.00 A. Peak 9875 from cnoeabs.peaks (1.70, 4.19, 64.38 ppm; 5.29 A): 3 out of 6 assignments used, quality = 1.00: HG2 PRO 86 + HB3 SER 85 OK 99 99 100 100 4.4-4.6 1.8/9873=89, ~9891=54...(15) HD2 LYS 13 + HB3 SER 85 OK 64 100 85 75 5.4-10.0 10956/3.0=22, ~10956=15...(17) HD3 LYS 13 + HB3 SER 85 OK 63 100 85 74 5.2-9.6 10956/3.0=20, ~10956=16...(17) HD2 LYS 90 - HB3 SER 85 poor 12 59 20 - 5.7-9.9 HD3 LYS 90 - HB3 SER 85 far 10 100 10 - 5.7-9.4 HB3 ARG 91 - HB3 SER 85 far 0 94 0 - 7.3-10.7 Violated in 0 structures by 0.00 A. Peak 9876 from cnoeabs.peaks (0.68, 4.19, 64.38 ppm; 5.24 A): 1 out of 3 assignments used, quality = 1.00: QD1 LEU 14 + HB3 SER 85 OK 100 100 100 100 4.3-5.1 10413/4.0=72...(20) QD2 LEU 14 - HB3 SER 85 far 4 71 5 - 6.6-7.4 QG2 VAL 58 - HB3 SER 85 far 0 100 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 9877 from cnoeabs.peaks (1.53, 3.98, 50.67 ppm; 5.34 A): 4 out of 6 assignments used, quality = 1.00: HB2 LEU 14 + HD3 PRO 86 OK 100 100 100 100 3.1-3.4 12221/2.3=80...(40) HB2 LEU 14 + HD2 PRO 86 OK 100 100 100 100 4.4-4.7 12221/2.3=80, ~12018=57...(40) HG3 LYS 13 + HD3 PRO 86 OK 64 79 100 81 3.7-5.6 9895/3.6=14, 3.0/3802=14...(19) HG3 LYS 13 + HD2 PRO 86 OK 37 79 60 79 5.4-7.3 9895/3.6=14, 3.0/3794=12...(18) HG LEU 57 - HD3 PRO 86 far 0 85 0 - 9.7-10.8 HG LEU 57 - HD2 PRO 86 far 0 85 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9878 from cnoeabs.peaks (1.34, 3.98, 50.67 ppm; 5.41 A): 4 out of 4 assignments used, quality = 1.00: QB ALA 89 + HD3 PRO 86 OK 99 100 100 99 5.5-5.8 10971/3.6=90...(14) QB ALA 89 + HD2 PRO 86 OK 99 100 100 99 5.6-6.0 10971/3.6=90...(13) HG LEU 14 + HD3 PRO 86 OK 99 99 100 100 5.5-5.9 2.1/12018=91...(30) HG LEU 14 + HD2 PRO 86 OK 98 98 100 100 6.4-6.8 8407/3.6=84, ~12018=71...(30) Violated in 0 structures by 0.00 A. Peak 9879 from cnoeabs.peaks (0.66, 3.98, 50.67 ppm; 4.14 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 14 + HD3 PRO 86 OK 96 96 100 100 3.4-4.2 2.1/12018=59...(38) QD1 LEU 14 + HD2 PRO 86 OK 96 96 100 100 4.1-4.8 8411/3.6=59, 12017=48...(37) QD2 LEU 29 - HD3 PRO 86 far 0 92 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 9880 from cnoeabs.peaks (1.34, 4.09, 65.04 ppm; 3.37 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 89 + HA PRO 86 OK 99 100 100 99 2.5-2.9 10971=91, 7407/9854=39...(22) HG LEU 14 + HA PRO 86 OK 98 99 100 99 2.4-3.3 8407=67, 2.1/8411=63...(23) Violated in 0 structures by 0.00 A. Peak 9881 from cnoeabs.peaks (0.68, 4.09, 65.04 ppm; 3.67 A): 2 out of 7 assignments used, quality = 1.00: QD1 LEU 14 + HA PRO 86 OK 100 100 100 100 1.7-2.7 8411=100, 2.1/8407=64...(31) QD2 LEU 14 + HA PRO 86 OK 82 82 100 100 3.8-4.2 2.1/8411=73, 2.1/8407=64...(26) QD2 LEU 29 - HA PRO 86 far 0 59 0 - 6.7-8.7 QD1 LEU 29 - HA PRO 86 far 0 81 0 - 7.3-8.6 QG2 VAL 58 - HA PRO 86 far 0 100 0 - 9.3-10.0 QG1 VAL 58 - HA PRO 86 far 0 59 0 - 9.6-10.5 QD1 ILE 8 - HA PRO 86 far 0 81 0 - 10.0-11.8 Violated in 0 structures by 0.00 A. Peak 9882 from cnoeabs.peaks (1.32, 2.12, 31.71 ppm; 4.74 A): 6 out of 6 assignments used, quality = 1.00: QB ALA 89 + HB2 PRO 86 OK 93 94 100 99 4.3-4.7 10971/2.3=87, ~9923=48...(19) QB ALA 89 + HB3 PRO 86 OK 82 82 100 99 4.2-4.6 10971/2.3=87, ~9923=48...(19) HG LEU 14 + HB2 PRO 86 OK 79 79 100 100 3.8-4.4 ~8411=65, 8407/2.3=64...(38) HG LEU 14 + HB3 PRO 86 OK 67 67 100 100 4.6-5.4 ~8411=65, 8407/2.3=64...(38) HG2 LYS 90 + HB2 PRO 86 OK 55 70 85 93 4.2-7.9 9911/4.9=27...(24) HG2 LYS 90 + HB3 PRO 86 OK 48 58 90 91 2.8-6.4 9911/4.9=27...(25) Violated in 0 structures by 0.00 A. Peak 9883 from cnoeabs.peaks (0.67, 2.12, 31.71 ppm; 4.71 A): 4 out of 8 assignments used, quality = 1.00: QD1 LEU 14 + HB2 PRO 86 OK 99 99 100 100 3.2-4.3 8411/2.3=93, 9889/2.3=64...(46) QD1 LEU 14 + HB3 PRO 86 OK 90 90 100 100 4.0-5.0 8411/2.3=93, 9889/2.3=64...(44) QD2 LEU 14 + HB2 PRO 86 OK 57 57 100 100 4.6-5.1 ~8411=64, ~8407=60...(44) QD2 LEU 14 + HB3 PRO 86 OK 48 48 100 100 5.6-6.2 ~8411=64, ~8407=60...(42) QD2 LEU 29 - HB2 PRO 86 far 0 84 0 - 7.3-9.6 QD2 LEU 29 - HB3 PRO 86 far 0 72 0 - 7.6-9.7 QD1 LEU 29 - HB3 PRO 86 far 0 85 0 - 8.2-9.7 QD1 LEU 29 - HB2 PRO 86 far 0 96 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 9884 from cnoeabs.peaks (3.68, 3.98, 50.67 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 14 + HD3 PRO 86 OK 100 100 100 100 3.7-4.8 9887/2.3=72, 8422/3.6=67...(31) HA LEU 14 + HD2 PRO 86 OK 100 100 100 100 5.1-6.0 9887/2.3=72, 8422/3.6=67...(29) HA GLU 88 - HD2 PRO 86 far 0 93 0 - 7.2-7.5 HA GLU 88 - HD3 PRO 86 far 0 93 0 - 8.3-8.5 HA LYS 90 - HD2 PRO 86 far 0 99 0 - 9.3-9.8 HA LYS 90 - HD3 PRO 86 far 0 99 0 - 9.5-10.0 Violated in 0 structures by 0.00 A. Peak 9885 from cnoeabs.peaks (3.67, 4.09, 65.04 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.96: HA LEU 14 + HA PRO 86 OK 96 96 100 100 2.0-3.2 8422=92, 4.0/8411=57...(31) HA LYS 90 - HA PRO 86 far 0 100 0 - 6.1-6.7 HA GLU 88 - HA PRO 86 far 0 100 0 - 6.6-6.8 Violated in 0 structures by 0.00 A. Peak 9886 from cnoeabs.peaks (3.67, 2.12, 31.71 ppm; 4.19 A): 2 out of 6 assignments used, quality = 1.00: HA LEU 14 + HB2 PRO 86 OK 99 99 100 100 1.7-2.5 9885/2.3=70, 9887/2.3=57...(42) HA LEU 14 + HB3 PRO 86 OK 89 89 100 100 2.9-3.8 9885/2.3=70, 9887/2.3=57...(41) HA LYS 90 - HB3 PRO 86 far 0 92 0 - 6.2-6.8 HA LYS 90 - HB2 PRO 86 far 0 100 0 - 7.2-7.9 HA GLU 88 - HB3 PRO 86 far 0 87 0 - 7.6-7.7 HA GLU 88 - HB2 PRO 86 far 0 98 0 - 8.4-8.5 Violated in 0 structures by 0.00 A. Peak 9887 from cnoeabs.peaks (3.67, 1.69, 27.30 ppm; 4.77 A): 1 out of 6 assignments used, quality = 0.99: HA LEU 14 + HG2 PRO 86 OK 99 99 100 100 3.7-4.6 9890/1.8=70, 9885/3.8=64...(25) HB THR 80 - HG LEU 70 far 0 74 0 - 8.4-10.1 HA GLU 88 - HG2 PRO 86 far 0 98 0 - 8.9-9.1 HA LYS 90 - HG2 PRO 86 far 0 100 0 - 8.9-9.4 HA GLU 37 - HG LEU 70 far 0 42 0 - 9.0-10.0 HA LEU 42 - HG LEU 70 far 0 48 0 - 9.0-10.6 Violated in 0 structures by 0.00 A. Peak 9888 from cnoeabs.peaks (1.47, 2.19, 27.30 ppm; 5.03 A): 2 out of 8 assignments used, quality = 0.67: HG3 ARG 91 + HG3 PRO 86 OK 44 93 100 47 5.9-6.5 4061/7380=26...(4) HG13 ILE 76 + HB3 GLU 75 OK 42 57 100 75 5.4-6.4 1.8/9663=32, 7257/4.1=28...(6) HG3 LYS 13 - HG3 PRO 86 far 13 84 15 - 5.8-7.7 HB2 ARG 91 - HG3 PRO 86 far 0 96 0 - 7.7-8.8 HG2 LYS 20 - HG3 PRO 86 far 0 97 0 - 9.0-11.9 HG2 LYS 73 - HB3 GLU 75 far 0 79 0 - 9.1-9.8 HG13 ILE 52 - HB3 GLU 75 far 0 86 0 - 9.2-13.1 HG LEU 57 - HG3 PRO 86 far 0 77 0 - 9.8-10.8 Violated in 20 structures by 0.34 A. Peak 9889 from cnoeabs.peaks (0.67, 2.19, 27.30 ppm; 5.15 A): 1 out of 7 assignments used, quality = 0.99: QD1 LEU 14 + HG3 PRO 86 OK 99 99 100 100 4.6-5.5 8411/3.8=81...(31) QD2 LEU 14 - HG3 PRO 86 far 0 57 0 - 6.8-7.1 QD1 ILE 52 - HB3 GLU 75 far 0 72 0 - 7.5-10.5 QD1 LEU 42 - HB3 GLU 75 far 0 80 0 - 8.4-9.5 QG2 VAL 54 - HB3 GLU 75 far 0 86 0 - 8.8-9.9 QD2 LEU 29 - HG3 PRO 86 far 0 84 0 - 9.4-11.4 QD1 LEU 29 - HG3 PRO 86 far 0 96 0 - 10.0-11.4 Violated in 5 structures by 0.05 A. Peak 9890 from cnoeabs.peaks (3.67, 2.19, 27.30 ppm; 5.17 A): 1 out of 3 assignments used, quality = 0.99: HA LEU 14 + HG3 PRO 86 OK 99 99 100 100 4.6-5.4 9887/1.8=89, 9885/3.8=73...(25) HA GLU 88 - HG3 PRO 86 far 0 98 0 - 7.4-7.6 HA LYS 90 - HG3 PRO 86 far 0 100 0 - 8.0-8.5 Violated in 2 structures by 0.02 A. Peak 9891 from cnoeabs.peaks (5.12, 2.19, 27.30 ppm; 5.08 A): 1 out of 1 assignment used, quality = 0.95: HA SER 85 + HG3 PRO 86 OK 95 95 100 100 4.7-4.8 3.0/9873=68...(18) Violated in 0 structures by 0.00 A. Peak 9892 from cnoeabs.peaks (1.91, 3.98, 50.67 ppm; 5.00 A): 8 out of 10 assignments used, quality = 1.00: HB3 LEU 14 + HD3 PRO 86 OK 99 99 100 100 4.2-4.7 3.1/12018=71, ~12221=55...(40) HB3 LEU 14 + HD2 PRO 86 OK 99 99 100 100 5.7-6.3 ~12221=55, ~12018=51...(40) HB2 LYS 13 + HD3 PRO 86 OK 77 100 100 77 4.5-5.6 ~10957=25, 3.0/9877=13...(13) HB3 LYS 13 + HD3 PRO 86 OK 45 100 60 76 5.9-6.8 ~10957=25, 3.0/9877=13...(14) HG3 GLU 88 + HD2 PRO 86 OK 41 73 90 62 5.0-8.2 10302/4.8=28...(5) HB2 LYS 13 + HD2 PRO 86 OK 36 100 50 73 6.0-7.1 ~10957=25, 9894/3.6=12...(12) HG3 GLU 88 + HD3 PRO 86 OK 32 73 70 62 6.1-9.0 10302/4.8=28...(5) HB2 GLU 17 + HD3 PRO 86 OK 22 77 45 65 6.1-8.2 ~12333=21, 9894/3.6=15...(13) HB2 GLU 17 - HD2 PRO 86 far 0 77 0 - 6.6-8.6 HB3 LYS 13 - HD2 PRO 86 far 0 100 0 - 7.4-8.4 Violated in 0 structures by 0.00 A. Peak 9893 from cnoeabs.peaks (2.49, 3.98, 50.67 ppm; 5.74 A): 4 out of 6 assignments used, quality = 0.99: HB2 ASP 87 + HD2 PRO 86 OK 84 100 100 84 4.0-5.9 4.0/7382=44, 9872/4.9=36...(7) HB3 ASP 87 + HD2 PRO 86 OK 81 100 100 82 4.4-5.9 4.0/7382=44, 9872/4.9=28...(7) HB2 ASP 87 + HD3 PRO 86 OK 67 100 80 84 5.6-7.4 4.0/7382=44, 9872/4.9=36...(7) HB3 ASP 87 + HD3 PRO 86 OK 20 100 25 82 5.9-7.4 4.0/7382=44, 9872/4.9=28...(7) HD2 ARG 91 - HD2 PRO 86 far 0 100 0 - 7.4-9.4 HD2 ARG 91 - HD3 PRO 86 far 0 100 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 9894 from cnoeabs.peaks (1.93, 4.09, 65.04 ppm; 4.88 A): 4 out of 7 assignments used, quality = 1.00: HB2 GLU 17 + HA PRO 86 OK 88 98 100 90 3.5-6.1 735/8422=28, ~12333=24...(22) HB3 LEU 14 + HA PRO 86 OK 82 82 100 100 3.5-4.4 3.1/8411=87, 3.0/8407=84...(30) HG3 GLU 88 + HA PRO 86 OK 72 97 85 88 5.9-7.9 7405/9854=48...(7) HB2 LYS 13 + HA PRO 86 OK 72 98 85 87 5.6-6.9 ~10957=27, 4.6/9853=23...(15) HB3 LYS 13 - HA PRO 86 far 0 96 0 - 7.1-8.2 HB3 ARG 19 - HA PRO 86 far 0 100 0 - 8.8-11.7 HB2 ARG 19 - HA PRO 86 far 0 63 0 - 9.0-11.7 Violated in 0 structures by 0.00 A. Peak 9895 from cnoeabs.peaks (1.52, 4.09, 65.04 ppm; 5.52 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 14 + HA PRO 86 OK 100 100 100 100 1.9-3.0 3.1/8411=96, 3.0/8407=94...(33) HG3 LYS 13 + HA PRO 86 OK 37 90 50 83 5.7-7.4 3.0/3810=21, 3.0/3810=21...(13) HG LEU 57 + HA PRO 86 OK 21 94 45 49 6.4-7.6 9811/9823=20...(5) HB2 ARG 91 - HA PRO 86 far 0 71 0 - 7.5-9.0 HB ILE 7 - HA PRO 86 far 0 100 0 - 8.0-8.8 Violated in 0 structures by 0.00 A. Peak 9896 from cnoeabs.peaks (7.46, 4.22, 57.31 ppm; 4.58 A): 2 out of 4 assignments used, quality = 1.00: H ARG 91 + HA ASP 87 OK 99 99 100 100 2.8-3.3 9963=96, 7431/10962=70...(19) H ALA 89 + HA ASP 87 OK 65 65 100 99 3.7-4.0 4.5/10962=54, 9924=53...(14) HZ2 TRP 92 - HA ASP 87 far 0 77 0 - 8.7-9.5 HE3 TRP 92 - HA ASP 87 far 0 77 0 - 9.1-9.7 Violated in 0 structures by 0.00 A. Peak 9904 from cnoeabs.peaks (3.67, 4.22, 57.31 ppm; 4.83 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 90 + HA ASP 87 OK 100 100 100 100 5.3-5.6 3.0/10962=80...(18) HA GLU 88 + HA ASP 87 OK 99 100 100 100 4.8-4.8 3.6/9924=62, ~7386=46...(23) HA LEU 14 - HA ASP 87 far 14 96 15 - 6.1-7.3 Violated in 0 structures by 0.00 A. Peak 9905 from cnoeabs.peaks (3.69, 2.50, 40.10 ppm; 4.73 A): 4 out of 9 assignments used, quality = 1.00: HA GLU 37 + HB2 ASP 36 OK 86 87 100 99 4.0-5.6 8833=44, 3.0/1571=40...(20) HA GLU 37 + HB3 ASP 36 OK 85 86 100 99 4.2-5.6 8833=44, 3.0/1571=39...(21) HA GLU 88 + HB3 ASP 87 OK 74 75 100 99 3.9-5.5 3.0/3861=42, ~3861=29...(26) HA GLU 88 + HB2 ASP 87 OK 74 75 100 99 4.0-5.6 3.0/3861=42, ~3861=29...(26) HA LEU 14 - HB2 ASP 87 far 0 99 0 - 7.4-9.1 HA LYS 90 - HB3 ASP 87 far 0 91 0 - 7.4-8.1 HA LEU 14 - HB3 ASP 87 far 0 99 0 - 7.5-9.4 HA LYS 90 - HB2 ASP 87 far 0 91 0 - 7.6-8.2 HB THR 80 - HB2 ASP 61 far 0 69 0 - 8.6-10.5 Violated in 0 structures by 0.00 A. Peak 9906 from cnoeabs.peaks (2.92, 4.22, 57.31 ppm; 4.48 A): 2 out of 8 assignments used, quality = 0.99: HE3 LYS 90 + HA ASP 87 OK 98 98 100 100 2.2-5.4 1.8/9907=79, 3.8/9910=55...(16) HG2 MET 21 + HA ASP 87 OK 38 96 55 72 5.6-8.5 3920/9904=23...(9) HE2 LYS 94 - HA ASP 87 far 15 100 15 - 5.6-10.8 HE3 LYS 94 - HA ASP 87 far 0 98 0 - 6.0-10.6 HE2 LYS 13 - HA ASP 87 far 0 65 0 - 7.6-10.9 HE3 LYS 13 - HA ASP 87 far 0 70 0 - 7.8-12.1 HE3 LYS 20 - HA ASP 87 far 0 99 0 - 9.0-12.8 HE2 LYS 20 - HA ASP 87 far 0 98 0 - 9.3-13.8 Violated in 4 structures by 0.06 A. Peak 9907 from cnoeabs.peaks (2.81, 4.22, 57.31 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 90 + HA ASP 87 OK 100 100 100 100 2.9-5.0 10314=99, 1.8/9906=56...(16) Violated in 2 structures by 0.03 A. Peak 9908 from cnoeabs.peaks (1.81, 4.22, 57.31 ppm; 3.52 A): 2 out of 6 assignments used, quality = 1.00: HB2 LYS 90 + HA ASP 87 OK 98 100 100 98 3.1-4.5 2.8/9910=41, 2.8/9911=39...(16) HB3 LYS 90 + HA ASP 87 OK 81 92 90 98 4.3-5.2 2.8/9910=41, 2.8/9911=39...(14) HB2 GLU 88 - HA ASP 87 far 0 100 0 - 5.6-6.6 HB ILE 93 - HA ASP 87 far 0 99 0 - 7.3-7.9 HB2 GLU 104 - HA ASP 87 far 0 100 0 - 8.2-21.7 HB3 LEU 57 - HA ASP 87 far 0 99 0 - 9.6-10.4 Violated in 11 structures by 0.19 A. Peak 9909 from cnoeabs.peaks (1.71, 4.22, 57.31 ppm; 3.99 A): 3 out of 9 assignments used, quality = 1.00: HD3 LYS 90 + HA ASP 87 OK 95 96 100 100 1.9-3.5 2.9/9910=52, 3.0/9907=52...(19) HD2 LYS 90 + HA ASP 87 OK 82 82 100 100 1.8-3.7 2.9/9910=52, 3.0/9907=52...(17) HB3 ARG 91 + HA ASP 87 OK 67 77 100 87 3.9-5.4 3.9/9963=40, 10315=19...(18) HG2 PRO 86 - HA ASP 87 far 0 92 0 - 5.7-5.7 HD3 LYS 13 - HA ASP 87 far 0 99 0 - 7.5-12.4 HD2 LYS 13 - HA ASP 87 far 0 98 0 - 7.6-12.4 HD2 LYS 20 - HA ASP 87 far 0 68 0 - 7.7-11.6 HG3 LYS 20 - HA ASP 87 far 0 61 0 - 8.0-12.2 HD3 LYS 20 - HA ASP 87 far 0 61 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 9910 from cnoeabs.peaks (1.58, 4.22, 57.31 ppm; 4.43 A): 1 out of 3 assignments used, quality = 1.00: HG3 LYS 90 + HA ASP 87 OK 100 100 100 100 1.9-5.3 1.8/9911=74...(20) HD2 LYS 94 - HA ASP 87 far 0 59 0 - 6.0-11.6 HD3 LYS 94 - HA ASP 87 far 0 98 0 - 6.3-10.5 Violated in 10 structures by 0.25 A. Peak 9911 from cnoeabs.peaks (1.29, 4.22, 57.31 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: HG2 LYS 90 + HA ASP 87 OK 100 100 100 100 1.9-4.8 1.8/9910=82...(22) Violated in 7 structures by 0.04 A. Peak 9913 from cnoeabs.peaks (0.99, 1.81, 30.05 ppm; 4.00 A): 2 out of 9 assignments used, quality = 0.99: QG1 VAL 83 + HB2 GLU 88 OK 92 92 100 100 1.8-3.4 2.1/9822=73...(34) QG2 VAL 83 + HB2 GLU 88 OK 82 82 100 100 3.9-4.9 2.1/9822=73...(32) QG1 VAL 83 - HB2 GLU 104 far 0 78 0 - 6.0-15.1 QG2 THR 80 - HB2 GLU 104 far 0 87 0 - 7.2-15.5 HB3 LEU 55 - HB2 GLU 104 far 0 51 0 - 7.6-14.4 HG LEU 55 - HB2 GLU 104 far 0 70 0 - 8.0-15.4 QG2 VAL 83 - HB2 GLU 104 far 0 68 0 - 8.5-17.2 HG LEU 55 - HB2 GLU 88 far 0 84 0 - 8.5-11.5 QG2 THR 80 - HB2 GLU 88 far 0 99 0 - 9.4-12.8 Violated in 0 structures by 0.00 A. Peak 9914 from cnoeabs.peaks (0.98, 1.94, 36.78 ppm; 4.98 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 83 + HG3 GLU 88 OK 91 91 100 100 4.4-4.8 2.1/9814=77...(28) QG1 VAL 83 + HG3 GLU 88 OK 84 84 100 100 1.9-3.7 9814=69, 3.2/12336=61...(30) HG LEU 55 - HG3 GLU 88 far 0 92 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 9915 from cnoeabs.peaks (0.98, 2.14, 36.78 ppm; 5.15 A): 2 out of 3 assignments used, quality = 0.99: QG2 VAL 83 + HG2 GLU 88 OK 91 91 100 100 4.4-5.7 ~9814=69, 3.2/12337=66...(31) QG1 VAL 83 + HG2 GLU 88 OK 84 84 100 100 1.9-4.2 9814/1.8=73...(33) HG LEU 55 - HG2 GLU 88 far 0 92 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 9916 from cnoeabs.peaks (1.32, 2.08, 30.05 ppm; 5.01 A): 2 out of 7 assignments used, quality = 0.97: QB ALA 89 + HB3 GLU 88 OK 96 96 100 100 3.8-4.0 7407/4.3=79...(24) HG LEU 14 + HB3 GLU 88 OK 27 84 50 64 6.0-7.4 8404/4.3=31...(9) HG2 LYS 90 - HB3 GLU 88 far 10 63 15 - 6.1-8.5 HB3 LEU 2 - HB3 GLU 48 poor 7 30 25 - 5.8-9.9 HB2 LYS 82 - HB3 GLU 88 far 0 93 0 - 8.5-9.2 HB3 LEU 42 - HB3 GLU 48 far 0 25 0 - 9.4-12.3 HG LEU 3 - HB3 GLU 48 far 0 22 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 9917 from cnoeabs.peaks (1.00, 2.08, 30.05 ppm; 4.25 A): 2 out of 4 assignments used, quality = 0.99: QG1 VAL 83 + HB3 GLU 88 OK 97 97 100 100 1.9-2.2 ~9822=56, 9814/3.0=55...(46) QG2 VAL 83 + HB3 GLU 88 OK 71 71 100 100 3.0-3.5 ~9822=56, 3.2/12223=55...(44) HG LEU 55 - HB3 GLU 88 far 0 73 0 - 8.7-10.0 QG2 THR 80 - HB3 GLU 88 far 0 96 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 9918 from cnoeabs.peaks (0.98, 3.66, 58.73 ppm; 5.57 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 83 + HA GLU 88 OK 96 96 100 100 5.1-5.6 ~9822=68, ~12223=49...(33) QG1 VAL 83 + HA GLU 88 OK 73 73 100 100 3.3-3.6 ~9822=68, 9927/3.6=50...(32) QG2 VAL 83 + HA LEU 14 OK 50 50 100 100 6.0-6.7 10403/4.0=91...(8) QG1 VAL 83 - HA LEU 14 far 0 34 0 - 7.4-8.3 HG LEU 55 - HA GLU 88 far 0 97 0 - 9.0-10.3 QG2 VAL 5 - HA GLU 88 far 0 73 0 - 9.5-10.6 Violated in 0 structures by 0.00 A. Peak 9920 from cnoeabs.peaks (9.19, 1.81, 30.05 ppm; 5.05 A): 1 out of 2 assignments used, quality = 0.98: H THR 84 + HB2 GLU 88 OK 98 98 100 100 3.3-4.7 7366/10297=75...(13) H ILE 56 - HB2 GLU 104 far 0 90 0 - 8.2-16.0 Violated in 0 structures by 0.00 A. Peak 9921 from cnoeabs.peaks (9.19, 2.14, 36.78 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: H THR 84 + HG2 GLU 88 OK 100 100 100 100 4.2-5.3 9832/1.8=80...(11) Violated in 2 structures by 0.00 A. Peak 9922 from cnoeabs.peaks (6.86, 1.94, 36.78 ppm; 6.28 A): 1 out of 1 assignment used, quality = 0.99: HD1 TRP 92 + HG3 GLU 88 OK 99 99 100 100 5.2-7.2 2.6/9973=96...(11) Violated in 18 structures by 0.49 A. Peak 9928 from cnoeabs.peaks (1.00, 3.90, 55.61 ppm; 3.32 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 83 + HA ALA 89 OK 99 99 100 100 2.6-3.2 9824=93, 9810/2.1=64...(33) QG2 VAL 83 + HA ALA 89 OK 58 59 100 99 2.8-3.9 2.1/9824=63, ~9810=35...(29) HG LEU 55 - HA ALA 89 far 0 61 0 - 5.5-6.5 HB3 LEU 55 - HA ALA 89 far 0 85 0 - 7.1-8.7 QG2 THR 80 - HA ALA 89 far 0 90 0 - 8.6-10.2 Violated in 0 structures by 0.00 A. Peak 9929 from cnoeabs.peaks (0.80, 3.90, 55.61 ppm; 3.40 A): 3 out of 12 assignments used, quality = 0.99: QD2 LEU 57 + HA ALA 89 OK 90 100 100 90 3.6-3.9 2.1/10698=29...(23) QD1 LEU 57 + HA ALA 89 OK 75 79 100 95 1.8-3.9 9808/9824=26...(24) QD1 ILE 93 + HA ALA 89 OK 63 79 100 80 3.4-4.1 10321/2.1=45...(16) QD2 LEU 103 - HA ALA 89 far 0 81 0 - 6.3-16.9 QG2 ILE 7 - HA ALA 89 far 0 100 0 - 6.6-7.7 QD1 LEU 27 - HA ALA 89 far 0 77 0 - 8.0-9.0 QG2 ILE 15 - HA ALA 89 far 0 99 0 - 8.1-9.0 QD1 ILE 15 - HA ALA 89 far 0 59 0 - 8.2-9.2 QD1 LEU 6 - HA ALA 89 far 0 81 0 - 9.6-10.6 QG2 VAL 32 - HA ALA 89 far 0 71 0 - 9.6-10.6 QG2 ILE 8 - HA ALA 89 far 0 98 0 - 9.6-10.5 QG1 VAL 54 - HA ALA 89 far 0 63 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 9930 from cnoeabs.peaks (0.69, 3.90, 55.61 ppm; 4.35 A): 2 out of 10 assignments used, quality = 1.00: QD1 LEU 14 + HA ALA 89 OK 97 98 100 99 3.6-4.1 8402/3.0=59...(22) QD2 LEU 14 + HA ALA 89 OK 88 94 95 99 5.0-5.9 10403/9825=47, ~8402=39...(20) QG1 VAL 5 - HA ALA 89 poor 18 65 100 27 4.9-5.5 9986/3905=6, 10194/2.1=6...(8) QD1 LEU 29 - HA ALA 89 far 10 63 15 - 5.8-8.0 QG2 VAL 58 - HA ALA 89 far 0 96 0 - 7.5-8.2 QG1 VAL 58 - HA ALA 89 far 0 77 0 - 7.7-8.2 QD1 ILE 8 - HA ALA 89 far 0 93 0 - 7.8-10.3 QD1 ILE 56 - HA ALA 89 far 0 95 0 - 8.3-9.8 QD2 LEU 6 - HA ALA 89 far 0 100 0 - 9.3-10.3 HG13 ILE 56 - HA ALA 89 far 0 87 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 9931 from cnoeabs.peaks (0.95, 1.34, 17.35 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.99: QG2 VAL 83 + QB ALA 89 OK 99 99 100 100 1.9-2.9 2.1/9810=63, 9818=53...(30) QG2 VAL 5 - QB ALA 89 far 0 99 0 - 5.8-6.7 HB2 ARG 81 - QB ALA 89 far 0 90 0 - 5.9-7.9 HG LEU 55 - QB ALA 89 far 0 99 0 - 5.9-6.8 QG2 THR 80 - QB ALA 89 far 0 84 0 - 7.7-9.2 Violated in 0 structures by 0.00 A. Peak 9932 from cnoeabs.peaks (0.76, 1.34, 17.35 ppm; 3.01 A): 3 out of 15 assignments used, quality = 0.97: QD1 ILE 93 + QB ALA 89 OK 85 100 100 86 2.5-3.3 10321=61, 4162/9939=18...(17) HG13 ILE 93 + QB ALA 89 OK 55 93 80 74 4.0-5.4 2.1/10321=49...(15) QD2 LEU 57 + QB ALA 89 OK 51 71 100 71 3.4-4.4 ~10698=13, ~9926=11...(22) QG1 VAL 5 - QB ALA 89 poor 20 65 30 - 4.1-4.9 QG2 ILE 7 - QB ALA 89 far 0 65 0 - 4.5-5.2 QG2 ILE 93 - QB ALA 89 far 0 98 0 - 5.3-6.0 QD1 ILE 15 - QB ALA 89 far 0 100 0 - 5.4-6.2 HG13 ILE 15 - QB ALA 89 far 0 99 0 - 6.2-7.1 HG3 ARG 81 - QB ALA 89 far 0 88 0 - 7.1-9.0 QD1 LEU 27 - QB ALA 89 far 0 100 0 - 7.2-8.2 QG2 ILE 8 - QB ALA 89 far 0 87 0 - 7.6-8.2 QD1 LEU 6 - QB ALA 89 far 0 99 0 - 7.8-8.8 QD1 LEU 64 - QB ALA 89 far 0 91 0 - 7.9-8.9 QG1 VAL 54 - QB ALA 89 far 0 100 0 - 8.5-9.3 QD2 LEU 27 - QB ALA 89 far 0 71 0 - 9.2-10.3 Violated in 4 structures by 0.01 A. Peak 9933 from cnoeabs.peaks (2.08, 1.34, 17.35 ppm; 3.63 A): 4 out of 9 assignments used, quality = 1.00: HB3 GLU 88 + QB ALA 89 OK 99 100 100 99 3.8-4.0 4.3/7407=47...(24) HB3 PRO 86 + QB ALA 89 OK 85 91 100 94 4.2-4.6 2.3/10971=69, ~9923=27...(19) HB VAL 83 + QB ALA 89 OK 79 79 100 100 3.2-4.2 2.1/9931=76, 2.1/9810=74...(20) HB2 PRO 86 + QB ALA 89 OK 61 65 100 93 4.3-4.7 2.3/10971=69, ~9923=27...(19) HB2 MET 21 - QB ALA 89 far 4 71 5 - 5.1-6.6 QE MET 21 - QB ALA 89 far 0 96 0 - 5.8-6.8 HB2 GLU 16 - QB ALA 89 far 0 99 0 - 7.4-8.6 HG3 GLU 104 - QB ALA 89 far 0 97 0 - 7.7-18.3 HB2 LEU 64 - QB ALA 89 far 0 79 0 - 9.5-11.3 Violated in 0 structures by 0.00 A. Peak 9935 from cnoeabs.peaks (6.87, 3.90, 55.61 ppm; 4.29 A): 1 out of 1 assignment used, quality = 0.95: HD1 TRP 92 + HA ALA 89 OK 95 100 95 100 5.3-5.9 9796/9824=71...(19) Violated in 20 structures by 1.22 A. Peak 9936 from cnoeabs.peaks (6.88, 1.34, 17.35 ppm; 5.62 A): 1 out of 2 assignments used, quality = 0.99: HD1 TRP 92 + QB ALA 89 OK 99 99 100 100 6.1-6.6 9935/2.1=97...(11) HD21 ASN 60 - QB ALA 89 far 0 100 0 - 9.2-11.1 Violated in 20 structures by 0.65 A. Peak 9937 from cnoeabs.peaks (7.55, 1.34, 17.35 ppm; 4.71 A): 2 out of 3 assignments used, quality = 0.99: H GLU 88 + QB ALA 89 OK 94 94 100 100 4.3-4.5 7400/7407=87...(20) H LEU 14 + QB ALA 89 OK 88 100 95 92 5.5-6.5 602/606=33, 594/598=30...(13) H LYS 24 - QB ALA 89 far 0 92 0 - 9.6-10.4 Violated in 0 structures by 0.00 A. Peak 9938 from cnoeabs.peaks (7.70, 1.34, 17.35 ppm; 5.11 A): 2 out of 4 assignments used, quality = 0.97: H SER 85 + QB ALA 89 OK 95 96 100 100 4.4-5.4 10303/7407=79...(12) H MET 21 + QB ALA 89 OK 32 92 45 78 6.2-7.0 8562/10321=33...(8) H ASN 60 - QB ALA 89 far 0 84 0 - 8.4-9.1 H ALA 25 - QB ALA 89 far 0 100 0 - 10.0-10.7 Violated in 3 structures by 0.01 A. Peak 9939 from cnoeabs.peaks (8.37, 1.34, 17.35 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.99: H ILE 93 + QB ALA 89 OK 99 100 100 99 4.6-5.2 4162/10321=71...(12) H GLU 95 - QB ALA 89 far 0 100 0 - 8.1-9.0 Violated in 13 structures by 0.08 A. Peak 9940 from cnoeabs.peaks (8.66, 1.34, 17.35 ppm; 5.03 A): 1 out of 4 assignments used, quality = 0.98: H ALA 18 + QB ALA 89 OK 98 100 100 98 3.5-4.3 8334=51, ~10976=41...(20) H ASP 11 - QB ALA 89 far 0 96 0 - 7.3-8.3 H ASN 10 - QB ALA 89 far 0 96 0 - 8.3-9.3 H LEU 55 - QB ALA 89 far 0 91 0 - 8.5-9.6 Violated in 0 structures by 0.00 A. Peak 9947 from cnoeabs.peaks (0.76, 3.67, 60.35 ppm; 3.59 A): 3 out of 11 assignments used, quality = 1.00: QD1 ILE 93 + HA LYS 90 OK 98 99 100 99 1.8-2.0 10025=65, 3.2/4129=43...(25) QG2 ILE 93 + HA LYS 90 OK 98 99 100 99 3.5-4.3 2.1/4129=54...(25) HG13 ILE 93 + HA LYS 90 OK 93 96 100 97 3.4-4.6 2.1/10025=54...(21) QG1 VAL 5 - HA LYS 90 poor 14 71 20 - 4.8-5.9 QD2 LEU 57 - HA LYS 90 far 0 65 0 - 5.4-6.6 QD1 LEU 27 - HA LYS 90 far 0 99 0 - 6.0-7.5 QG2 ILE 7 - HA LYS 90 far 0 59 0 - 7.9-8.8 QD2 LEU 27 - HA LYS 90 far 0 77 0 - 8.4-10.0 QD1 ILE 15 - HA LYS 90 far 0 100 0 - 9.3-10.4 HG3 ARG 81 - HA LYS 90 far 0 92 0 - 9.8-12.2 QD1 LEU 6 - HA LYS 90 far 0 99 0 - 9.9-12.0 Violated in 0 structures by 0.00 A. Peak 9948 from cnoeabs.peaks (2.05, 3.67, 60.35 ppm; 3.94 A): 2 out of 6 assignments used, quality = 1.00: HB2 MET 21 + HA LYS 90 OK 99 100 100 99 2.8-3.5 3.0/3920=60, 8549=58...(25) HG12 ILE 93 + HA LYS 90 OK 95 98 100 97 3.8-4.8 2.1/10025=65...(14) HB3 LYS 94 - HA LYS 90 far 4 81 5 - 5.2-8.1 HB3 GLU 88 - HA LYS 90 far 0 82 0 - 7.8-8.0 HB2 GLU 16 - HA LYS 90 far 0 85 0 - 8.9-10.7 HB2 GLU 23 - HA LYS 90 far 0 65 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 9949 from cnoeabs.peaks (2.40, 3.67, 60.35 ppm; 4.46 A): 2 out of 3 assignments used, quality = 1.00: HG3 MET 21 + HA LYS 90 OK 100 100 100 100 1.8-4.5 1.8/3920=91, 3.4/8543=65...(30) HB3 MET 21 + HA LYS 90 OK 100 100 100 100 2.6-3.5 3.0/3920=73, 1.8/8549=72...(29) HG3 GLU 17 - HA LYS 90 far 0 85 0 - 6.7-9.0 Violated in 0 structures by 0.00 A. Peak 9952 from cnoeabs.peaks (4.21, 1.29, 25.29 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 87 + HG2 LYS 90 OK 99 99 100 100 1.9-4.8 9911=99, 9910/1.8=96...(22) HB3 SER 85 - HG2 LYS 90 far 4 85 5 - 6.6-10.4 Violated in 0 structures by 0.00 A. Peak 9953 from cnoeabs.peaks (4.22, 1.83, 32.09 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: HA ASP 87 + HB3 LYS 90 OK 100 100 100 100 4.3-5.2 9910/2.8=60, 9911/2.8=58...(14) HA ASP 87 + HB2 LYS 90 OK 78 78 100 100 3.1-4.5 9910/2.8=60, 9911/2.8=58...(16) HB3 SER 85 - HB2 LYS 90 far 0 52 0 - 8.1-10.2 HB3 SER 85 - HB3 LYS 90 far 0 75 0 - 9.1-10.9 Violated in 0 structures by 0.00 A. Peak 9954 from cnoeabs.peaks (4.18, 1.58, 25.29 ppm; 4.93 A): 4 out of 8 assignments used, quality = 0.96: HA LYS 73 + HG3 LYS 73 OK 63 63 100 100 2.3-3.5 4.1=100 HA ASP 87 + HG3 LYS 90 OK 61 61 100 100 1.9-5.3 9951/7420=58, 9910=51...(20) HA LYS 13 + HG3 LYS 12 OK 47 48 100 97 3.0-6.4 2.9/6168=64, ~6167=30...(13) HA GLN 72 + HG3 LYS 73 OK 42 44 95 99 5.4-6.5 3.6/7208=78...(16) HB3 SER 85 - HG3 LYS 90 far 5 100 5 - 6.4-10.7 HA GLU 23 - HG2 LYS 24 far 0 40 0 - 7.0-7.7 HA LYS 13 - HG3 LYS 90 far 0 75 0 - 8.1-11.6 HA GLU 98 - HG2 LYS 24 far 0 79 0 - 9.1-13.1 Violated in 0 structures by 0.00 A. Peak 9956 from cnoeabs.peaks (3.65, 3.89, 59.16 ppm; 4.49 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 90 + HA ARG 91 OK 96 96 100 99 4.7-4.8 10978/3.6=42...(25) HA GLU 88 + HA ARG 91 OK 94 100 95 99 5.7-6.0 4024/3.0=69, 7428/3.0=40...(16) HA LEU 14 - HA ARG 91 far 0 81 0 - 9.8-11.1 Violated in 20 structures by 0.06 A. Peak 9958 from cnoeabs.peaks (3.66, 1.09, 26.75 ppm; 6.03 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 88 + HG2 ARG 91 OK 96 96 100 100 4.4-5.8 4024/2.8=97, 9960/2.9=80...(17) HA LYS 90 + HG2 ARG 91 OK 94 94 100 100 5.8-7.1 3.6/7444=87...(14) HA LEU 14 - HG2 ARG 91 far 0 82 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9959 from cnoeabs.peaks (3.67, 1.08, 26.80 ppm; 5.67 A): 3 out of 4 assignments used, quality = 1.00: HA GLU 88 + HG2 ARG 91 OK 100 100 100 100 4.4-5.8 4024/2.8=93, 9960/2.9=68...(17) HA LYS 90 + HG2 ARG 91 OK 99 100 100 100 5.8-7.1 3.6/7444=83...(14) HA LEU 42 + HG12 ILE 76 OK 53 53 100 100 5.5-6.5 4.0/9667=74, ~10286=69...(23) HA LEU 14 - HG2 ARG 91 far 0 95 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 9960 from cnoeabs.peaks (3.65, 2.66, 43.24 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.98: HA GLU 88 + HD3 ARG 91 OK 98 99 100 100 4.1-6.6 4024/3.5=78, 9961/1.8=63...(15) HA LYS 90 - HD3 ARG 91 far 9 91 10 - 6.8-8.1 HA LEU 14 - HD3 ARG 91 far 0 70 0 - 9.9-11.8 Violated in 10 structures by 0.46 A. Peak 9961 from cnoeabs.peaks (3.65, 2.49, 43.24 ppm; 5.26 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 88 + HD2 ARG 91 OK 99 99 100 100 4.1-6.6 9960/1.8=80, 4024/3.5=78...(19) HA LYS 90 + HD2 ARG 91 OK 32 94 35 97 5.3-8.0 3.6/4062=66, 9956/4.8=30...(15) HA LEU 14 - HD2 ARG 91 far 0 75 0 - 9.2-11.1 Violated in 2 structures by 0.00 A. Peak 9962 from cnoeabs.peaks (2.12, 2.49, 43.24 ppm; 5.60 A): 2 out of 8 assignments used, quality = 0.49: HG2 GLU 88 + HD2 ARG 91 OK 32 85 60 62 4.7-8.3 4.2/9961=48, ~2439=10...(6) QE MET 21 + HD2 ARG 91 OK 26 94 35 78 4.1-8.8 8539/4062=51...(11) HB3 GLU 88 - HD2 ARG 91 poor 15 59 25 - 6.6-8.8 HB3 PRO 86 - HD2 ARG 91 far 15 98 15 - 7.0-8.8 HG3 GLU 104 - HD2 ARG 91 far 9 93 10 - 5.5-20.6 HG2 GLU 104 - HD2 ARG 91 far 8 75 10 - 6.7-20.3 HB VAL 83 - HD2 ARG 91 far 0 100 0 - 8.4-10.4 HB2 PRO 86 - HD2 ARG 91 far 0 100 0 - 8.6-10.3 Violated in 3 structures by 0.08 A. Peak 9964 from cnoeabs.peaks (7.00, 2.49, 43.24 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 91 + HD2 ARG 91 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 9965 from cnoeabs.peaks (7.00, 2.66, 43.24 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HE ARG 91 + HD3 ARG 91 OK 100 100 100 100 2.3-2.9 2.9=100 Violated in 0 structures by 0.00 A. Peak 9968 from cnoeabs.peaks (8.13, 6.87, 127.01 ppm; 5.54 A): 1 out of 3 assignments used, quality = 1.00: H TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.4-2.9 7466=99, 7464/3.9=89...(15) H HIS 106 - HD1 TRP 92 far 9 85 10 - 6.3-18.5 H ASP 87 - HD1 TRP 92 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 9976 from cnoeabs.peaks (2.15, 7.07, 122.39 ppm; 6.45 A): 2 out of 5 assignments used, quality = 0.98: HG2 GLU 88 + HZ3 TRP 92 OK 95 95 100 100 4.3-7.9 14641/2.5=78...(9) HB VAL 83 + HZ3 TRP 92 OK 61 61 100 100 5.1-5.9 2.1/9781=99, 2.1/9795=89...(16) HG2 GLU 104 - HZ3 TRP 92 far 14 96 15 - 6.2-14.4 HB2 LEU 64 - HZ3 TRP 92 lone 3 61 35 13 7.5-8.9 10760/9781=9, 10760/10002=1 HB3 GLU 95 - HZ3 TRP 92 far 0 93 0 - 9.1-11.5 Violated in 0 structures by 0.00 A. Peak 9977 from cnoeabs.peaks (4.81, 7.24, 124.39 ppm; 5.73 A): 1 out of 3 assignments used, quality = 0.92: HA VAL 83 + HH2 TRP 92 OK 92 92 100 100 3.3-4.8 14659/2.4=83, ~9781=55...(12) HA TRP 92 - HH2 TRP 92 far 0 92 0 - 7.7-7.8 HA ASN 60 - HH2 TRP 92 far 0 95 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 9978 from cnoeabs.peaks (4.80, 7.07, 122.39 ppm; 5.41 A): 1 out of 3 assignments used, quality = 0.95: HA VAL 83 + HZ3 TRP 92 OK 95 96 100 100 3.9-5.2 3.2/9781=75, 3.0/9776=73...(14) HA TRP 92 - HZ3 TRP 92 far 0 87 0 - 7.0-7.2 HA ASN 60 - HZ3 TRP 92 far 0 93 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 9979 from cnoeabs.peaks (3.88, 6.87, 127.01 ppm; 6.18 A): 2 out of 5 assignments used, quality = 1.00: HA ARG 91 + HD1 TRP 92 OK 98 99 100 99 4.2-4.9 3.6/7466=94...(10) HA ALA 89 + HD1 TRP 92 OK 88 88 100 100 5.3-5.9 2.1/9936=89, 3.0/9934=86...(19) HB2 SER 85 - HD1 TRP 92 far 0 85 0 - 8.1-9.1 HA LYS 94 - HD1 TRP 92 far 0 98 0 - 8.2-8.6 HB2 SER 102 - HD1 TRP 92 far 0 96 0 - 8.9-19.6 Violated in 0 structures by 0.00 A. Peak 9980 from cnoeabs.peaks (3.18, 7.43, 120.39 ppm; 5.78 A): 1 out of 2 assignments used, quality = 0.95: HB3 TRP 92 + HE3 TRP 92 OK 95 95 100 100 2.7-3.2 4.2=100 HB2 HIS 106 - HE3 TRP 92 far 10 100 10 - 6.9-19.0 Violated in 0 structures by 0.00 A. Peak 9981 from cnoeabs.peaks (3.08, 7.43, 120.39 ppm; 5.92 A): 1 out of 6 assignments used, quality = 0.93: HB2 TRP 92 + HE3 TRP 92 OK 93 93 100 100 2.7-3.2 4.2=100 HB3 HIS 106 - HE3 TRP 92 far 8 81 10 - 6.1-18.8 HD2 ARG 79 - HE3 TRP 92 poor 7 99 30 25 6.2-10.3 9696/9276=17...(4) HD3 ARG 79 - HE3 TRP 92 poor 6 99 25 26 5.0-9.9 9696/9276=17...(3) HB3 HIS 105 - HE3 TRP 92 far 5 95 5 - 5.5-17.2 HB2 PHE 96 - HE3 TRP 92 far 0 95 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 9982 from cnoeabs.peaks (2.17, 7.43, 120.39 ppm; 5.96 A): 1 out of 4 assignments used, quality = 0.57: HG2 GLU 88 + HE3 TRP 92 OK 57 77 80 92 4.2-7.7 3.0/3878=43, 3.0/3885=39...(9) HB2 GLU 95 - HE3 TRP 92 poor 19 71 55 47 6.4-9.6 4284/4.8=45, 4285/7480=2 HB3 GLU 95 - HE3 TRP 92 far 15 98 15 - 7.4-9.6 HG2 GLU 104 - HE3 TRP 92 far 13 87 15 - 5.6-14.1 Violated in 18 structures by 1.30 A. Peak 9984 from cnoeabs.peaks (0.97, 3.10, 29.79 ppm; 5.80 A): 4 out of 10 assignments used, quality = 1.00: HG LEU 55 + HB2 TRP 92 OK 99 99 100 100 4.6-6.0 2.1/9987=95, ~9264=83...(18) QG2 VAL 83 + HB2 TRP 92 OK 99 99 100 100 4.8-6.7 2.1/10946=78...(16) QG2 VAL 5 + HB2 TRP 92 OK 75 82 100 91 5.8-7.2 2549/9987=38, 8177=32...(15) QG1 VAL 83 + HB2 TRP 92 OK 63 63 100 100 3.6-4.9 9995/3.9=75, 10946=51...(13) QG2 THR 80 - HB2 HIS 105 far 6 59 10 - 5.9-17.3 QG1 VAL 83 - HB2 HIS 105 far 2 31 5 - 6.1-16.5 QG2 VAL 83 - HB2 HIS 105 far 0 58 0 - 8.6-18.5 QG2 THR 80 - HB2 TRP 92 far 0 100 0 - 8.7-10.1 HG LEU 55 - HB2 HIS 105 far 0 59 0 - 9.2-18.7 QG2 VAL 5 - HB2 HIS 105 far 0 43 0 - 9.4-18.4 Violated in 0 structures by 0.00 A. Peak 9985 from cnoeabs.peaks (0.80, 3.10, 29.79 ppm; 4.28 A): 3 out of 10 assignments used, quality = 1.00: QD2 LEU 57 + HB2 TRP 92 OK 99 100 100 99 3.2-4.8 2.1/9357=76, ~9358=52...(23) QD1 LEU 57 + HB2 TRP 92 OK 80 81 100 100 2.0-3.2 9357=72, 9358/1.8=58...(19) QD1 ILE 93 + HB2 TRP 92 OK 64 77 95 88 4.5-6.0 4162/4.5=32...(13) QD2 LEU 103 - HB2 TRP 92 poor 16 82 20 - 4.0-13.1 QD2 LEU 103 - HB2 HIS 105 poor 11 43 25 - 2.2-10.0 QD1 LEU 57 - HB2 HIS 105 far 0 42 0 - 7.1-15.7 QD1 LEU 27 - HB2 TRP 92 far 0 75 0 - 7.3-8.3 QD2 LEU 57 - HB2 HIS 105 far 0 60 0 - 8.7-17.5 QG2 ILE 7 - HB2 TRP 92 far 0 100 0 - 9.0-10.9 QG1 VAL 54 - HB2 TRP 92 far 0 61 0 - 9.1-10.5 Violated in 0 structures by 0.00 A. Peak 9986 from cnoeabs.peaks (0.71, 3.10, 29.79 ppm; 6.50 A): 5 out of 20 assignments used, quality = 1.00: QG1 VAL 5 + HB2 TRP 92 OK 93 95 100 98 5.0-6.3 8195/9987=85...(14) HG3 ARG 81 + HB2 TRP 92 OK 75 77 100 98 3.5-5.7 ~12215=71, 1.8/9988=51...(9) HG13 ILE 93 + HB2 TRP 92 OK 68 70 100 99 3.5-5.9 10019/9987=47, 12245=45...(15) QD1 LEU 14 + HB2 TRP 92 OK 55 73 100 75 6.2-7.9 9807/10946=47...(4) QD2 LEU 14 + HB2 TRP 92 OK 42 100 70 59 7.5-9.5 9930/3905=32...(3) HG3 ARG 81 - HB2 HIS 105 poor 10 40 25 - 5.9-14.8 QD1 LEU 64 - HB2 HIS 105 poor 9 37 25 - 4.1-16.3 QG2 VAL 78 - HB2 HIS 105 far 6 57 10 - 6.9-17.1 QG2 VAL 58 - HB2 HIS 105 far 0 35 0 - 8.0-19.0 QD1 LEU 64 - HB2 TRP 92 far 0 73 0 - 8.2-9.3 QD1 ILE 56 - HB2 TRP 92 far 0 100 0 - 8.4-9.7 QG2 VAL 58 - HB2 TRP 92 far 0 70 0 - 8.4-9.4 QG1 VAL 58 - HB2 TRP 92 far 0 99 0 - 8.7-9.5 QD1 ILE 56 - HB2 HIS 105 far 0 61 0 - 8.7-18.0 QG1 VAL 58 - HB2 HIS 105 far 0 57 0 - 8.8-19.1 QD1 ILE 8 - HB2 TRP 92 far 0 100 0 - 9.1-11.5 QD2 LEU 27 - HB2 TRP 92 far 0 92 0 - 9.3-10.6 QG1 VAL 78 - HB2 HIS 105 far 0 33 0 - 9.4-18.8 QG2 VAL 78 - HB2 TRP 92 far 0 98 0 - 9.7-11.5 QD2 LEU 6 - HB2 TRP 92 far 0 88 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 9987 from cnoeabs.peaks (0.49, 3.10, 29.79 ppm; 4.75 A): 1 out of 3 assignments used, quality = 0.96: QD2 LEU 55 + HB2 TRP 92 OK 96 96 100 100 2.5-3.8 9264/1.8=83...(24) QD2 LEU 55 - HB2 HIS 105 far 0 54 0 - 7.4-16.1 QD1 LEU 3 - HB2 HIS 105 far 0 41 0 - 9.8-18.8 Violated in 0 structures by 0.00 A. Peak 9988 from cnoeabs.peaks (0.40, 3.10, 29.79 ppm; 5.37 A): 2 out of 4 assignments used, quality = 0.91: HG2 ARG 81 + HB2 TRP 92 OK 73 82 100 89 3.9-6.5 12215/1.8=41...(11) QD1 LEU 55 + HB2 TRP 92 OK 67 68 100 100 2.5-4.6 2.1/9987=89, ~9264=75...(21) HG2 ARG 81 - HB2 HIS 105 poor 9 43 20 - 4.8-15.3 QD1 LEU 55 - HB2 HIS 105 far 2 34 5 - 5.6-13.8 Violated in 0 structures by 0.00 A. Peak 9990 from cnoeabs.peaks (0.96, 3.19, 29.79 ppm; 5.46 A): 4 out of 8 assignments used, quality = 1.00: HG LEU 55 + HB3 TRP 92 OK 99 99 100 100 4.9-5.8 2.1/9255=94, 2.1/9992=93...(16) QG2 VAL 83 + HB3 TRP 92 OK 99 99 100 100 5.1-6.2 2.1/10945=67, ~10946=56...(14) HB2 ARG 81 + HB3 TRP 92 OK 84 88 100 95 4.4-6.7 2.9/12215=54...(13) QG2 VAL 5 + HB3 TRP 92 OK 80 99 90 90 5.9-7.4 8197/9255=55...(9) QG2 THR 80 - HB2 HIS 106 far 3 66 5 - 6.7-18.7 HB2 ARG 81 - HB2 HIS 106 far 0 69 0 - 7.2-19.0 QG2 VAL 83 - HB2 HIS 106 far 0 82 0 - 7.4-20.2 QG2 THR 80 - HB3 TRP 92 far 0 85 0 - 8.5-10.2 Violated in 0 structures by 0.00 A. Peak 9991 from cnoeabs.peaks (0.81, 3.19, 29.79 ppm; 4.27 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 57 + HB3 TRP 92 OK 98 99 100 99 3.3-4.3 2.1/9358=74, ~9357=53...(20) QD1 LEU 57 + HB3 TRP 92 OK 89 90 100 100 2.5-3.3 9358=86, 9357/1.8=68...(21) QD1 ILE 93 + HB3 TRP 92 OK 24 65 45 82 4.4-6.1 4162/4.5=25...(12) QD2 LEU 103 - HB2 HIS 106 far 7 71 10 - 4.8-12.0 QD2 LEU 103 - HB3 TRP 92 lone 4 91 45 9 2.6-14.4 9747/12215=3...(3) QD1 LEU 57 - HB2 HIS 106 far 0 70 0 - 7.0-17.1 QD1 LEU 27 - HB3 TRP 92 far 0 63 0 - 7.3-8.3 QG2 ILE 7 - HB3 TRP 92 far 0 100 0 - 8.7-10.5 QD2 LEU 57 - HB2 HIS 106 far 0 81 0 - 9.2-17.6 Violated in 0 structures by 0.00 A. Peak 9992 from cnoeabs.peaks (0.50, 3.19, 29.79 ppm; 4.57 A): 1 out of 2 assignments used, quality = 1.00: QD2 LEU 55 + HB3 TRP 92 OK 100 100 100 100 2.7-3.8 9264=93, 2.1/9255=77...(19) QD2 LEU 55 - HB2 HIS 106 far 0 84 0 - 8.7-17.0 Violated in 0 structures by 0.00 A. Peak 9993 from cnoeabs.peaks (0.43, 3.19, 29.79 ppm; 4.72 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 55 + HB3 TRP 92 OK 99 99 100 100 3.2-4.2 9255=99, 2.1/9992=79...(20) HG2 ARG 81 + HB3 TRP 92 OK 68 100 75 91 4.9-7.6 12215=40, 10000/5.3=35...(12) HG2 ARG 81 - HB2 HIS 106 far 0 84 0 - 6.5-17.9 QD1 LEU 55 - HB2 HIS 106 far 0 82 0 - 6.9-14.6 QD1 LEU 3 - HB3 TRP 92 far 0 68 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 9994 from cnoeabs.peaks (2.10, 6.87, 127.01 ppm; 6.29 A): 4 out of 6 assignments used, quality = 1.00: HB VAL 83 + HD1 TRP 92 OK 94 99 95 100 6.9-7.8 2.1/9995=100, ~9998=89...(14) HB3 GLU 88 + HD1 TRP 92 OK 85 85 100 100 5.5-6.2 1.8/12224=94, 12225=86...(18) HG2 GLU 88 + HD1 TRP 92 OK 59 59 100 100 3.8-6.0 1.8/9922=83...(13) QE MET 21 + HD1 TRP 92 OK 58 100 95 61 6.8-7.8 8539/10981=51...(6) HG3 GLU 104 - HD1 TRP 92 lone 1 100 35 3 2.0-16.3 HB3 PRO 86 - HD1 TRP 92 far 0 100 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 9995 from cnoeabs.peaks (0.99, 6.87, 127.01 ppm; 4.01 A): 1 out of 4 assignments used, quality = 0.93: QG1 VAL 83 + HD1 TRP 92 OK 93 93 100 100 4.7-5.4 9796=90, 9998/2.6=63...(19) QG2 VAL 83 - HD1 TRP 92 far 0 81 0 - 6.6-7.6 HG LEU 55 - HD1 TRP 92 far 0 82 0 - 8.2-9.3 HB3 LEU 55 - HD1 TRP 92 far 0 65 0 - 9.1-10.5 Violated in 20 structures by 0.85 A. Peak 9996 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.82 A): 1 out of 3 assignments used, quality = 0.98: QD1 LEU 57 + HD1 TRP 92 OK 98 98 100 100 4.7-5.7 9342=92, 9999/2.6=70...(19) QD2 LEU 103 - HD1 TRP 92 far 15 98 15 - 5.1-14.3 QD2 LEU 57 - HD1 TRP 92 far 9 93 10 - 6.2-7.3 Violated in 17 structures by 0.30 A. Peak 9997 from cnoeabs.peaks (0.81, 7.43, 120.39 ppm; 5.22 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 57 + HE3 TRP 92 OK 96 96 100 100 1.8-2.3 9357/4.2=65, 9358/4.2=65...(20) QD2 LEU 57 + HE3 TRP 92 OK 93 96 100 98 3.1-4.7 9343=46, 2.1/9341=42...(14) QD2 LEU 103 - HE3 TRP 92 lone 6 96 50 13 3.2-14.7 9272/9276=3...(6) QG2 ILE 7 - HE3 TRP 92 far 0 98 0 - 8.7-10.1 QG2 ILE 8 - HE3 TRP 92 far 0 85 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10002 from cnoeabs.peaks (0.98, 7.07, 122.39 ppm; 6.50 A): 3 out of 5 assignments used, quality = 0.99: QG2 VAL 83 + HZ3 TRP 92 OK 89 89 100 100 4.2-4.7 2.1/9776=98, 9781=94...(23) HG LEU 55 + HZ3 TRP 92 OK 83 90 100 93 5.9-7.4 ~9276=75, ~14644=31...(8) QG1 VAL 83 + HZ3 TRP 92 OK 68 68 100 100 2.2-2.9 2.1/9781=99, 2.1/9776=98...(23) QG2 THR 80 - HZ3 TRP 92 lone 14 96 100 15 6.2-7.6 14642/2.5=6, 10917/9275=6 QG2 VAL 5 - HZ3 TRP 92 far 0 64 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 10003 from cnoeabs.peaks (1.70, 7.49, 114.58 ppm; 6.27 A): 2 out of 3 assignments used, quality = 0.90: HD2 ARG 81 + HZ2 TRP 92 OK 86 87 100 99 5.3-7.4 10925=86, ~10000=57...(7) HB3 ARG 91 + HZ2 TRP 92 OK 24 86 70 41 6.5-8.2 7458/8.7=33, 3871/3869=10 HD2 LYS 90 - HZ2 TRP 92 far 0 64 0 - 9.6-12.3 Violated in 5 structures by 0.06 A. Peak 10004 from cnoeabs.peaks (7.01, 3.54, 66.22 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.94: QD PHE 96 + HA ILE 93 OK 94 94 100 100 3.2-4.8 2.4/4128=85, 2.4/4325=84...(18) HE ARG 91 - HA ILE 93 far 0 95 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 10007 from cnoeabs.peaks (1.32, 3.54, 66.22 ppm; 6.09 A): 4 out of 7 assignments used, quality = 1.00: QB ALA 89 + HA ILE 93 OK 97 97 100 100 5.8-6.5 10321/4163=92...(10) QB ALA 25 + HA ILE 93 OK 95 97 100 98 5.2-6.2 10063/7565=52...(14) HG2 LYS 94 + HA ILE 93 OK 92 97 95 100 6.4-7.6 4208/3.6=81...(22) HB3 LEU 27 + HA ILE 93 OK 78 93 85 99 6.6-7.8 8634/8176=66...(16) HG2 LYS 90 - HA ILE 93 poor 18 61 30 - 7.1-9.2 HG LEU 3 - HA ILE 93 far 0 84 0 - 9.4-10.2 HG LEU 14 - HA ILE 93 far 0 85 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 10008 from cnoeabs.peaks (0.92, 3.54, 66.22 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.82: QG2 VAL 5 + HA ILE 93 OK 82 82 100 100 2.7-3.9 8176=76, 10322/3.2=74...(21) HB2 ARG 81 - HA ILE 93 far 0 98 0 - 7.6-10.2 HG13 ILE 7 - HA ILE 93 far 0 82 0 - 9.3-11.1 Violated in 0 structures by 0.00 A. Peak 10009 from cnoeabs.peaks (0.49, 3.54, 66.22 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.89: QD2 LEU 55 + HA ILE 93 OK 89 90 100 100 1.9-2.9 9262=84, 10021/4163=45...(23) QD1 LEU 3 - HA ILE 93 far 0 88 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 10010 from cnoeabs.peaks (2.39, 1.80, 37.57 ppm; 5.24 A): 2 out of 3 assignments used, quality = 1.00: HB3 MET 21 + HB ILE 93 OK 99 99 100 100 3.4-4.3 3.0/10011=61...(26) HG3 MET 21 + HB ILE 93 OK 99 99 100 100 1.9-5.2 1.8/10011=72, ~10319=56...(27) HG3 GLU 17 - HB ILE 93 far 0 61 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 10011 from cnoeabs.peaks (2.93, 1.80, 37.57 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.99: HG2 MET 21 + HB ILE 93 OK 98 98 100 100 1.9-3.8 10012/2.1=61...(29) HE2 LYS 94 + HB ILE 93 OK 28 99 40 72 5.9-7.2 7.3/7507=25...(10) HE3 LYS 94 - HB ILE 93 far 14 95 15 - 5.9-7.4 HE3 LYS 24 - HB ILE 93 far 0 70 0 - 7.2-12.2 HE3 LYS 90 - HB ILE 93 far 0 99 0 - 7.2-9.0 HE2 LYS 24 - HB ILE 93 far 0 70 0 - 7.7-12.3 HE2 LYS 20 - HB ILE 93 far 0 96 0 - 9.6-11.6 HE3 LYS 20 - HB ILE 93 far 0 96 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 10012 from cnoeabs.peaks (2.93, 0.75, 17.00 ppm; 4.48 A): 2 out of 8 assignments used, quality = 0.99: HG2 MET 21 + QG2 ILE 93 OK 98 98 100 100 1.9-4.2 3.4/10319=68...(39) HE2 LYS 94 + QG2 ILE 93 OK 25 99 30 85 4.7-6.9 6.0/12249=26...(15) HE3 LYS 94 - QG2 ILE 93 far 14 95 15 - 5.6-6.8 HE3 LYS 24 - QG2 ILE 93 far 7 70 10 - 5.6-9.9 HE2 LYS 24 - QG2 ILE 93 far 0 70 0 - 6.1-9.5 HE3 LYS 90 - QG2 ILE 93 far 0 99 0 - 7.1-9.2 HE3 LYS 20 - QG2 ILE 93 far 0 96 0 - 7.8-10.1 HE2 LYS 20 - QG2 ILE 93 far 0 96 0 - 8.1-9.7 Violated in 0 structures by 0.00 A. Peak 10013 from cnoeabs.peaks (2.39, 0.75, 17.00 ppm; 4.06 A): 2 out of 4 assignments used, quality = 1.00: HB3 MET 21 + QG2 ILE 93 OK 99 99 100 100 2.8-4.4 4.3/10319=46...(34) HG3 MET 21 + QG2 ILE 93 OK 99 99 100 100 2.1-5.0 3.4/10319=57...(34) HG3 GLU 17 - QG2 ILE 93 far 0 61 0 - 9.1-10.8 HG3 MET 1 - QG2 ILE 93 far 0 82 0 - 9.3-13.0 Violated in 0 structures by 0.00 A. Peak 10014 from cnoeabs.peaks (0.50, 0.75, 17.00 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + QG2 ILE 93 OK 99 99 100 100 3.1-4.0 9262/3.2=76...(26) QD1 LEU 3 + QG2 ILE 93 OK 26 68 70 55 5.1-6.4 14672/10031=14...(13) Violated in 0 structures by 0.00 A. Peak 10015 from cnoeabs.peaks (0.50, 1.80, 37.57 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 55 + HB ILE 93 OK 100 100 100 100 3.8-4.7 9262/3.0=97, 9266/3.0=90...(17) Violated in 0 structures by 0.00 A. Peak 10016 from cnoeabs.peaks (0.49, 2.04, 30.82 ppm; 5.02 A): 1 out of 2 assignments used, quality = 0.90: QD2 LEU 55 + HG12 ILE 93 OK 90 90 100 100 1.9-3.2 10021/2.1=93, 9266=80...(21) QD1 LEU 3 - HG12 ILE 93 far 0 88 0 - 7.7-9.4 Violated in 0 structures by 0.00 A. Peak 10017 from cnoeabs.peaks (0.94, 2.04, 30.82 ppm; 5.07 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 5 + HG12 ILE 93 OK 100 100 100 100 1.9-4.0 10322/3.2=84...(16) HG LEU 55 + HG12 ILE 93 OK 91 91 100 100 4.6-6.1 2.1/9266=81, ~10021=67...(17) QG2 VAL 83 - HG12 ILE 93 far 14 92 15 - 6.0-8.1 HB2 ARG 81 - HG12 ILE 93 far 0 99 0 - 7.5-11.3 QG2 THR 80 - HG12 ILE 93 far 0 63 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 10018 from cnoeabs.peaks (0.93, 0.74, 30.82 ppm; 4.89 A): 2 out of 5 assignments used, quality = 0.99: QG2 VAL 5 + HG13 ILE 93 OK 96 96 100 100 2.1-4.2 10322/3.2=81, ~10198=57...(25) HG LEU 55 + HG13 ILE 93 OK 71 71 100 100 4.5-5.6 2.1/10019=76, ~10021=63...(20) QG2 VAL 83 - HG13 ILE 93 poor 17 73 60 38 6.2-7.8 9931/9932=18...(8) HB2 ARG 81 - HG13 ILE 93 far 0 100 0 - 6.8-9.8 HG13 ILE 7 - HG13 ILE 93 far 0 59 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 10019 from cnoeabs.peaks (0.50, 0.74, 30.82 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + HG13 ILE 93 OK 99 99 100 100 2.0-3.2 10021/2.1=90...(27) QD1 LEU 3 - HG13 ILE 93 far 0 68 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 10020 from cnoeabs.peaks (1.22, 0.77, 14.14 ppm; 3.19 A): 1 out of 3 assignments used, quality = 0.92: QB ALA 18 + QD1 ILE 93 OK 92 100 100 93 1.8-2.8 8482=37, 2.1/10026=34...(24) HB2 LEU 57 - QD1 ILE 93 far 0 84 0 - 4.8-5.8 QG2 THR 84 - QD1 ILE 93 far 0 91 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 10021 from cnoeabs.peaks (0.49, 0.77, 14.14 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.95: QD2 LEU 55 + QD1 ILE 93 OK 95 96 100 99 2.9-4.0 9266/2.1=57...(22) QD1 LEU 3 - QD1 ILE 93 far 0 79 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 10022 from cnoeabs.peaks (1.22, 0.74, 30.82 ppm; 5.87 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 18 + HG13 ILE 93 OK 98 98 100 100 3.4-4.9 10020/2.1=99, ~10026=56...(20) HB2 LEU 57 + HG13 ILE 93 OK 82 92 100 89 5.6-7.3 10023/1.8=36...(14) HB2 LEU 6 - HG13 ILE 93 far 0 65 0 - 8.5-9.8 Violated in 0 structures by 0.00 A. Peak 10023 from cnoeabs.peaks (1.22, 2.04, 30.82 ppm; 6.14 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 18 + HG12 ILE 93 OK 98 98 100 100 3.6-5.2 10020/2.1=99, ~10026=58...(18) HB2 LEU 57 + HG12 ILE 93 OK 85 92 100 92 5.6-7.4 10022/1.8=40, ~4156=23...(12) HB2 LEU 6 - HG12 ILE 93 far 0 65 0 - 8.5-9.2 Violated in 0 structures by 0.00 A. Peak 10024 from cnoeabs.peaks (2.94, 0.77, 14.14 ppm; 4.77 A): 1 out of 10 assignments used, quality = 1.00: HG2 MET 21 + QD1 ILE 93 OK 100 100 100 100 1.9-3.9 3.4/10318=68...(37) HE3 LYS 90 - QD1 ILE 93 poor 18 100 25 73 5.6-7.4 6.2/10025=37...(10) HE2 LYS 94 - QD1 ILE 93 far 0 92 0 - 6.5-7.9 HE3 LYS 20 - QD1 ILE 93 far 0 82 0 - 6.5-8.8 HE3 LYS 94 - QD1 ILE 93 far 0 79 0 - 6.5-8.2 HE2 LYS 20 - QD1 ILE 93 far 0 81 0 - 6.9-8.7 HE3 LYS 24 - QD1 ILE 93 far 0 90 0 - 7.2-11.0 HE2 LYS 24 - QD1 ILE 93 far 0 90 0 - 7.5-11.1 HE3 LYS 13 - QD1 ILE 93 far 0 94 0 - 9.8-13.5 HE2 LYS 13 - QD1 ILE 93 far 0 92 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 10025 from cnoeabs.peaks (3.66, 0.77, 14.14 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.98: HA LYS 90 + QD1 ILE 93 OK 98 99 100 100 1.8-2.0 4129/3.2=54...(27) HA LEU 14 - QD1 ILE 93 far 0 87 0 - 6.2-7.7 HA GLU 88 - QD1 ILE 93 far 0 100 0 - 6.8-7.1 Violated in 0 structures by 0.00 A. Peak 10026 from cnoeabs.peaks (3.78, 0.77, 14.14 ppm; 3.56 A): 2 out of 4 assignments used, quality = 1.00: HA ALA 18 + QD1 ILE 93 OK 99 100 100 99 1.8-3.1 2.1/10020=76, 8480=43...(28) HA ARG 19 + QD1 ILE 93 OK 58 75 95 81 3.7-5.1 4.9/10020=33, 8509=31...(15) HA SER 97 - QD1 ILE 93 far 0 61 0 - 7.3-8.7 HB3 SER 102 - QD1 ILE 93 far 0 73 0 - 9.5-17.6 Violated in 0 structures by 0.00 A. Peak 10027 from cnoeabs.peaks (3.65, 0.75, 17.00 ppm; 5.05 A): 1 out of 3 assignments used, quality = 0.95: HA LYS 90 + QG2 ILE 93 OK 95 95 100 100 3.5-4.3 4129/2.1=82...(27) HA GLU 88 - QG2 ILE 93 far 0 100 0 - 8.4-8.8 HA LEU 14 - QG2 ILE 93 far 0 77 0 - 9.0-10.7 Violated in 0 structures by 0.00 A. Peak 10028 from cnoeabs.peaks (3.83, 0.75, 17.00 ppm; 3.72 A): 3 out of 7 assignments used, quality = 0.99: HA ALA 22 + QG2 ILE 93 OK 98 100 100 98 1.9-2.8 3.0/11002=41...(33) HA LYS 94 + QG2 ILE 93 OK 58 61 100 95 2.8-3.4 ~7507=32, ~4137=30...(30) HA SER 97 + QG2 ILE 93 OK 29 99 35 84 4.2-5.7 3.0/10324=20...(17) HA ARG 19 - QG2 ILE 93 far 5 94 5 - 5.0-6.7 HA2 GLY 100 - QG2 ILE 93 far 0 61 0 - 7.3-10.7 HA2 GLY 101 - QG2 ILE 93 far 0 61 0 - 7.3-11.9 HB3 SER 102 - QG2 ILE 93 far 0 95 0 - 7.6-15.1 Violated in 0 structures by 0.00 A. Peak 10029 from cnoeabs.peaks (3.86, 1.80, 37.57 ppm; 5.48 A): 4 out of 5 assignments used, quality = 1.00: HA LYS 94 + HB ILE 93 OK 100 100 100 100 4.3-4.7 3.0/7507=97...(21) HA ARG 91 + HB ILE 93 OK 77 87 100 89 4.6-5.3 7512/7507=41...(15) HA ALA 22 + HB ILE 93 OK 62 63 100 98 4.4-5.5 ~11002=59, ~11004=46...(15) HA ALA 89 + HB ILE 93 OK 62 63 100 97 5.2-5.9 4.8/4129=67, ~10321=66...(11) HA2 GLY 101 - HB ILE 93 far 0 100 0 - 9.8-15.5 Violated in 0 structures by 0.00 A. Peak 10030 from cnoeabs.peaks (4.44, 0.75, 17.00 ppm; 5.48 A): 2 out of 3 assignments used, quality = 0.98: HA MET 21 + QG2 ILE 93 OK 85 85 100 100 3.8-5.0 3.6/11002=76...(34) HA ALA 25 + QG2 ILE 93 OK 83 88 100 95 5.0-6.0 2.1/10320=36...(16) HA LEU 2 - QG2 ILE 93 far 0 82 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 10031 from cnoeabs.peaks (7.03, 0.75, 17.00 ppm; 5.49 A): 1 out of 4 assignments used, quality = 1.00: QD PHE 96 + QG2 ILE 93 OK 100 100 100 100 3.3-5.0 10004/3.2=71, ~4128=57...(30) HZ PHE 96 - QG2 ILE 93 far 10 68 15 - 6.6-8.4 HE ARG 91 - QG2 ILE 93 far 0 73 0 - 8.4-10.4 HZ3 TRP 92 - QG2 ILE 93 far 0 65 0 - 9.6-10.2 Violated in 0 structures by 0.00 A. Peak 10032 from cnoeabs.peaks (7.69, 0.75, 17.00 ppm; 5.05 A): 3 out of 3 assignments used, quality = 1.00: H MET 21 + QG2 ILE 93 OK 99 99 100 100 4.3-5.7 6337/10319=79...(22) H ALA 25 + QG2 ILE 93 OK 93 95 100 99 4.0-4.9 8604/11002=46...(19) H GLU 98 + QG2 ILE 93 OK 49 61 100 80 5.4-6.1 4.5/10324=29...(9) Violated in 0 structures by 0.00 A. Peak 10036 from cnoeabs.peaks (4.79, 2.27, 36.47 ppm; 5.00 A): 1 out of 5 assignments used, quality = 0.76: HA TRP 92 + HG2 GLU 95 OK 76 77 100 99 1.9-5.0 10037/1.8=70...(6) HA THR 34 - HG2 GLU 62 far 14 91 15 - 6.1-10.1 HA ASN 60 - HG2 GLU 62 far 8 77 10 - 4.7-7.1 HA ASN 60 - HG3 GLU 62 far 8 77 10 - 6.2-8.2 HA THR 34 - HG3 GLU 62 far 5 91 5 - 6.5-8.5 Violated in 1 structures by 0.00 A. Peak 10037 from cnoeabs.peaks (4.78, 2.52, 36.47 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.65: HA TRP 92 + HG3 GLU 95 OK 65 65 100 99 3.1-5.6 10036/1.8=90...(6) Violated in 3 structures by 0.03 A. Peak 10040 from cnoeabs.peaks (1.05, 2.52, 36.47 ppm; 5.35 A): 0 out of 3 assignments used, quality = 0.00: HG2 ARG 91 - HG3 GLU 95 far 0 85 0 - 6.9-10.5 HB3 LEU 55 - HG3 GLU 95 far 0 85 0 - 7.1-11.2 HB3 ARG 81 - HG3 GLU 95 far 0 100 0 - 7.6-12.4 Violated in 20 structures by 2.06 A. Peak 10041 from cnoeabs.peaks (0.78, 2.52, 36.47 ppm; 4.92 A): 0 out of 5 assignments used, quality = 0.00: QD2 LEU 57 - HG3 GLU 95 far 10 97 10 - 6.3-10.5 QG2 ILE 93 - HG3 GLU 95 far 4 75 5 - 6.0-7.8 HG13 ILE 93 - HG3 GLU 95 far 0 61 0 - 6.7-10.2 QD1 LEU 27 - HG3 GLU 95 far 0 98 0 - 6.8-8.8 QD1 ILE 93 - HG3 GLU 95 far 0 98 0 - 7.3-9.3 Violated in 20 structures by 1.28 A. Peak 10042 from cnoeabs.peaks (0.71, 2.52, 36.47 ppm; 4.81 A): 0 out of 4 assignments used, quality = 0.00: HG3 ARG 81 - HG3 GLU 95 far 4 79 5 - 6.3-11.8 HG13 ILE 93 - HG3 GLU 95 far 0 71 0 - 6.7-10.2 QG1 VAL 5 - HG3 GLU 95 far 0 96 0 - 7.2-10.7 QD2 LEU 27 - HG3 GLU 95 far 0 93 0 - 8.0-10.3 Violated in 20 structures by 2.48 A. Peak 10047 from cnoeabs.peaks (0.75, 3.10, 40.43 ppm; 4.91 A): 6 out of 13 assignments used, quality = 1.00: QG2 ILE 93 + HB2 PHE 96 OK 100 100 100 100 3.0-4.0 3.2/4325=75...(21) HG13 ILE 93 + HB2 PHE 96 OK 97 99 100 98 4.6-5.6 4.0/4325=65, ~10031=36...(18) QD1 LEU 27 + HB2 PHE 96 OK 95 95 100 100 3.1-4.2 8645/2.4=85, ~8647=60...(17) QD1 ILE 93 + HB2 PHE 96 OK 90 94 100 96 5.3-6.2 4.2/4325=63, ~10031=37...(13) QD2 LEU 27 + HB2 PHE 96 OK 89 90 100 100 4.3-5.5 8647/2.4=75, ~8645=63...(13) QG1 VAL 5 + HB2 PHE 96 OK 81 85 100 95 4.2-5.4 ~8169=40, 2.1/8177=26...(16) HG3 ARG 81 - HB2 PHE 96 far 0 98 0 - 7.0-9.6 QG1 VAL 54 - HB2 PHE 96 far 0 99 0 - 7.4-8.6 QD1 LEU 6 - HB2 PHE 96 far 0 93 0 - 8.6-11.4 HG13 ILE 56 - HB2 PHE 96 far 0 63 0 - 9.3-12.2 QG2 VAL 78 - HB2 PHE 96 far 0 77 0 - 9.6-10.4 QG1 VAL 78 - HB2 PHE 96 far 0 100 0 - 9.7-10.8 QD2 LEU 42 - HB2 PHE 96 far 0 96 0 - 9.8-12.1 Violated in 0 structures by 0.00 A. Peak 10048 from cnoeabs.peaks (0.48, 3.10, 40.43 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 3 + HB2 PHE 96 OK 87 95 95 97 4.9-6.1 8074/4.4=43, 8073/2.4=34...(16) QD2 LEU 55 + HB2 PHE 96 OK 81 81 100 100 2.6-3.4 10050/1.8=85...(30) Violated in 0 structures by 0.00 A. Peak 10049 from cnoeabs.peaks (0.75, 3.47, 40.43 ppm; 4.80 A): 6 out of 14 assignments used, quality = 1.00: QG2 ILE 93 + HB3 PHE 96 OK 100 100 100 100 4.3-5.1 3.2/4128=74...(17) HG13 ILE 93 + HB3 PHE 96 OK 97 99 100 97 5.0-6.0 4.0/4128=63...(16) QD1 LEU 27 + HB3 PHE 96 OK 95 95 100 100 4.6-5.7 8645/2.4=83, ~8647=58...(14) QG1 VAL 5 + HB3 PHE 96 OK 82 85 100 96 4.7-6.1 8195/10050=56, ~8169=38...(14) QD2 LEU 27 + HB3 PHE 96 OK 35 90 40 99 5.8-6.9 8647/2.4=73, ~8645=61...(12) HG3 ARG 81 + HB3 PHE 96 OK 25 98 55 46 5.5-8.0 3614/9256=26, ~10053=5...(9) QD1 ILE 93 - HB3 PHE 96 poor 19 94 20 - 6.0-6.7 QG1 VAL 54 - HB3 PHE 96 far 0 99 0 - 7.5-8.9 QG2 VAL 78 - HB3 PHE 96 far 0 77 0 - 8.6-9.9 HG13 ILE 56 - HB3 PHE 96 far 0 63 0 - 8.9-11.8 QD1 LEU 6 - HB3 PHE 96 far 0 93 0 - 9.1-11.8 QG1 VAL 78 - HB3 PHE 96 far 0 100 0 - 9.4-10.6 QD1 LEU 64 - HB3 PHE 96 far 0 99 0 - 9.5-10.7 QD2 LEU 42 - HB3 PHE 96 far 0 96 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 10050 from cnoeabs.peaks (0.49, 3.47, 40.43 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.96: QD2 LEU 55 + HB3 PHE 96 OK 96 96 100 100 2.0-3.5 9263=91, 2.1/9256=50...(24) QD1 LEU 3 - HB3 PHE 96 far 0 79 0 - 6.0-7.2 Violated in 0 structures by 0.00 A. Peak 10051 from cnoeabs.peaks (0.43, 3.47, 40.43 ppm; 5.09 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 55 + HB3 PHE 96 OK 100 100 100 100 2.0-4.4 2.1/10050=94, 9256=84...(28) QD1 LEU 3 + HB3 PHE 96 OK 39 73 55 97 6.0-7.2 8074/4.4=37, ~8071=33...(16) HG2 ARG 81 - HB3 PHE 96 poor 20 100 20 - 6.0-8.6 Violated in 0 structures by 0.00 A. Peak 10052 from cnoeabs.peaks (0.95, 3.47, 40.43 ppm; 5.99 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 5 + HB3 PHE 96 OK 100 100 100 100 3.9-5.1 8170/4.4=85...(18) HG LEU 55 + HB3 PHE 96 OK 96 96 100 100 4.6-6.0 2.1/10050=100...(19) HB2 ARG 81 - HB3 PHE 96 poor 14 95 30 50 7.1-9.4 3587/9256=29...(7) QG2 VAL 83 - HB3 PHE 96 far 0 97 0 - 8.9-9.8 QG2 THR 80 - HB3 PHE 96 far 0 75 0 - 9.0-10.5 Violated in 0 structures by 0.00 A. Peak 10053 from cnoeabs.peaks (0.93, 7.03, 131.42 ppm; 6.07 A): 3 out of 4 assignments used, quality = 0.97: QG2 VAL 5 + QD PHE 96 OK 91 91 100 100 2.0-3.5 8170/2.2=87...(25) HG LEU 55 + QD PHE 96 OK 59 59 100 100 4.4-5.0 ~9263=83, ~10050=82...(24) HB2 ARG 81 + QD PHE 96 OK 30 100 70 43 6.6-8.5 3587/9275=18...(8) QG2 VAL 83 - QD PHE 96 far 0 61 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 10054 from cnoeabs.peaks (0.73, 7.03, 131.42 ppm; 5.27 A): 9 out of 18 assignments used, quality = 1.00: QD2 LEU 27 + QD PHE 96 OK 100 100 100 100 3.1-4.2 8647=98, 2.1/8645=96...(26) QG1 VAL 5 + QD PHE 96 OK 99 100 100 100 3.6-5.3 ~8170=74, 2.1/8169=61...(23) HG13 ILE 93 + QD PHE 96 OK 98 99 100 99 4.7-6.5 3.2/10031=63...(19) QG2 ILE 93 + QD PHE 96 OK 95 95 100 100 3.3-5.0 10031=82, 3.2/10004=66...(28) QD1 LEU 27 + QD PHE 96 OK 68 68 100 100 2.0-3.5 2.1/8647=95, ~8646=69...(26) QG1 VAL 54 + QD PHE 96 OK 66 81 100 82 5.7-6.4 ~9220=51, 3.2/9221=22...(12) QD1 ILE 93 + QD PHE 96 OK 47 65 75 96 5.4-6.9 3.1/10031=64...(13) HG3 ARG 81 + QD PHE 96 OK 46 100 90 52 5.0-6.8 3614/9275=17...(13) QD1 ILE 56 + QD PHE 96 OK 24 84 90 32 6.0-8.1 9271/9275=7, 9248/9287=7...(8) QG2 VAL 78 - QD PHE 96 far 0 98 0 - 7.0-8.0 HG13 ILE 56 - QD PHE 96 far 0 93 0 - 7.2-9.5 QD1 LEU 6 - QD PHE 96 far 0 63 0 - 7.3-9.8 QG1 VAL 78 - QD PHE 96 far 0 98 0 - 7.5-8.3 QD1 ILE 52 - QD PHE 96 far 0 59 0 - 7.5-9.7 QD2 LEU 42 - QD PHE 96 far 0 71 0 - 7.8-9.8 QD1 LEU 64 - QD PHE 96 far 0 99 0 - 8.5-9.7 QD1 ILE 8 - QD PHE 96 far 0 87 0 - 9.2-11.0 QG1 VAL 58 - QD PHE 96 far 0 98 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 10055 from cnoeabs.peaks (0.49, 7.03, 131.42 ppm; 6.35 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + QD PHE 96 OK 90 90 100 100 2.2-3.7 10050/2.4=99, ~9256=81...(36) QD1 LEU 3 + QD PHE 96 OK 88 88 100 100 3.6-4.6 ~8072=90, 8074/2.2=83...(35) Violated in 0 structures by 0.00 A. Peak 10058 from cnoeabs.peaks (0.75, 6.95, 131.21 ppm; 5.70 A): 10 out of 17 assignments used, quality = 1.00: QG2 ILE 93 + QE PHE 96 OK 97 97 100 100 4.9-6.6 10322/8170=86...(15) QG1 VAL 54 + QE PHE 96 OK 93 93 100 99 4.4-5.2 3.2/9220=83, 4.0/9218=58...(16) QD2 LEU 27 + QE PHE 96 OK 88 88 100 100 3.3-4.7 2.1/8644=98, 8646=90...(23) QD1 LEU 27 + QE PHE 96 OK 87 87 100 100 3.0-4.9 2.1/8646=99, 8645/2.2=89...(22) QG1 VAL 5 + QE PHE 96 OK 84 84 100 100 4.0-5.9 2.1/8170=100, ~8169=51...(19) QG1 VAL 78 + QE PHE 96 OK 64 97 100 66 5.8-6.6 6898/9218=29...(6) QG2 VAL 78 + QE PHE 96 OK 47 77 100 61 5.3-6.7 3.2/10330=20...(8) HG3 ARG 81 + QE PHE 96 OK 36 95 65 58 5.9-8.1 3614/9274=30, ~10053=8...(10) HG13 ILE 93 + QE PHE 96 OK 32 97 35 95 6.6-8.0 ~10031=51, 10019/9285=46...(14) QD1 ILE 93 + QE PHE 96 OK 22 85 30 87 6.6-8.1 ~10031=52, 10021/9285=43...(8) QD1 LEU 6 - QE PHE 96 far 13 84 15 - 6.8-9.4 HG13 ILE 56 - QE PHE 96 far 10 64 15 - 6.1-8.5 QG2 ILE 52 - QE PHE 96 poor 8 72 40 29 6.0-7.9 9162/8061=16...(3) QD2 LEU 42 - QE PHE 96 lone 6 89 60 12 6.3-8.5 2485/9220=9, 3476/10330=1 QD1 LEU 64 - QE PHE 96 far 0 96 0 - 8.2-9.8 QD1 ILE 8 - QE PHE 96 far 0 55 0 - 8.8-10.4 QG1 VAL 58 - QE PHE 96 far 0 75 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 10059 from cnoeabs.peaks (0.93, 6.95, 131.21 ppm; 5.98 A): 2 out of 4 assignments used, quality = 0.97: QG2 VAL 5 + QE PHE 96 OK 92 92 100 100 2.0-4.1 8170=94, 8169/2.2=59...(26) HG LEU 55 + QE PHE 96 OK 66 66 100 100 4.6-5.6 3.7/10669=88...(18) HB2 ARG 81 - QE PHE 96 far 5 97 5 - 7.3-9.7 QG2 VAL 83 - QE PHE 96 far 0 68 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 10066 from cnoeabs.peaks (0.46, 3.82, 60.49 ppm; 3.61 A): 1 out of 2 assignments used, quality = 1.00: QD1 LEU 3 + HA SER 97 OK 100 100 100 100 1.9-2.9 8093=99, 2.1/8090=53...(17) QD1 LEU 55 - HA SER 97 far 0 84 0 - 6.6-8.5 Violated in 0 structures by 0.00 A. Peak 10067 from cnoeabs.peaks (0.24, 3.82, 60.49 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.96: QD2 LEU 3 + HA SER 97 OK 96 96 100 100 2.1-3.6 2.1/10066=94, 8090=94...(15) Violated in 0 structures by 0.00 A. Peak 10068 from cnoeabs.peaks (0.73, 3.82, 60.49 ppm; 3.58 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 27 + HA SER 97 OK 99 100 100 99 2.2-3.2 8640=46, 10136/8090=35...(21) QD1 LEU 27 + HA SER 97 OK 66 68 100 97 2.5-3.8 2.1/8640=33, 8641=29...(22) QG2 ILE 93 + HA SER 97 OK 23 95 30 80 4.2-5.7 ~7565=18, 10324/3.0=17...(17) QG1 VAL 5 - HA SER 97 far 0 100 0 - 6.8-7.8 QD1 ILE 93 - HA SER 97 far 0 65 0 - 7.3-8.7 HG13 ILE 93 - HA SER 97 far 0 99 0 - 7.9-9.2 QG1 VAL 54 - HA SER 97 far 0 81 0 - 8.3-9.8 QD1 ILE 52 - HA SER 97 far 0 59 0 - 9.4-11.5 QD1 ILE 56 - HA SER 97 far 0 84 0 - 9.8-12.2 Violated in 0 structures by 0.00 A. Peak 10069 from cnoeabs.peaks (1.34, 3.82, 60.49 ppm; 4.06 A): 2 out of 5 assignments used, quality = 0.98: QB ALA 25 + HA SER 97 OK 97 100 100 97 3.9-5.2 10073/3.0=61...(12) HB3 LEU 27 + HA SER 97 OK 24 100 25 96 5.2-6.3 3.1/10068=35...(17) HG2 LYS 94 - HA SER 97 far 0 100 0 - 7.4-9.2 HG3 LYS 94 - HA SER 97 far 0 61 0 - 7.5-9.3 HB3 LEU 2 - HA SER 97 far 0 99 0 - 7.6-9.6 Violated in 18 structures by 0.29 A. Peak 10070 from cnoeabs.peaks (1.58, 3.82, 60.49 ppm; 4.07 A): 2 out of 9 assignments used, quality = 0.98: HB2 LEU 3 + HA SER 97 OK 85 87 100 98 3.1-4.2 3.1/10066=66...(13) HG LEU 27 + HA SER 97 OK 84 91 95 98 4.0-5.9 2.1/10068=43...(16) HD3 LYS 53 - HA SER 97 far 0 85 0 - 6.9-9.6 HD3 LYS 94 - HA SER 97 far 0 91 0 - 7.0-10.2 HB2 LEU 103 - HA SER 97 far 0 99 0 - 8.2-14.2 HG LEU 103 - HA SER 97 far 0 100 0 - 8.5-15.0 HB2 ARG 79 - HA SER 97 far 0 88 0 - 9.2-11.8 HG2 LYS 24 - HA SER 97 far 0 99 0 - 9.4-11.9 HB3 LEU 29 - HA SER 97 far 0 93 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 10071 from cnoeabs.peaks (3.16, 3.82, 60.49 ppm; 5.20 A): 0 out of 2 assignments used, quality = 0.00: HB3 TRP 92 - HA SER 97 far 0 61 0 - 9.7-10.5 HB2 HIS 105 - HA SER 97 far 0 71 0 - 9.7-20.7 Violated in 20 structures by 4.63 A. Peak 10072 from cnoeabs.peaks (1.59, 3.98, 63.02 ppm; 5.25 A): 1 out of 7 assignments used, quality = 1.00: HG LEU 27 + HB3 SER 97 OK 100 100 100 100 3.2-5.5 2.1/8643=44, ~8642=42...(18) HD3 LYS 94 - HB3 SER 97 poor 20 100 20 - 4.4-8.3 HD2 LYS 94 - HB3 SER 97 poor 18 77 30 76 3.3-8.1 4.7/4355=68, ~2145=19...(5) HG2 LYS 24 - HB3 SER 97 far 0 99 0 - 7.2-9.7 HB3 LEU 29 - HB3 SER 97 far 0 100 0 - 8.3-11.4 HG LEU 103 - HB3 SER 97 far 0 98 0 - 9.2-16.9 HB2 LEU 103 - HB3 SER 97 far 0 99 0 - 9.4-16.5 Violated in 2 structures by 0.01 A. Peak 10073 from cnoeabs.peaks (1.33, 3.98, 63.02 ppm; 3.61 A): 1 out of 6 assignments used, quality = 0.92: QB ALA 25 + HB3 SER 97 OK 92 98 100 94 2.4-3.6 10130=44, 10130/1.8=38...(13) HG2 LYS 94 - HB3 SER 97 far 15 98 15 - 4.6-7.9 HB3 LEU 27 - HB3 SER 97 far 5 95 5 - 4.6-7.2 HG LEU 3 - HB3 SER 97 far 0 81 0 - 5.8-8.7 HB3 LEU 2 - HB3 SER 97 far 0 100 0 - 9.4-11.9 QB ALA 89 - HB3 SER 97 far 0 98 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10074 from cnoeabs.peaks (0.73, 3.98, 63.02 ppm; 3.68 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 27 + HB3 SER 97 OK 99 100 100 99 2.1-4.4 8643=38, 8643/1.8=34...(20) QG2 ILE 93 + HB3 SER 97 OK 76 95 100 81 2.8-5.0 12249/4355=29...(15) QD1 LEU 27 + HB3 SER 97 OK 66 68 100 97 2.0-4.2 ~10077=29, 2.1/10072=29...(22) QD1 ILE 93 - HB3 SER 97 far 0 65 0 - 6.0-8.1 HG13 ILE 93 - HB3 SER 97 far 0 99 0 - 6.8-9.0 QG1 VAL 5 - HB3 SER 97 far 0 100 0 - 6.9-8.6 QG1 VAL 54 - HB3 SER 97 far 0 81 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 10075 from cnoeabs.peaks (0.44, 3.98, 63.02 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.84: QD1 LEU 3 + HB3 SER 97 OK 84 84 100 100 3.2-5.4 8093/3.0=68, 8092/1.8=66...(14) QD1 LEU 55 - HB3 SER 97 far 0 100 0 - 7.2-9.2 Violated in 1 structures by 0.03 A. Peak 10076 from cnoeabs.peaks (0.26, 3.98, 63.02 ppm; 6.12 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + HB3 SER 97 OK 100 100 100 100 3.9-6.2 8089/1.8=99...(12) Violated in 2 structures by 0.00 A. Peak 10077 from cnoeabs.peaks (1.60, 3.95, 63.02 ppm; 5.08 A): 1 out of 7 assignments used, quality = 1.00: HG LEU 27 + HB2 SER 97 OK 100 100 100 100 2.9-5.5 2.1/8642=50, 2.1/8643=45...(18) HD3 LYS 94 - HB2 SER 97 poor 20 100 20 - 4.2-8.6 HD2 LYS 94 - HB2 SER 97 poor 16 81 20 - 4.1-8.1 HG2 LYS 24 - HB2 SER 97 far 0 99 0 - 7.3-9.6 HB3 LEU 29 - HB2 SER 97 far 0 100 0 - 8.1-10.7 HG LEU 103 - HB2 SER 97 far 0 97 0 - 9.5-16.6 HB2 LEU 103 - HB2 SER 97 far 0 99 0 - 9.8-16.0 Violated in 1 structures by 0.02 A. Peak 10078 from cnoeabs.peaks (1.32, 3.95, 63.02 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.91: QB ALA 25 + HB2 SER 97 OK 91 97 100 94 2.0-3.2 10130=45, 10130/1.8=37...(14) HB3 LEU 27 - HB2 SER 97 far 14 93 15 - 4.7-7.6 HG2 LYS 94 - HB2 SER 97 far 0 97 0 - 5.3-8.1 HG LEU 3 - HB2 SER 97 far 0 84 0 - 6.1-7.6 HB3 LEU 2 - HB2 SER 97 far 0 99 0 - 9.1-12.0 QB ALA 89 - HB2 SER 97 far 0 97 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 10079 from cnoeabs.peaks (0.73, 3.95, 63.02 ppm; 3.70 A): 3 out of 7 assignments used, quality = 1.00: QD2 LEU 27 + HB2 SER 97 OK 99 100 100 99 2.1-4.5 8643=40, 2.1/10077=38...(20) QG2 ILE 93 + HB2 SER 97 OK 75 95 100 79 3.0-4.2 12249/4349=27, 10324=22...(15) QD1 LEU 27 + HB2 SER 97 OK 66 68 100 98 1.9-3.9 2.1/10077=38...(22) QG1 VAL 5 - HB2 SER 97 far 0 100 0 - 6.0-8.3 QD1 ILE 93 - HB2 SER 97 far 0 65 0 - 6.2-7.3 HG13 ILE 93 - HB2 SER 97 far 0 99 0 - 6.3-8.2 QG1 VAL 54 - HB2 SER 97 far 0 81 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 10080 from cnoeabs.peaks (0.44, 3.95, 63.02 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.84: QD1 LEU 3 + HB2 SER 97 OK 84 84 100 100 3.2-4.7 8092=75, 2.1/8089=68...(11) QD1 LEU 55 - HB2 SER 97 far 0 100 0 - 6.7-8.7 Violated in 1 structures by 0.00 A. Peak 10081 from cnoeabs.peaks (0.26, 3.95, 63.02 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + HB2 SER 97 OK 100 100 100 100 4.0-5.6 2.1/10080=98...(10) Violated in 0 structures by 0.00 A. Peak 10082 from cnoeabs.peaks (7.03, 3.82, 60.49 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: QD PHE 96 + HA SER 97 OK 100 100 100 100 2.9-4.6 7573/3.0=89, ~7571=65...(18) HZ PHE 96 + HA SER 97 OK 41 68 85 71 5.6-7.3 8071/8090=34...(5) Violated in 0 structures by 0.00 A. Peak 10083 from cnoeabs.peaks (7.02, 3.98, 63.02 ppm; 6.00 A): 1 out of 1 assignment used, quality = 0.96: QD PHE 96 + HB3 SER 97 OK 96 96 100 99 4.2-6.0 7573/4.1=82...(9) Violated in 0 structures by 0.00 A. Peak 10089 from cnoeabs.peaks (0.45, 3.71, 45.30 ppm; 4.76 A): 1 out of 2 assignments used, quality = 0.99: QD1 LEU 3 + HA3 GLY 100 OK 99 99 100 100 1.9-5.2 8094=98, 2.1/10090=74...(13) QD1 LEU 55 - HA3 GLY 100 far 0 94 0 - 6.6-10.8 Violated in 1 structures by 0.02 A. Peak 10090 from cnoeabs.peaks (0.25, 3.71, 45.30 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.99: QD2 LEU 3 + HA3 GLY 100 OK 99 99 100 100 1.9-4.4 8091=94, 2.1/10089=78...(13) Violated in 0 structures by 0.00 A. Peak 10091 from cnoeabs.peaks (2.01, 3.87, 45.30 ppm; 5.73 A): 11 out of 22 assignments used, quality = 1.00: HB3 GLU 99 + HA2 GLY 100 OK 81 84 100 97 4.3-6.2 ~10097=58, 3.0/10098=54...(12) HB2 GLU 99 + HA2 GLY 100 OK 71 73 100 97 4.6-5.8 ~10097=58, 3.0/10098=54...(11) HB2 GLU 98 + HA2 GLY 100 OK 66 71 95 97 6.5-7.3 ~11026=54, ~7618=48...(14) HB3 GLU 98 + HA2 GLY 100 OK 54 73 75 97 6.7-7.9 ~11026=54, ~7618=48...(14) HB2 GLU 99 + HA2 GLY 101 OK 48 54 100 89 4.3-7.0 ~10099=51, ~10103=31...(7) HB3 GLU 99 + HA2 GLY 101 OK 47 63 85 89 4.1-7.8 ~10099=51, ~10103=31...(7) HB3 MET 1 + HA2 GLY 100 OK 47 99 65 74 5.4-8.2 8013/12051=39...(5) QE MET 1 + HA2 GLY 100 OK 45 68 100 67 1.9-5.7 8025/12051=26...(7) QE MET 1 + HA2 GLY 101 OK 30 49 95 65 2.3-7.8 8031=20, 8101/10094=17...(11) HB3 GLU 99 + HA3 GLY 101 OK 29 34 95 89 4.6-7.8 ~10099=51, ~10103=31...(7) HB2 GLU 99 + HA3 GLY 101 OK 24 28 95 89 4.3-7.5 ~10099=51, ~10103=31...(7) HB3 MET 1 - HA2 GLY 101 poor 16 80 20 - 5.5-10.1 QE MET 1 - HA3 GLY 101 poor 16 26 95 65 2.0-7.4 8031/1.8=19, 8031=17...(10) HB3 MET 1 - HA3 GLY 101 poor 9 45 20 - 5.0-11.1 HB2 GLU 98 - HA2 GLY 101 far 0 52 0 - 8.2-10.5 HB2 GLU 98 - HA3 GLY 101 far 0 27 0 - 8.3-10.2 HB3 GLU 98 - HA2 GLY 101 far 0 54 0 - 8.4-11.4 HG12 ILE 93 - HA2 GLY 101 far 0 63 0 - 8.8-15.0 HG12 ILE 93 - HA3 GLY 101 far 0 34 0 - 9.2-14.9 HB3 GLU 98 - HA3 GLY 101 far 0 28 0 - 9.5-10.9 HB3 LYS 94 - HA2 GLY 100 far 0 99 0 - 9.6-12.5 HG12 ILE 93 - HA2 GLY 100 far 0 84 0 - 10.0-14.2 Violated in 0 structures by 0.00 A. Peak 10093 from cnoeabs.peaks (0.45, 3.87, 45.30 ppm; 4.72 A): 3 out of 8 assignments used, quality = 0.99: QD1 LEU 3 + HA2 GLY 100 OK 97 98 100 100 2.4-4.6 10089/1.8=78...(13) QD1 LEU 3 + HA2 GLY 101 OK 41 77 55 96 4.1-7.3 10104/3.0=51, ~10105=30...(18) QD1 LEU 3 + HA3 GLY 101 OK 23 43 55 95 4.8-7.3 10104/3.0=51, ~10105=30...(19) QD1 LEU 55 - HA2 GLY 101 far 11 77 15 - 4.2-10.8 QD1 LEU 55 - HA3 GLY 101 lone 3 43 60 12 4.5-10.4 10104/3.0=4, 9257/4453=2...(4) QD1 LEU 55 - HA2 GLY 100 far 0 97 0 - 7.0-10.3 HG2 ARG 81 - HA2 GLY 101 far 0 68 0 - 7.4-15.4 HG2 ARG 81 - HA3 GLY 101 far 0 37 0 - 7.4-14.8 Violated in 0 structures by 0.00 A. Peak 10094 from cnoeabs.peaks (0.26, 3.87, 45.30 ppm; 4.71 A): 3 out of 3 assignments used, quality = 1.00: QD2 LEU 3 + HA2 GLY 100 OK 100 100 100 100 1.8-4.3 8091/1.8=74, ~10089=55...(16) QD2 LEU 3 + HA2 GLY 101 OK 78 82 100 96 2.0-5.5 ~10104=36, 10105/3.0=36...(19) QD2 LEU 3 + HA3 GLY 101 OK 44 47 100 95 2.7-5.1 ~10104=36, 10105/3.0=36...(21) Violated in 0 structures by 0.00 A. Peak 10095 from cnoeabs.peaks (7.04, 3.89, 45.04 ppm; 5.46 A): 4 out of 6 assignments used, quality = 0.94: QD PHE 96 + HA3 GLY 101 OK 67 99 95 72 2.4-8.1 2.2/10096=40...(11) HZ PHE 96 + HA3 GLY 101 OK 61 88 95 73 3.0-8.0 2.2/10096=40...(12) QD PHE 96 + HA2 GLY 101 OK 32 63 85 59 2.5-8.4 ~10096=31, 2.2/10096=20...(7) HZ PHE 96 + HA2 GLY 101 OK 26 52 85 59 3.0-8.9 ~10096=31, 2.2/10096=20...(10) QD PHE 96 - HA2 GLY 100 poor 18 45 90 45 4.3-7.7 8073/12051=18...(6) HZ PHE 96 - HA2 GLY 100 poor 18 36 50 - 5.1-9.3 Violated in 2 structures by 0.06 A. Peak 10096 from cnoeabs.peaks (6.97, 3.89, 45.04 ppm; 5.75 A): 3 out of 6 assignments used, quality = 0.91: QE PHE 96 + HA3 GLY 101 OK 80 95 95 88 2.0-7.3 8072/10108=35...(15) QE PHE 96 + HA2 GLY 101 OK 39 58 95 71 2.6-8.0 ~10095=22, 8072/10108=22...(13) QE PHE 96 + HA2 GLY 100 OK 25 41 95 64 3.9-8.0 8074/12051=32...(13) HD21 ASN 51 - HA2 GLY 101 far 3 65 5 - 7.0-13.7 HD21 ASN 51 - HA3 GLY 101 far 0 100 0 - 8.0-14.1 HD21 ASN 51 - HA2 GLY 100 far 0 47 0 - 9.5-12.6 Violated in 0 structures by 0.00 A. Peak 10097 from cnoeabs.peaks (4.13, 3.71, 45.30 ppm; 5.52 A): 1 out of 3 assignments used, quality = 0.99: HA GLU 99 + HA3 GLY 100 OK 99 100 100 99 4.5-5.4 10098/1.8=79...(14) HA MET 1 - HA3 GLY 100 far 4 81 5 - 6.9-9.7 HA GLU 104 - HA3 GLY 100 far 0 100 0 - 9.1-14.1 Violated in 0 structures by 0.00 A. Peak 10098 from cnoeabs.peaks (4.11, 3.87, 45.04 ppm; 5.08 A): 1 out of 6 assignments used, quality = 0.75: HA GLU 99 + HA2 GLY 100 OK 75 78 100 96 4.5-5.4 10097/1.8=61, ~7619=47...(11) HA GLU 99 - HA2 GLY 101 far 15 98 15 - 5.5-8.1 HA GLU 99 - HA3 GLY 101 far 3 61 5 - 6.5-7.9 HA GLU 104 - HA2 GLY 100 far 0 76 0 - 7.4-13.8 HA GLU 104 - HA3 GLY 101 far 0 59 0 - 7.4-10.7 HA GLU 104 - HA2 GLY 101 far 0 96 0 - 8.7-11.4 Violated in 10 structures by 0.07 A. Peak 10100 from cnoeabs.peaks (1.99, 3.89, 45.04 ppm; 5.48 A): 3 out of 7 assignments used, quality = 0.93: QE MET 1 + HA3 GLY 101 OK 80 99 90 90 2.0-7.4 8026/10108=34...(13) QE MET 1 + HA2 GLY 101 OK 48 62 95 81 2.3-7.8 8031=28, 8031/1.8=26...(13) QE MET 1 + HA2 GLY 100 OK 35 44 100 78 1.9-5.7 8025/12051=35, 8031=28...(11) HB3 MET 1 - HA2 GLY 100 poor 18 42 65 67 5.4-8.2 8013/12051=30...(5) HB3 MET 1 - HA3 GLY 101 far 14 96 15 - 5.0-11.1 HB3 MET 1 - HA2 GLY 101 far 9 59 15 - 5.5-10.1 HB3 LYS 94 - HA2 GLY 100 far 0 26 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 10101 from cnoeabs.peaks (1.55, 3.89, 45.04 ppm; 5.72 A): 6 out of 26 assignments used, quality = 1.00: HD3 LYS 53 + HA3 GLY 101 OK 95 100 100 96 2.4-5.2 3.0/12004=33...(19) HD3 LYS 53 + HA2 GLY 101 OK 58 65 100 90 2.0-6.2 ~12004=26, 9193/10108=18...(20) HB2 LEU 3 + HA3 GLY 101 OK 44 100 45 98 5.8-9.7 ~10104=44, 3.1/10108=42...(14) HB2 LEU 3 + HA2 GLY 100 OK 42 46 90 100 5.0-8.0 ~10089=64, ~8094=64...(12) HB2 LEU 103 + HA3 GLY 101 OK 27 61 65 67 5.1-8.5 4.0/11029=40...(7) HD3 LYS 53 + HA2 GLY 100 OK 25 47 85 64 4.1-8.6 9194/12051=24...(11) HG2 ARG 79 - HA3 GLY 101 poor 15 98 75 20 3.8-9.6 8705/10095=7...(6) HB2 LEU 103 - HA2 GLY 101 poor 15 33 45 - 4.4-9.1 HG LEU 103 - HA3 GLY 101 poor 15 68 35 63 5.6-8.8 5.3/11029=33...(7) HG3 ARG 79 - HA3 GLY 101 lone 14 98 75 20 2.9-10.7 8705/10095=7...(6) HB3 LEU 103 - HA3 GLY 101 poor 13 87 25 62 5.6-9.4 4.0/11029=40...(6) HB2 LEU 3 - HA2 GLY 101 poor 13 64 20 - 5.8-10.2 HG LEU 103 - HA2 GLY 101 poor 11 37 30 - 4.3-9.4 HB3 LEU 103 - HA2 GLY 101 poor 10 50 20 - 4.9-9.9 HG LEU 103 - HA2 GLY 100 far 4 26 15 - 6.8-13.3 HB3 LEU 103 - HA2 GLY 100 far 4 36 10 - 5.5-12.8 HG2 ARG 79 - HA2 GLY 101 lone 3 61 55 10 4.1-10.7 8705/10095=3...(3) HG3 ARG 79 - HA2 GLY 101 lone 3 61 50 9 4.1-11.8 8705/10095=3...(3) HG2 ARG 79 - HA2 GLY 100 far 2 43 5 - 6.8-12.0 HB2 LEU 103 - HA2 GLY 100 far 1 23 5 - 4.7-11.5 HG3 ARG 79 - HA2 GLY 100 far 0 44 0 - 7.6-13.1 HG LEU 2 - HA2 GLY 100 far 0 28 0 - 8.1-12.4 HG12 ILE 56 - HA3 GLY 101 far 0 96 0 - 8.8-14.8 HG12 ILE 56 - HA2 GLY 101 far 0 58 0 - 8.9-15.8 HG LEU 2 - HA2 GLY 101 far 0 41 0 - 9.0-13.3 HG LEU 2 - HA3 GLY 101 far 0 73 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 10102 from cnoeabs.peaks (1.48, 3.89, 45.04 ppm; 5.38 A): 8 out of 16 assignments used, quality = 1.00: HG3 LYS 53 + HA3 GLY 101 OK 90 100 100 91 2.6-5.7 3.9/12004=25...(19) HD2 LYS 53 + HA3 GLY 101 OK 90 96 100 94 2.7-6.1 9192/10108=31...(19) HG2 LYS 53 + HA3 GLY 101 OK 88 98 100 90 2.0-6.4 3.9/12004=25...(18) HG3 LYS 53 + HA2 GLY 101 OK 52 64 100 81 2.0-5.8 10616/1.8=19, ~10101=13...(21) HD2 LYS 53 + HA2 GLY 101 OK 49 58 95 89 2.0-7.7 ~12004=23, 9192/10108=19...(22) HG2 LYS 53 + HA2 GLY 101 OK 47 61 95 80 3.5-7.1 ~10616=16, 10616/1.8=15...(20) HG3 LYS 53 + HA2 GLY 100 OK 22 46 100 48 2.6-6.7 8112/12051=10...(12) HG2 LYS 53 + HA2 GLY 100 OK 20 44 95 48 4.2-7.4 8112/12051=10...(11) HD2 LYS 53 - HA2 GLY 100 poor 17 42 70 58 4.9-7.9 9192/12053=18...(12) HG13 ILE 52 - HA2 GLY 101 far 0 57 0 - 7.2-12.3 HG13 ILE 52 - HA3 GLY 101 far 0 94 0 - 8.1-12.4 HG LEU 2 - HA2 GLY 100 far 0 21 0 - 8.1-12.4 HG13 ILE 52 - HA2 GLY 100 far 0 40 0 - 8.5-13.3 HG LEU 2 - HA2 GLY 101 far 0 31 0 - 9.0-13.3 HB2 LEU 27 - HA2 GLY 100 far 0 40 0 - 9.2-12.9 HG LEU 2 - HA3 GLY 101 far 0 57 0 - 9.7-13.6 Violated in 0 structures by 0.00 A. Peak 10106 from cnoeabs.peaks (2.01, 3.71, 45.30 ppm; 6.42 A): 6 out of 8 assignments used, quality = 1.00: HB3 GLU 99 + HA3 GLY 100 OK 87 87 100 100 4.2-6.3 3.0/10097=87, ~10098=75...(12) HB3 MET 1 + HA3 GLY 100 OK 82 99 90 93 4.6-8.6 8013/8094=72...(4) HB2 GLU 99 + HA3 GLY 100 OK 77 77 100 100 4.5-5.8 3.0/10097=87, ~10098=75...(12) HB3 GLU 98 + HA3 GLY 100 OK 76 77 100 99 6.6-7.7 ~11026=66, ~7618=59...(13) HB2 GLU 98 + HA3 GLY 100 OK 74 75 100 99 6.5-7.3 ~11026=66, ~7618=59...(13) QE MET 1 + HA3 GLY 100 OK 53 63 100 84 2.1-6.3 8101/10090=50...(4) HG12 ILE 93 - HA3 GLY 100 far 0 87 0 - 9.6-14.0 HB3 LYS 94 - HA3 GLY 100 far 0 99 0 - 9.8-12.4 Violated in 0 structures by 0.00 A. Peak 10107 from cnoeabs.peaks (0.45, 3.89, 45.04 ppm; 4.79 A): 3 out of 8 assignments used, quality = 0.82: QD1 LEU 3 + HA3 GLY 101 OK 53 98 55 98 4.8-7.3 10104/3.0=52...(22) QD1 LEU 3 + HA2 GLY 100 OK 43 43 100 100 2.4-4.6 10089/1.8=80...(16) QD1 LEU 3 + HA2 GLY 101 OK 32 61 55 96 4.1-7.3 10104/3.0=52, ~10105=31...(22) QD1 LEU 55 - HA3 GLY 101 poor 15 97 60 25 4.5-10.4 9275/10095=6...(8) QD1 LEU 55 - HA2 GLY 101 far 9 60 15 - 4.2-10.8 QD1 LEU 55 - HA2 GLY 100 far 0 43 0 - 7.0-10.3 HG2 ARG 81 - HA2 GLY 101 far 0 53 0 - 7.4-15.4 HG2 ARG 81 - HA3 GLY 101 far 0 90 0 - 7.4-14.8 Violated in 0 structures by 0.00 A. Peak 10108 from cnoeabs.peaks (0.25, 3.89, 45.04 ppm; 4.51 A): 3 out of 3 assignments used, quality = 0.99: QD2 LEU 3 + HA3 GLY 101 OK 96 99 100 96 2.7-5.1 10105/3.0=34, ~10104=33...(22) QD2 LEU 3 + HA2 GLY 101 OK 60 64 100 94 2.0-5.5 10105/3.0=34, ~10104=33...(22) QD2 LEU 3 + HA2 GLY 100 OK 46 46 100 100 1.8-4.3 10090/1.8=70, ~10089=50...(20) Violated in 0 structures by 0.00 A. Peak 10109 from cnoeabs.peaks (0.45, 3.81, 63.54 ppm; 5.41 A): 1 out of 3 assignments used, quality = 0.22: QD1 LEU 55 + HB3 SER 102 OK 22 97 30 74 4.9-12.8 10110/1.8=68, 9257/3.0=19 QD1 LEU 3 - HB3 SER 102 far 5 98 5 - 6.9-9.9 HG2 ARG 81 - HB3 SER 102 far 0 90 0 - 7.4-16.9 Violated in 18 structures by 2.24 A. Peak 10110 from cnoeabs.peaks (0.44, 3.89, 63.54 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.28: QD1 LEU 55 + HB2 SER 102 OK 28 100 30 94 5.1-12.5 10109/1.8=93, 9257/3.0=23 HG2 ARG 81 - HB2 SER 102 far 10 96 10 - 7.1-16.7 QD1 LEU 3 - HB2 SER 102 far 5 92 5 - 7.3-9.7 Violated in 18 structures by 1.99 A. Peak 10114 from cnoeabs.peaks (1.55, 4.38, 58.19 ppm; 5.16 A): 3 out of 8 assignments used, quality = 0.96: HB3 LEU 103 + HA SER 102 OK 73 77 100 94 4.8-6.2 4.0/7645=85, ~10115=36...(5) HB2 LEU 103 + HA SER 102 OK 70 73 100 95 4.0-6.0 4.0/7645=85, ~10115=36...(7) HG LEU 103 + HA SER 102 OK 55 79 85 82 3.9-7.1 5.3/7645=66, ~10112=20...(5) HG3 ARG 79 - HA SER 102 lone 10 94 75 14 3.9-11.2 7650/7645=7, 9695/9257=5 HG2 ARG 79 - HA SER 102 lone 9 93 65 15 3.0-9.6 7650/7645=8, 9695/9257=5 HD3 LYS 53 - HA SER 102 lone 7 100 55 12 4.0-8.8 10101/4453=4, ~528=2...(4) HB2 LEU 3 - HA SER 102 far 0 100 0 - 8.1-12.8 HG12 ILE 56 - HA SER 102 far 0 90 0 - 9.2-15.5 Violated in 0 structures by 0.00 A. Peak 10115 from cnoeabs.peaks (3.82, 4.30, 55.01 ppm; 5.71 A): 1 out of 3 assignments used, quality = 0.97: HB3 SER 102 + HA LEU 103 OK 97 98 100 100 4.3-5.8 7647/3.0=89, ~7645=66...(5) HA SER 97 - HA LEU 103 far 0 100 0 - 7.8-12.7 HA LYS 68 - HA LEU 103 far 0 94 0 - 8.4-19.3 Violated in 2 structures by 0.00 A. Peak 10118 from cnoeabs.peaks (0.89, 0.75, 29.43 ppm; 4.51 A): 1 out of 4 assignments used, quality = 1.00: HG13 ILE 7 + HG13 ILE 15 OK 100 100 100 100 3.3-5.0 ~8469=58, 12024/1.8=58...(34) HG13 ILE 8 - HG13 ILE 15 far 0 100 0 - 6.8-8.3 QG1 VAL 32 - HG13 ILE 15 far 0 92 0 - 7.9-8.5 QD1 LEU 38 - HG13 ILE 15 far 0 82 0 - 8.5-12.5 Violated in 2 structures by 0.04 A. Peak 10120 from cnoeabs.peaks (3.18, 0.81, 17.32 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 19 + QG2 ILE 15 OK 98 100 100 99 2.9-4.5 8521=48, 2.9/11048=44...(15) HD3 ARG 19 + QG2 ILE 15 OK 98 100 100 99 2.7-5.0 8521=48, 2.9/11048=44...(15) Violated in 0 structures by 0.00 A. Peak 10121 from cnoeabs.peaks (3.85, 0.81, 17.32 ppm; 4.12 A): 1 out of 6 assignments used, quality = 1.00: HA LYS 12 + QG2 ILE 15 OK 100 100 100 100 3.4-4.0 644/2.1=82, 8446/3.0=67...(24) HA GLU 35 - QG2 ILE 8 far 2 37 5 - 5.5-6.5 HA ALA 67 - QG2 ILE 8 far 0 70 0 - 5.9-7.4 HA LEU 38 - QG2 ILE 8 far 0 55 0 - 5.9-6.9 HA LYS 12 - QG2 ILE 8 far 0 70 0 - 8.9-9.6 HA ALA 22 - QG2 ILE 15 far 0 88 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 10122 from cnoeabs.peaks (4.03, 0.81, 17.32 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.98: HA GLU 16 + QG2 ILE 15 OK 97 97 100 100 3.0-3.4 8530=93, 3.0/660=69...(30) HB3 SER 59 + QG2 ILE 8 OK 22 69 40 78 4.8-6.9 6964/9396=48...(7) HA GLU 17 - QG2 ILE 15 far 0 90 0 - 6.5-6.9 HA LYS 20 - QG2 ILE 15 far 0 91 0 - 7.6-8.2 HB3 SER 59 - QG2 ILE 15 far 0 100 0 - 8.1-9.5 Violated in 0 structures by 0.00 A. Peak 10123 from cnoeabs.peaks (1.14, 0.81, 17.32 ppm; 2.91 A): 1 out of 6 assignments used, quality = 0.91: QG2 THR 31 + QG2 ILE 15 OK 91 100 100 91 1.6-1.8 8467/3.0=40, 8463/3.2=24...(21) QG2 THR 31 - QG2 ILE 8 far 0 70 0 - 5.0-6.3 QG2 THR 34 - QG2 ILE 8 far 0 35 0 - 5.1-6.0 HB2 LEU 29 - QG2 ILE 15 far 0 87 0 - 5.4-7.0 HG3 LYS 82 - QG2 ILE 8 far 0 70 0 - 6.6-8.7 QG2 THR 34 - QG2 ILE 15 far 0 59 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 10124 from cnoeabs.peaks (3.88, 0.88, 24.80 ppm; 5.21 A): 2 out of 15 assignments used, quality = 0.49: HB3 SER 49 + QD1 LEU 2 OK 30 91 35 94 2.4-7.5 3.0/9056=37, 3.9/9046=26...(14) HB2 SER 102 + QD1 LEU 103 OK 28 58 70 69 4.3-7.5 7646/4.7=52...(4) HA3 GLY 101 - QD1 LEU 103 poor 13 59 50 46 3.9-8.1 11029/4.7=28...(7) HA ALA 89 - QD1 LEU 103 poor 10 51 20 - 5.5-16.0 HA2 GLY 101 - QD1 LEU 103 poor 7 61 35 31 2.5-8.6 11029/4.7=15, ~10125=8...(5) HA2 GLY 100 - QD1 LEU 103 far 3 61 5 - 5.6-11.2 HA ARG 91 - QD1 LEU 103 far 0 62 0 - 6.7-15.5 HA LYS 94 - QD1 LEU 103 far 0 61 0 - 7.2-14.8 HA2 GLY 101 - QD1 LEU 2 far 0 98 0 - 7.6-11.2 HA3 GLY 101 - QD1 LEU 2 far 0 96 0 - 7.7-11.6 HA2 GLY 100 - QD1 LEU 2 far 0 98 0 - 7.8-9.6 HA ALA 71 - QD1 LEU 103 far 0 40 0 - 8.6-19.3 HA ALA 67 - QD1 LEU 103 far 0 50 0 - 9.0-20.7 HA GLU 43 - QD1 LEU 2 far 0 100 0 - 9.2-11.4 HB2 SER 85 - QD1 LEU 103 far 0 49 0 - 9.8-19.8 Violated in 13 structures by 0.48 A. Peak 10125 from cnoeabs.peaks (3.88, 0.81, 23.49 ppm; 6.34 A): 4 out of 15 assignments used, quality = 0.94: HB3 SER 49 + QD2 LEU 2 OK 77 84 100 92 4.3-7.8 ~9056=39, 10124/2.1=37...(11) HB2 SER 102 + QD2 LEU 103 OK 48 54 100 88 3.7-7.3 7646/4.7=70...(5) HA3 GLY 101 + QD2 LEU 103 OK 33 55 95 64 3.1-8.2 11029/4.7=42...(7) HA2 GLY 101 + QD2 LEU 103 OK 21 50 95 45 2.4-8.2 11029/4.7=23, ~10124=14...(5) HA LYS 94 - QD2 LEU 103 poor 10 50 20 - 6.8-13.4 HA ALA 89 - QD2 LEU 103 poor 10 49 20 - 6.3-16.9 HA3 GLY 101 - QD2 LEU 2 far 10 99 10 - 7.1-11.2 HA2 GLY 100 - QD2 LEU 2 lone 8 95 50 17 6.6-10.7 8031/8028=11...(3) HA2 GLY 101 - QD2 LEU 2 lone 4 95 25 17 6.5-12.1 8031/8028=11...(3) HA ARG 91 - QD2 LEU 103 far 3 57 5 - 7.1-15.1 HA2 GLY 100 - QD2 LEU 103 lone 1 50 45 4 5.2-10.6 10096/10128=1 HA ALA 71 - QD2 LEU 103 far 0 30 0 - 8.6-18.8 HA GLU 43 - QD2 LEU 2 far 0 100 0 - 9.2-12.3 HA ALA 67 - QD2 LEU 103 far 0 39 0 - 9.9-20.6 HB2 SER 102 - QD2 LEU 2 far 0 99 0 - 10.0-15.2 Violated in 0 structures by 0.00 A. Peak 10127 from cnoeabs.peaks (6.98, 0.88, 24.80 ppm; 6.28 A): 1 out of 5 assignments used, quality = 0.90: HD21 ASN 51 + QD1 LEU 2 OK 90 100 90 100 2.0-8.1 9119/2.1=95, 9120=94...(18) QE PHE 96 - QD1 LEU 103 poor 15 54 95 29 3.8-9.3 10128/2.1=11...(9) QE PHE 96 - QD1 LEU 2 poor 12 92 65 20 7.0-8.3 10128/2.1=13...(3) HE ARG 91 - QD1 LEU 103 far 0 55 0 - 8.5-18.8 HD21 ASN 51 - QD1 LEU 103 far 0 65 0 - 9.2-17.9 Violated in 6 structures by 0.38 A. Peak 10128 from cnoeabs.peaks (6.96, 0.81, 23.49 ppm; 5.51 A): 1 out of 4 assignments used, quality = 0.82: HD21 ASN 51 + QD2 LEU 2 OK 82 97 85 100 2.4-8.9 9119/2.1=79, 9120/2.1=78...(18) QE PHE 96 - QD2 LEU 2 poor 17 100 50 34 4.9-8.3 8038/8028=10, 8070/79=10...(6) QE PHE 96 - QD2 LEU 103 poor 14 56 90 27 2.4-9.0 10127/2.1=8...(11) HE ARG 91 - QD2 LEU 103 far 0 34 0 - 8.9-18.6 Violated in 9 structures by 0.42 A. Peak 10130 from cnoeabs.peaks (3.97, 1.34, 18.52 ppm; 3.40 A): 2 out of 2 assignments used, quality = 0.99: HB2 SER 97 + QB ALA 25 OK 93 95 100 98 2.0-3.2 10078=75, 1.8/10073=64...(14) HB3 SER 97 + QB ALA 25 OK 92 94 100 98 2.4-3.6 10073=74, 1.8/10078=63...(12) Violated in 0 structures by 0.00 A. Peak 10131 from cnoeabs.peaks (3.97, 4.41, 51.21 ppm; 5.37 A): 2 out of 2 assignments used, quality = 1.00: HB3 SER 97 + HA ALA 25 OK 98 98 100 100 4.4-5.8 10073/2.1=96, ~10078=84...(10) HB2 SER 97 + HA ALA 25 OK 89 90 100 100 4.5-6.1 10078/2.1=85, ~10073=84...(10) Violated in 0 structures by 0.00 A. Peak 10132 from cnoeabs.peaks (1.56, 0.73, 25.25 ppm; 3.27 A): 1 out of 14 assignments used, quality = 0.99: HB2 LEU 3 + QD2 LEU 27 OK 99 100 100 99 1.8-2.8 8108=64, 1.8/10133=60...(24) HB3 LEU 29 - QD2 LEU 27 far 0 61 0 - 6.4-7.8 HB3 GLU 28 - QD2 LEU 27 far 0 100 0 - 6.4-7.3 HG2 LYS 24 - QD2 LEU 27 far 0 81 0 - 7.0-9.2 HD3 LYS 53 - QD2 LEU 27 far 0 100 0 - 7.2-8.8 HG LEU 6 - QD2 LEU 27 far 0 71 0 - 8.2-10.8 HG3 ARG 79 - QD2 LEU 27 far 0 88 0 - 8.4-11.5 HG3 ARG 30 - QD2 LEU 27 far 0 81 0 - 8.4-10.1 HB3 LEU 103 - QD2 LEU 27 far 0 68 0 - 8.4-14.6 HG LEU 103 - QD2 LEU 27 far 0 87 0 - 8.4-14.7 HG2 ARG 79 - QD2 LEU 27 far 0 87 0 - 8.4-11.5 HG2 ARG 19 - QD2 LEU 27 far 0 82 0 - 9.0-11.8 HG12 ILE 56 - QD2 LEU 27 far 0 82 0 - 9.2-11.9 HB2 LEU 103 - QD2 LEU 27 far 0 82 0 - 9.7-13.9 Violated in 0 structures by 0.00 A. Peak 10133 from cnoeabs.peaks (1.14, 0.73, 25.25 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.99: HB3 LEU 3 + QD2 LEU 27 OK 99 100 100 100 1.8-3.3 1.8/10132=83...(21) HB2 LEU 29 - QD2 LEU 27 far 0 96 0 - 6.5-8.2 Violated in 0 structures by 0.00 A. Peak 10134 from cnoeabs.peaks (1.15, 0.77, 26.59 ppm; 4.25 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 3 + QD1 LEU 27 OK 100 100 100 100 3.1-4.2 10133/2.1=85, ~10132=65...(22) HB2 LEU 29 + QD1 LEU 27 OK 44 99 55 82 4.3-7.0 8191/10484=28...(12) QG2 THR 31 - QD1 LEU 27 far 0 99 0 - 9.1-10.0 HB2 LEU 6 - QD1 LEU 27 far 0 75 0 - 9.1-9.8 Violated in 0 structures by 0.00 A. Peak 10135 from cnoeabs.peaks (0.26, 0.77, 26.59 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + QD1 LEU 27 OK 100 100 100 100 3.7-4.8 10136/2.1=96...(23) Violated in 0 structures by 0.00 A. Peak 10136 from cnoeabs.peaks (0.26, 0.73, 25.25 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + QD2 LEU 27 OK 100 100 100 100 3.0-4.1 3.1/10132=68...(23) Violated in 1 structures by 0.01 A. Peak 10137 from cnoeabs.peaks (0.47, 0.77, 26.59 ppm; 4.42 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 3 + QD1 LEU 27 OK 100 100 100 100 2.8-4.2 2.1/10135=59...(28) QD1 LEU 55 + QD1 LEU 27 OK 34 77 70 62 5.3-6.4 9274/8644=25...(14) HG2 ARG 81 - QD1 LEU 27 far 0 61 0 - 9.6-12.2 Violated in 0 structures by 0.00 A. Peak 10138 from cnoeabs.peaks (3.10, 0.77, 26.59 ppm; 5.65 A): 2 out of 7 assignments used, quality = 1.00: HB2 PHE 96 + QD1 LEU 27 OK 100 100 100 100 3.1-4.2 2.4/8645=99, ~8647=76...(18) HB3 ASN 26 + QD1 LEU 27 OK 78 79 100 99 5.2-5.5 6436/4.7=56...(11) HD3 ARG 79 - QD1 LEU 27 far 4 90 5 - 7.0-12.0 HD2 ARG 79 - QD1 LEU 27 far 0 87 0 - 7.3-11.8 HB2 TRP 92 - QD1 LEU 27 far 0 100 0 - 7.3-8.3 HB3 HIS 105 - QD1 LEU 27 far 0 75 0 - 9.6-19.5 HD3 ARG 30 - QD1 LEU 27 far 0 98 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10139 from cnoeabs.peaks (3.08, 0.73, 25.25 ppm; 5.09 A): 2 out of 6 assignments used, quality = 1.00: HB3 ASN 26 + QD2 LEU 27 OK 96 99 100 98 2.9-4.1 6436/4.7=59, 8631/2.1=40...(11) HB2 PHE 96 + QD2 LEU 27 OK 91 91 100 100 4.3-5.5 2.4/8647=91, ~8645=67...(13) HD3 ARG 79 - QD2 LEU 27 far 0 100 0 - 6.9-12.5 HD2 ARG 79 - QD2 LEU 27 far 0 100 0 - 8.0-12.8 HB2 TRP 92 - QD2 LEU 27 far 0 88 0 - 9.3-10.6 HD3 ARG 30 - QD2 LEU 27 far 0 100 0 - 9.9-12.2 Violated in 0 structures by 0.00 A. Peak 10140 from cnoeabs.peaks (3.52, 0.77, 26.59 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.92: HA ILE 93 + QD1 LEU 27 OK 92 92 100 100 3.7-4.7 10004/8645=47...(26) Violated in 0 structures by 0.00 A. Peak 10141 from cnoeabs.peaks (1.55, 0.65, 26.64 ppm; 3.97 A): 4 out of 17 assignments used, quality = 0.99: HB ILE 7 + QD1 LEU 29 OK 84 85 100 98 1.9-3.4 ~10501=23, 247/2.1=22...(38) HG3 ARG 30 + QD1 LEU 29 OK 67 95 90 79 4.0-5.9 4.9/1310=34, 1.8/8720=19...(14) HG2 ARG 19 + QD1 LEU 29 OK 61 61 100 100 1.9-4.9 ~8673=51, 1.8/10499=44...(33) HG LEU 6 + QD1 LEU 29 OK 37 90 65 64 4.4-6.9 3.7/8687=32, 3.0/8672=14...(13) HG12 ILE 56 - QD1 LEU 29 far 0 96 0 - 5.7-9.8 HG3 LYS 90 - QD1 LEU 29 far 0 63 0 - 5.9-9.6 HB3 GLU 28 - QD1 LEU 29 far 0 96 0 - 6.1-7.3 HB2 LEU 14 - QD1 LEU 29 far 0 85 0 - 7.7-8.7 HB2 LEU 3 - QD1 LEU 29 far 0 100 0 - 8.1-10.8 HG2 ARG 79 - QD1 LEU 29 far 0 98 0 - 8.2-13.6 HG3 LYS 24 - QD1 LEU 29 far 0 59 0 - 8.6-12.0 HG LEU 103 - QD1 LEU 29 far 0 68 0 - 8.7-17.0 HG2 LYS 24 - QD1 LEU 29 far 0 59 0 - 8.8-12.0 HG3 ARG 79 - QD1 LEU 29 far 0 98 0 - 8.9-13.6 HB3 LEU 103 - QD1 LEU 29 far 0 87 0 - 9.3-15.5 HB2 LEU 103 - QD1 LEU 29 far 0 61 0 - 9.7-15.5 HG2 LYS 33 - QD1 LEU 29 far 0 100 0 - 10.0-12.2 Violated in 0 structures by 0.00 A. Peak 10142 from cnoeabs.peaks (3.26, 1.14, 22.10 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: HA ILE 15 + QG2 THR 31 OK 100 100 100 100 3.5-4.0 8455=99, 3.2/10123=98...(18) Violated in 0 structures by 0.00 A. Peak 10143 from cnoeabs.peaks (3.16, 1.14, 22.10 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 19 + QG2 THR 31 OK 95 96 100 99 3.7-5.3 3.6/8734=94...(8) HD3 ARG 19 + QG2 THR 31 OK 95 96 100 99 3.0-5.7 3.6/8734=94...(8) Violated in 0 structures by 0.00 A. Peak 10144 from cnoeabs.peaks (2.11, 4.41, 60.95 ppm; 4.25 A): 3 out of 4 assignments used, quality = 1.00: HG3 GLU 37 + HA VAL 32 OK 100 100 100 100 3.5-5.3 8827=61, 8849/3.2=59...(27) HB3 GLU 37 + HA VAL 32 OK 93 93 100 100 2.8-5.3 1.8/8823=64, 8839/3.2=57...(24) HB3 LEU 38 + HA VAL 32 OK 30 70 45 97 4.7-7.8 10155/3.2=31, ~10162=30...(25) HB3 GLU 35 - HA VAL 32 far 0 84 0 - 9.5-9.8 Violated in 1 structures by 0.00 A. Peak 10145 from cnoeabs.peaks (1.50, 4.41, 60.95 ppm; 4.50 A): 1 out of 8 assignments used, quality = 0.99: HG3 LYS 33 + HA VAL 32 OK 99 100 100 99 3.0-3.3 6523/6515=80...(18) HG LEU 6 - HA VAL 32 far 5 91 5 - 5.2-8.5 HB ILE 7 - HA VAL 32 far 0 94 0 - 7.6-8.8 HG12 ILE 56 - HA VAL 32 far 0 82 0 - 8.1-11.7 HG3 ARG 30 - HA VAL 32 far 0 84 0 - 8.2-8.9 HD3 LYS 40 - HA VAL 32 far 0 59 0 - 8.7-10.1 HG2 LYS 66 - HA VAL 32 far 0 98 0 - 9.1-12.8 HG3 LYS 66 - HA VAL 32 far 0 99 0 - 9.2-11.6 Violated in 0 structures by 0.00 A. Peak 10149 from cnoeabs.peaks (7.24, 4.41, 60.95 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: H THR 34 + HA VAL 32 OK 100 100 100 100 3.7-4.2 8764=93, 6530/6515=88...(16) Violated in 0 structures by 0.00 A. Peak 10150 from cnoeabs.peaks (6.84, 4.41, 60.95 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HA VAL 32 OK 99 99 100 100 4.1-5.2 2.2/8896=59...(26) QE TYR 41 + HA VAL 32 OK 95 95 100 100 1.9-4.4 8896=66, 8910/3.2=64...(21) Violated in 0 structures by 0.00 A. Peak 10152 from cnoeabs.peaks (6.83, 0.83, 22.02 ppm; 3.29 A): 2 out of 3 assignments used, quality = 1.00: QD TYR 41 + QG2 VAL 32 OK 97 100 100 97 2.4-3.5 2.2/8910=51, 8939/2.1=28...(29) QE TYR 41 + QG2 VAL 32 OK 87 91 100 96 1.9-4.1 8910=56, 8896/3.2=25...(25) HD21 ASN 60 - QG2 VAL 32 far 0 61 0 - 8.4-10.5 Violated in 1 structures by 0.00 A. Peak 10153 from cnoeabs.peaks (7.80, 1.94, 34.49 ppm; 5.66 A): 1 out of 7 assignments used, quality = 0.99: H SER 9 + HB VAL 32 OK 99 99 100 100 5.0-6.5 8346/6509=82...(9) H SER 9 - HB2 LYS 33 poor 17 68 25 - 6.5-8.0 H TYR 41 - HB VAL 32 far 5 91 5 - 7.1-8.4 H SER 9 - HB3 LYS 33 far 0 64 0 - 7.9-9.1 H LYS 66 - HB VAL 32 far 0 100 0 - 8.4-9.8 HE ARG 30 - HB VAL 32 far 0 98 0 - 8.6-11.2 H TYR 41 - HB3 LYS 33 far 0 54 0 - 9.9-10.9 Violated in 16 structures by 0.27 A. Peak 10154 from cnoeabs.peaks (5.47, 0.83, 22.02 ppm; 4.44 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 6 + QG2 VAL 32 OK 99 100 100 99 3.7-4.4 3.0/10160=73...(19) Violated in 0 structures by 0.00 A. Peak 10155 from cnoeabs.peaks (2.10, 0.83, 22.02 ppm; 4.20 A): 2 out of 11 assignments used, quality = 0.96: HB3 LEU 38 + QG2 VAL 32 OK 86 87 100 99 2.3-5.2 3.0/10162=70, ~8944=33...(21) HB3 GLU 37 + QG2 VAL 32 OK 75 79 95 100 3.6-6.2 ~8836=56, 8839/2.1=55...(27) HG3 GLU 37 - QG2 VAL 32 poor 20 98 20 - 4.1-6.3 HB3 GLU 35 - QG2 VAL 32 far 0 96 0 - 7.5-8.4 HG2 GLU 44 - QG2 VAL 32 far 0 61 0 - 8.0-10.5 HB2 LEU 64 - QG2 VAL 32 far 0 96 0 - 8.5-10.2 HB3 GLU 43 - QG2 VAL 32 far 0 73 0 - 8.9-10.8 HB2 GLU 69 - QG2 VAL 32 far 0 77 0 - 9.7-10.9 HB3 GLU 69 - QG2 VAL 32 far 0 77 0 - 9.7-12.3 HB2 MET 74 - QG2 VAL 32 far 0 70 0 - 10.0-11.5 HB3 GLU 62 - QG2 VAL 32 far 0 99 0 - 10.0-12.0 Violated in 6 structures by 0.09 A. Peak 10156 from cnoeabs.peaks (2.09, 0.91, 23.40 ppm; 3.31 A): 3 out of 10 assignments used, quality = 1.00: HG3 GLU 37 + QG1 VAL 32 OK 94 95 100 100 1.9-3.9 8849=44, 3.0/8836=43...(31) HB3 LEU 38 + QG1 VAL 32 OK 90 92 100 98 1.8-4.2 3.8/8932=40, 1.8/8944=38...(29) HB3 GLU 37 + QG1 VAL 32 OK 71 71 100 100 1.7-4.0 1.8/8836=57, 3.0/8849=37...(27) HB3 GLU 35 - QG1 VAL 32 far 0 98 0 - 5.6-6.3 HB3 GLU 43 - QG1 VAL 32 far 0 81 0 - 8.3-10.6 HB2 GLU 69 - QG1 VAL 32 far 0 70 0 - 8.7-10.2 HB3 GLU 62 - QG1 VAL 32 far 0 100 0 - 8.9-11.5 HB3 GLU 69 - QG1 VAL 32 far 0 70 0 - 8.9-11.6 HB2 LEU 64 - QG1 VAL 32 far 0 92 0 - 8.9-10.9 HG2 GLU 69 - QG1 VAL 32 far 0 70 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 10157 from cnoeabs.peaks (2.26, 0.91, 23.40 ppm; 4.49 A): 1 out of 5 assignments used, quality = 1.00: HG2 GLU 37 + QG1 VAL 32 OK 100 100 100 100 1.9-4.3 1.8/8849=84, 3.0/8836=75...(31) HG2 GLU 63 - QG1 VAL 32 far 0 68 0 - 6.8-9.1 HG2 GLU 62 - QG1 VAL 32 far 0 100 0 - 7.0-10.5 HG3 GLU 62 - QG1 VAL 32 far 0 100 0 - 7.3-9.5 HB2 TYR 4 - QG1 VAL 32 far 0 75 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10158 from cnoeabs.peaks (2.09, 1.94, 34.49 ppm; 4.06 A): 3 out of 13 assignments used, quality = 0.79: HB3 LEU 38 + HB VAL 32 OK 43 96 45 99 3.5-6.8 ~10162=38, 10155/2.1=36...(27) HG3 GLU 37 + HB3 LYS 33 OK 41 53 100 77 3.4-5.0 8814/4.4=33, 8816/4.1=33...(13) HB3 GLU 37 + HB VAL 32 OK 37 61 60 100 4.1-7.0 ~8836=52, 8839/2.1=37...(26) HB3 GLU 37 - HB3 LYS 33 poor 18 33 55 - 4.4-6.2 HG3 GLU 37 - HB VAL 32 poor 18 90 20 - 4.6-6.8 HG3 GLU 37 - HB2 LYS 33 poor 17 57 30 - 5.0-6.6 HB3 GLU 37 - HB2 LYS 33 far 0 36 0 - 5.7-7.3 HB3 LEU 38 - HB3 LYS 33 far 0 60 0 - 7.2-10.2 HB3 GLU 35 - HB VAL 32 far 0 100 0 - 7.7-9.3 HB3 LEU 38 - HB2 LYS 33 far 0 64 0 - 8.2-11.2 HB3 GLU 35 - HB3 LYS 33 far 0 64 0 - 8.8-9.9 HB2 LEU 64 - HB VAL 32 far 0 85 0 - 9.7-11.2 HB3 GLU 35 - HB2 LYS 33 far 0 69 0 - 9.8-11.1 Violated in 6 structures by 0.09 A. Peak 10159 from cnoeabs.peaks (1.52, 0.83, 22.02 ppm; 3.77 A): 4 out of 12 assignments used, quality = 0.99: HG LEU 6 + QG2 VAL 32 OK 94 100 100 94 2.5-4.8 3.0/10160=56...(14) HG3 LYS 33 + QG2 VAL 32 OK 52 97 60 90 5.0-5.4 6523/4.1=43...(14) HB ILE 7 + QG2 VAL 32 OK 50 100 70 72 4.8-5.7 8253/10154=23...(14) HG12 ILE 56 + QG2 VAL 32 OK 29 98 50 60 4.1-7.1 3.2/10674=23...(8) HG3 ARG 30 - QG2 VAL 32 far 0 98 0 - 6.0-6.7 HG2 LYS 33 - QG2 VAL 32 far 0 77 0 - 6.4-6.7 HG3 LYS 66 - QG2 VAL 32 far 0 85 0 - 7.1-9.2 HG2 LYS 66 - QG2 VAL 32 far 0 82 0 - 7.2-10.0 HB3 LEU 64 - QG2 VAL 32 far 0 81 0 - 7.8-9.6 HG LEU 57 - QG2 VAL 32 far 0 95 0 - 8.1-9.1 HG LEU 64 - QG2 VAL 32 far 0 61 0 - 9.1-10.7 HG2 ARG 79 - QG2 VAL 32 far 0 96 0 - 9.8-12.8 Violated in 11 structures by 0.07 A. Peak 10160 from cnoeabs.peaks (1.66, 0.83, 22.02 ppm; 3.86 A): 1 out of 8 assignments used, quality = 0.97: HB3 LEU 6 + QG2 VAL 32 OK 97 99 100 98 3.3-4.4 1.8/10337=58, 10231=55...(18) HB3 LYS 40 - QG2 VAL 32 far 0 85 0 - 5.9-7.0 HG12 ILE 15 - QG2 VAL 32 far 0 68 0 - 6.7-7.6 HB2 LYS 40 - QG2 VAL 32 far 0 98 0 - 6.9-7.9 HD3 LYS 39 - QG2 VAL 32 far 0 95 0 - 8.3-10.0 HD2 LYS 39 - QG2 VAL 32 far 0 100 0 - 8.3-9.7 HG2 LYS 68 - QG2 VAL 32 far 0 96 0 - 9.1-11.7 HB ILE 76 - QG2 VAL 32 far 0 97 0 - 9.8-10.3 Violated in 7 structures by 0.13 A. Peak 10161 from cnoeabs.peaks (2.63, 0.83, 22.02 ppm; 5.69 A): 2 out of 3 assignments used, quality = 1.00: HB3 TYR 41 + QG2 VAL 32 OK 100 100 100 100 3.9-5.4 1890/10162=80...(14) HB VAL 58 + QG2 VAL 32 OK 32 68 95 50 6.0-7.5 ~10518=35, 10166/2.1=10...(5) HG3 MET 74 - QG2 VAL 32 far 0 99 0 - 8.2-10.4 Violated in 0 structures by 0.00 A. Peak 10162 from cnoeabs.peaks (3.87, 0.83, 22.02 ppm; 3.73 A): 1 out of 9 assignments used, quality = 0.98: HA LEU 38 + QG2 VAL 32 OK 98 100 100 98 2.2-3.5 8934/2.1=43, ~8932=34...(22) HA ALA 67 - QG2 VAL 32 far 5 91 5 - 5.1-6.7 HA GLU 35 - QG2 VAL 32 far 0 98 0 - 5.8-6.2 HA GLU 63 - QG2 VAL 32 far 0 59 0 - 6.0-7.6 HA LYS 40 - QG2 VAL 32 far 0 99 0 - 7.5-8.6 HA ALA 71 - QG2 VAL 32 far 0 79 0 - 8.3-9.5 HA LYS 12 - QG2 VAL 32 far 0 92 0 - 9.6-10.3 HA ALA 89 - QG2 VAL 32 far 0 84 0 - 9.6-10.6 HA GLU 43 - QG2 VAL 32 far 0 99 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10163 from cnoeabs.peaks (4.60, 0.83, 22.02 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.96: HA ILE 8 + QG2 VAL 32 OK 96 99 100 97 3.3-4.4 10147/4.0=52...(12) HB THR 34 - QG2 VAL 32 far 0 100 0 - 7.8-8.2 Violated in 0 structures by 0.00 A. Peak 10165 from cnoeabs.peaks (4.89, 0.83, 22.02 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.99: HA THR 31 + QG2 VAL 32 OK 94 100 100 94 2.9-3.4 6505/4.0=66...(14) HA ILE 56 + QG2 VAL 32 OK 75 100 95 80 4.5-5.8 8223/10160=32...(10) HA ARG 30 + QG2 VAL 32 OK 50 87 85 68 5.3-5.9 3.0/10335=23...(9) Violated in 0 structures by 0.00 A. Peak 10166 from cnoeabs.peaks (2.64, 0.91, 23.40 ppm; 6.04 A): 3 out of 5 assignments used, quality = 1.00: HB3 TYR 41 + QG1 VAL 32 OK 100 100 100 100 4.6-6.3 2.5/14619=79...(17) HD2 ARG 30 + QG1 VAL 32 OK 22 65 50 67 6.4-8.9 3.6/8945=30...(5) HB VAL 58 + QG1 VAL 32 OK 20 59 55 63 6.6-8.3 ~10518=38, 10161/2.1=21...(7) HG3 MET 74 - QG1 VAL 32 far 0 97 0 - 8.2-10.6 HB3 ASP 65 - QG1 VAL 32 far 0 100 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 10167 from cnoeabs.peaks (0.82, 3.89, 59.23 ppm; 3.59 A): 5 out of 23 assignments used, quality = 1.00: QD2 LEU 38 + HA GLU 35 OK 94 100 100 94 1.9-4.7 4.5/12057=33...(31) QD1 LEU 70 + HA GLU 35 OK 88 99 100 88 1.9-4.2 2.1/9541=22, 9540=18...(33) QD2 LEU 70 + HA GLU 35 OK 80 95 100 85 2.7-5.0 9541=26, 2.1/9540=14...(31) QD1 ILE 76 + HA GLU 43 OK 75 82 100 91 2.3-3.4 2.1/4045=22...(25) QD1 LEU 38 + HA GLU 35 OK 59 65 100 91 3.0-4.8 4.5/12057=33...(28) QD1 ILE 76 - HA LYS 40 far 0 47 0 - 5.4-6.7 QG2 ILE 8 - HA GLU 35 far 0 61 0 - 5.5-6.5 QG2 VAL 32 - HA GLU 35 far 0 100 0 - 5.8-6.2 QD2 LEU 70 - HA LYS 40 far 0 54 0 - 6.0-9.0 QD1 LEU 70 - HA LYS 40 far 0 59 0 - 6.0-7.9 QD1 LEU 38 - HA LYS 40 far 0 33 0 - 6.1-8.3 QD1 LEU 57 - HA ARG 91 far 0 99 0 - 6.9-8.1 QD2 LEU 38 - HA LYS 40 far 0 61 0 - 7.0-8.5 QD2 LEU 103 - HA ARG 91 far 0 100 0 - 7.1-15.1 QD1 LEU 38 - HA GLU 43 far 0 61 0 - 7.2-10.2 QG2 VAL 32 - HA LYS 40 far 0 60 0 - 7.5-8.6 QD1 LEU 70 - HA GLU 43 far 0 96 0 - 7.7-9.3 QD2 LEU 57 - HA ARG 91 far 0 77 0 - 7.8-8.4 QD2 LEU 70 - HA GLU 43 far 0 91 0 - 7.9-10.1 QD2 LEU 38 - HA GLU 43 far 0 98 0 - 8.3-10.8 QD1 ILE 76 - HA GLU 35 far 0 87 0 - 8.9-10.5 QD2 LEU 2 - HA GLU 43 far 0 92 0 - 9.2-12.3 QG2 VAL 32 - HA GLU 43 far 0 97 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10168 from cnoeabs.peaks (0.87, 3.89, 59.23 ppm; 3.88 A): 3 out of 11 assignments used, quality = 0.98: QD1 LEU 38 + HA GLU 35 OK 94 99 100 95 3.0-4.8 4.5/12057=39, 1659=30...(28) QG2 ILE 76 + HA GLU 43 OK 46 95 55 87 4.2-5.8 3.2/4045=21...(25) QG1 VAL 32 + HA GLU 35 OK 43 65 100 66 3.8-4.3 8932/12057=39, 8934=14...(11) HG13 ILE 8 - HA GLU 35 far 0 96 0 - 5.9-8.4 QD1 LEU 38 - HA LYS 40 far 0 58 0 - 6.1-8.3 QD1 LEU 103 - HA ARG 91 far 0 99 0 - 6.7-15.5 QG1 VAL 32 - HA LYS 40 far 0 33 0 - 6.8-7.6 QD1 LEU 38 - HA GLU 43 far 0 95 0 - 7.2-10.2 QG2 ILE 76 - HA LYS 40 far 0 58 0 - 7.6-9.1 QD1 LEU 2 - HA GLU 43 far 0 95 0 - 9.2-11.4 QG1 VAL 32 - HA GLU 43 far 0 61 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 10169 from cnoeabs.peaks (8.35, 6.43, 132.25 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: H TYR 4 + QD TYR 4 OK 99 99 100 100 2.7-3.6 4.5=100 Violated in 0 structures by 0.00 A. Peak 10170 from cnoeabs.peaks (3.87, 3.31, 43.64 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.99: HA GLU 43 + HD2 ARG 46 OK 99 99 100 100 3.3-4.2 10171/1.8=82, 12084=65...(23) HB3 SER 49 + HD2 ARG 46 OK 31 95 40 82 5.7-10.5 10173/3.0=26...(11) HA ALA 71 - HD2 ARG 46 far 4 81 5 - 5.7-7.5 HA LYS 40 - HD2 ARG 46 far 0 99 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 10171 from cnoeabs.peaks (3.87, 3.19, 43.64 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.99: HA GLU 43 + HD3 ARG 46 OK 99 99 100 100 1.9-3.5 12084/1.8=56, 12085=51...(20) HA ALA 71 - HD3 ARG 46 far 0 81 0 - 5.9-7.6 HA LYS 40 - HD3 ARG 46 far 0 99 0 - 6.3-8.4 HB3 SER 49 - HD3 ARG 46 far 0 95 0 - 6.6-10.9 HA LEU 38 - HD3 ARG 46 far 0 100 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 10172 from cnoeabs.peaks (3.88, 1.82, 26.76 ppm; 4.48 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 43 + HG2 ARG 46 OK 99 100 100 99 1.9-4.1 10171/3.0=66...(23) HB3 SER 49 + HG2 ARG 46 OK 54 90 80 76 4.9-9.1 2270/4.1=21, ~9062=18...(10) HA ALA 71 - HG2 ARG 46 far 0 71 0 - 6.5-9.1 HA LYS 40 - HG2 ARG 46 far 0 97 0 - 6.7-9.1 Violated in 0 structures by 0.00 A. Peak 10173 from cnoeabs.peaks (3.86, 1.79, 26.76 ppm; 4.37 A): 2 out of 4 assignments used, quality = 0.97: HA GLU 43 + HG3 ARG 46 OK 93 94 100 99 2.3-4.4 10171/3.0=62...(21) HB3 SER 49 + HG3 ARG 46 OK 64 99 80 80 4.0-9.0 2270/4.1=23, ~9062=17...(12) HA ALA 71 - HG3 ARG 46 far 0 93 0 - 6.5-9.2 HA LYS 40 - HG3 ARG 46 far 0 100 0 - 7.4-9.7 Violated in 0 structures by 0.00 A. Peak 10174 from cnoeabs.peaks (3.88, 4.07, 58.19 ppm; 3.77 A): 4 out of 10 assignments used, quality = 1.00: HA GLU 43 + HA ARG 46 OK 95 100 100 95 4.6-5.3 10171/2114=34...(18) HB3 SER 49 + HA ARG 46 OK 66 90 80 92 2.0-6.3 2270=26, 3.9/12313=24...(17) HA ALA 67 + HA LYS 66 OK 66 68 100 97 4.7-4.8 7121/7119=38...(19) HA GLU 63 + HA LYS 66 OK 30 52 65 89 4.9-5.6 10240=40, 7061/3.0=38...(12) HA GLU 35 - HA LYS 66 far 4 85 5 - 5.0-6.5 HA ALA 71 - HA ARG 46 far 0 71 0 - 7.3-9.5 HA LEU 38 - HA LYS 66 far 0 86 0 - 8.3-10.6 HA LYS 94 - HA LYS 24 far 0 60 0 - 8.6-9.8 HA ALA 71 - HA LYS 66 far 0 55 0 - 8.8-10.1 HA LYS 40 - HA ARG 46 far 0 97 0 - 9.6-10.3 Violated in 4 structures by 0.06 A. Peak 10175 from cnoeabs.peaks (2.18, 3.31, 43.64 ppm; 5.29 A): 2 out of 6 assignments used, quality = 0.96: HG2 GLU 43 + HD2 ARG 46 OK 95 98 100 97 5.0-6.4 11072/1.8=75...(12) HG3 GLU 75 + HD2 ARG 46 OK 21 100 65 32 4.0-7.4 10865/12326=25, ~11072=4 HG2 GLU 75 - HD2 ARG 46 far 15 100 15 - 5.2-8.6 HB3 GLU 75 - HD2 ARG 46 lone 3 98 50 7 5.7-7.5 ~11072=5 HB3 GLN 50 - HD2 ARG 46 far 0 100 0 - 7.2-13.5 HB2 GLN 72 - HD2 ARG 46 far 0 98 0 - 9.5-11.4 Violated in 16 structures by 0.33 A. Peak 10176 from cnoeabs.peaks (1.09, 1.79, 26.76 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: HG12 ILE 76 + HG3 ARG 46 OK 100 100 100 100 2.4-5.9 2.1/9021=96...(34) Violated in 7 structures by 0.09 A. Peak 10177 from cnoeabs.peaks (1.46, 1.79, 26.76 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.92: HG13 ILE 76 + HG3 ARG 46 OK 92 92 100 100 1.9-4.6 2.1/9021=82...(32) HG2 LYS 47 - HG3 ARG 46 poor 20 68 55 54 3.9-8.5 4.9/6766=28, ~9015=11...(10) HG13 ILE 52 - HG3 ARG 46 far 10 100 10 - 5.8-10.8 HG3 LYS 39 - HG3 ARG 46 far 0 96 0 - 8.0-12.1 HG2 LYS 73 - HG3 ARG 46 far 0 65 0 - 9.9-13.3 Violated in 1 structures by 0.00 A. Peak 10178 from cnoeabs.peaks (1.47, 1.82, 26.76 ppm; 4.89 A): 2 out of 7 assignments used, quality = 0.88: HG13 ILE 76 + HG2 ARG 46 OK 79 79 100 100 1.9-5.0 2.1/9023=87, ~9021=67...(31) HG2 LYS 47 + HG2 ARG 46 OK 44 84 85 62 2.5-8.4 6772/6765=35, ~9015=13...(11) HG13 ILE 52 - HG2 ARG 46 far 5 99 5 - 4.3-10.5 HG3 LYS 39 - HG2 ARG 46 far 0 87 0 - 7.1-12.3 HD3 LYS 40 - HG2 ARG 46 far 0 100 0 - 8.7-13.0 HG2 LYS 53 - HG2 ARG 46 far 0 100 0 - 9.0-16.1 HD2 LYS 40 - HG2 ARG 46 far 0 100 0 - 9.5-12.3 Violated in 0 structures by 0.00 A. Peak 10179 from cnoeabs.peaks (1.45, 1.97, 29.74 ppm; 4.99 A): 2 out of 11 assignments used, quality = 0.99: HG13 ILE 76 + HB2 ARG 46 OK 96 96 100 100 1.8-4.9 10177/3.0=61, ~9639=56...(38) HG13 ILE 76 + HB3 ARG 46 OK 85 85 100 100 1.9-4.5 10177/3.0=61, ~9639=56...(37) HG13 ILE 52 - HB2 ARG 46 far 15 100 15 - 5.5-10.1 HG13 ILE 52 - HB3 ARG 46 far 14 91 15 - 5.0-10.3 HG3 LYS 39 - HB3 ARG 46 far 0 89 0 - 7.6-11.8 HG3 LYS 39 - HB2 ARG 46 far 0 99 0 - 8.1-13.1 HG2 LYS 53 - HB3 ARG 46 far 0 88 0 - 8.9-14.4 HD3 LYS 40 - HB2 ARG 46 far 0 97 0 - 9.0-13.5 HD3 LYS 40 - HB3 ARG 46 far 0 86 0 - 9.3-13.6 HG2 LYS 53 - HB2 ARG 46 far 0 98 0 - 9.5-14.4 HD2 LYS 53 - HB3 ARG 46 far 0 90 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 10180 from cnoeabs.peaks (1.45, 1.96, 29.74 ppm; 4.94 A): 2 out of 11 assignments used, quality = 0.99: HG13 ILE 76 + HB3 ARG 46 OK 96 96 100 100 1.9-4.5 10177/3.0=60, ~9639=55...(37) HG13 ILE 76 + HB2 ARG 46 OK 85 85 100 100 1.8-4.9 10177/3.0=60, ~9639=55...(38) HG13 ILE 52 - HB3 ARG 46 far 15 100 15 - 5.0-10.3 HG13 ILE 52 - HB2 ARG 46 far 14 91 15 - 5.5-10.1 HG3 LYS 39 - HB3 ARG 46 far 0 99 0 - 7.6-11.8 HG3 LYS 39 - HB2 ARG 46 far 0 89 0 - 8.1-13.1 HG2 LYS 53 - HB3 ARG 46 far 0 98 0 - 8.9-14.4 HD3 LYS 40 - HB2 ARG 46 far 0 86 0 - 9.0-13.5 HD3 LYS 40 - HB3 ARG 46 far 0 97 0 - 9.3-13.6 HG2 LYS 53 - HB2 ARG 46 far 0 88 0 - 9.5-14.4 HD2 LYS 53 - HB3 ARG 46 far 0 99 0 - 9.7-14.3 Violated in 0 structures by 0.00 A. Peak 10181 from cnoeabs.peaks (4.52, 2.43, 35.74 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.97: HA PHE 45 + HG3 GLU 48 OK 91 100 95 96 1.9-5.9 10190/6794=46...(14) HA PHE 96 + HG3 GLU 99 OK 63 75 95 88 2.0-6.1 11025/1.8=45...(8) Violated in 2 structures by 0.00 A. Peak 10182 from cnoeabs.peaks (4.53, 2.33, 35.74 ppm; 4.88 A): 2 out of 3 assignments used, quality = 0.98: HA PHE 45 + HG2 GLU 48 OK 97 99 100 98 2.8-4.5 10620/3.0=60...(13) HA PHE 45 + HG3 GLU 44 OK 52 79 70 94 3.8-6.7 ~2023=51, ~6726=26...(12) HA ASP 77 - HG2 GLU 48 far 0 61 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 10183 from cnoeabs.peaks (1.48, 2.43, 35.74 ppm; 4.43 A): 2 out of 15 assignments used, quality = 0.72: HG13 ILE 52 + HG3 GLU 48 OK 54 90 60 100 3.5-6.7 2.1/9044=65, ~9177=43...(28) HG LEU 2 + HG3 GLU 48 OK 40 65 65 95 4.0-6.8 2.1/9042=54, ~9038=35...(19) HG2 LYS 20 - HG3 GLU 17 poor 16 70 35 67 5.1-7.1 10434/3.0=25, 883/3.9=18...(10) HG2 LYS 47 - HG3 GLU 48 far 15 98 15 - 5.6-9.0 HG3 LYS 53 - HG3 GLU 99 far 8 76 10 - 5.2-11.7 HG3 LYS 13 - HG3 GLU 17 far 7 74 10 - 4.7-7.1 HD2 LYS 53 - HG3 GLU 99 far 3 68 5 - 5.7-13.0 HG2 LYS 53 - HG3 GLU 99 far 0 72 0 - 6.9-13.0 HG2 LYS 12 - HG3 GLU 17 far 0 52 0 - 7.1-10.2 HG3 ARG 91 - HG3 GLU 17 far 0 63 0 - 7.3-10.5 HG2 LYS 53 - HG3 GLU 48 far 0 96 0 - 8.5-11.8 HB2 ARG 91 - HG3 GLU 17 far 0 83 0 - 9.1-12.3 HG LEU 57 - HG3 GLU 17 far 0 70 0 - 9.4-11.7 HD2 LYS 53 - HG3 GLU 48 far 0 92 0 - 9.7-12.8 HG3 LYS 53 - HG3 GLU 48 far 0 99 0 - 9.8-12.2 Violated in 13 structures by 0.47 A. Peak 10184 from cnoeabs.peaks (1.71, 2.43, 35.74 ppm; 4.18 A): 6 out of 17 assignments used, quality = 0.89: HD2 LYS 90 + HG3 GLU 17 OK 41 65 65 97 4.2-6.9 ~12027=26, ~11024=19...(50) HG2 PRO 86 + HG3 GLU 17 OK 37 70 70 77 3.6-6.2 2.3/12333=31...(16) HB2 LEU 2 + HG3 GLU 48 OK 32 98 35 93 4.2-8.1 3.1/9042=40...(16) HD3 LYS 90 + HG3 GLU 17 OK 29 74 40 96 3.8-7.6 ~12027=26, 10433/3.0=21...(46) HD2 LYS 13 + HG3 GLU 17 OK 23 78 55 53 4.0-7.8 3.6/760=12, 5.5/3186=11...(14) HD2 LYS 20 + HG3 GLU 17 OK 22 47 80 58 3.9-6.8 ~10434=11, 10436/1.8=10...(13) HD3 LYS 47 - HG3 GLU 48 poor 18 71 25 - 5.4-9.6 HD3 LYS 13 - HG3 GLU 17 poor 17 80 40 53 3.9-8.5 3.6/760=12, 5.5/3186=11...(13) HB3 LYS 53 - HG3 GLU 99 far 0 56 0 - 5.9-12.1 HB ILE 15 - HG3 GLU 17 far 0 77 0 - 6.6-7.6 HD2 LYS 47 - HG3 GLU 48 far 0 70 0 - 6.9-10.7 HD2 LYS 12 - HG3 GLU 17 far 0 78 0 - 7.3-10.8 HD3 LYS 12 - HG3 GLU 17 far 0 78 0 - 7.3-11.6 HG12 ILE 15 - HG3 GLU 17 far 0 71 0 - 7.4-8.4 HB2 GLU 28 - HG3 GLU 48 far 0 81 0 - 7.9-11.5 HB3 ARG 91 - HG3 GLU 99 far 0 51 0 - 9.4-13.4 HB3 LYS 53 - HG3 GLU 48 far 0 79 0 - 9.7-11.6 Violated in 2 structures by 0.02 A. Peak 10185 from cnoeabs.peaks (1.36, 2.35, 35.75 ppm; 5.37 A): 3 out of 11 assignments used, quality = 0.94: HG3 LYS 68 + HG3 GLU 69 OK 74 80 100 93 3.0-6.4 10792/3092=39...(12) HG3 LYS 40 + HG3 GLU 44 OK 62 100 85 73 3.9-7.8 1.8/10580=24...(8) QB ALA 67 + HG3 GLU 69 OK 39 64 95 64 6.4-8.1 7127/7136=26...(7) HB3 LEU 2 - HG2 GLU 48 poor 16 54 30 - 5.5-9.9 HB2 LEU 70 - HG3 GLU 69 far 13 87 15 - 6.6-7.4 HG LEU 14 - HG2 GLU 16 far 0 67 0 - 7.1-8.8 HB3 ARG 30 - HG3 GLU 44 far 0 100 0 - 7.6-11.5 QB ALA 89 - HG2 GLU 16 far 0 54 0 - 7.8-8.9 HG2 LYS 39 - HG3 GLU 44 far 0 92 0 - 7.8-12.6 HB3 LEU 2 - HG3 GLU 44 far 0 73 0 - 9.9-14.8 HG2 LYS 39 - HG3 GLU 69 far 0 75 0 - 9.9-13.3 Violated in 2 structures by 0.02 A. Peak 10186 from cnoeabs.peaks (1.47, 2.35, 35.75 ppm; 4.57 A): 3 out of 26 assignments used, quality = 0.65: HG2 LYS 47 + HG2 GLU 48 OK 34 63 75 71 4.9-8.5 6784/4.9=35...(9) HG13 ILE 52 + HG2 GLU 48 OK 28 81 35 100 2.3-8.2 ~9044=49, ~9177=46...(28) HG2 LYS 47 + HG3 GLU 44 OK 27 84 40 82 4.4-10.1 12088/4.0=42...(13) HD2 LYS 40 - HG3 GLU 44 far 15 100 15 - 3.9-9.7 HG2 LYS 12 - HG2 GLU 16 poor 11 62 60 29 4.0-9.7 8473/6239=11...(6) HD3 LYS 40 - HG3 GLU 44 far 10 100 10 - 2.4-9.9 HG2 LYS 20 - HG2 GLU 16 far 7 71 10 - 3.9-7.5 HG2 LYS 66 - HG3 GLU 69 far 3 67 5 - 5.7-8.9 HG2 LYS 73 - HG3 GLU 69 far 3 66 5 - 4.4-7.7 HG13 ILE 76 - HG2 GLU 48 far 3 58 5 - 5.9-10.0 HG2 LYS 13 - HG2 GLU 16 far 0 42 0 - 6.4-7.9 HG LEU 64 - HG3 GLU 69 far 0 81 0 - 6.4-10.0 HG3 LYS 66 - HG3 GLU 69 far 0 64 0 - 7.1-8.6 HG3 LYS 13 - HG2 GLU 16 far 0 46 0 - 7.2-8.5 HG LEU 29 - HG2 GLU 16 far 0 49 0 - 7.6-9.9 HG2 LYS 53 - HG2 GLU 48 far 0 83 0 - 7.9-13.5 HG13 ILE 76 - HG3 GLU 44 far 0 79 0 - 8.0-11.0 HG13 ILE 52 - HG3 GLU 44 far 0 99 0 - 8.0-12.6 HG LEU 38 - HG3 GLU 69 far 0 86 0 - 8.3-11.7 HG3 LYS 39 - HG3 GLU 44 far 0 87 0 - 8.7-12.7 HG3 LYS 53 - HG2 GLU 48 far 0 83 0 - 8.8-13.9 QB ALA 22 - HG2 GLU 16 far 0 49 0 - 8.9-10.8 HB3 LEU 64 - HG3 GLU 69 far 0 69 0 - 9.0-12.2 HB2 LEU 38 - HG3 GLU 69 far 0 84 0 - 9.5-10.6 HG3 LYS 39 - HG3 GLU 69 far 0 70 0 - 9.5-13.5 HB2 LEU 38 - HG3 GLU 44 far 0 99 0 - 9.9-13.9 Violated in 11 structures by 0.32 A. Peak 10187 from cnoeabs.peaks (1.69, 2.35, 35.75 ppm; 3.84 A): 4 out of 28 assignments used, quality = 0.78: HD3 LYS 47 + HG3 GLU 44 OK 47 100 75 62 3.3-8.6 12090/4.0=22...(11) HB ILE 52 + HG2 GLU 48 OK 29 74 40 98 2.2-7.3 12316/3.0=27, ~9044=26...(26) HD2 LYS 68 + HG3 GLU 69 OK 28 53 90 58 3.5-6.5 3.0/10185=14...(9) HD2 LYS 47 + HG3 GLU 44 OK 21 100 35 60 3.1-8.2 12090/4.0=23...(13) HD3 LYS 68 - HG3 GLU 69 poor 20 51 70 55 4.3-7.7 3.0/10185=14, ~4538=10...(9) HD2 LYS 12 - HG2 GLU 16 lone 9 68 90 15 2.2-8.9 3.0/10186=5, 657/8981=3...(6) HD3 LYS 47 - HG2 GLU 48 poor 9 82 25 45 4.1-9.1 3.0/10186=15...(7) HB3 LYS 40 - HG3 GLU 44 far 5 100 5 - 5.1-8.6 HD3 LYS 12 - HG2 GLU 16 lone 4 68 50 12 2.7-9.7 3.0/10186=5, 6.2/10807=3...(4) HD3 LYS 66 - HG3 GLU 69 far 4 82 5 - 4.9-6.9 HD2 LYS 47 - HG2 GLU 48 far 4 81 5 - 5.2-10.2 HB2 LEU 2 - HG2 GLU 48 far 4 77 5 - 4.4-9.3 HD2 LYS 20 - HG2 GLU 16 far 4 70 5 - 2.7-7.8 HD3 LYS 20 - HG2 GLU 16 far 3 68 5 - 2.0-8.5 HG3 LYS 20 - HG2 GLU 16 far 3 68 5 - 4.4-8.9 HD2 LYS 73 - HG3 GLU 69 far 0 75 0 - 5.6-8.8 HG LEU 70 - HG3 GLU 69 far 0 84 0 - 5.6-6.6 HG12 ILE 15 - HG2 GLU 16 far 0 72 0 - 6.0-8.5 HD3 LYS 73 - HG3 GLU 69 far 0 73 0 - 6.5-9.6 HB3 LEU 70 - HG3 GLU 69 far 0 64 0 - 6.8-8.0 HD2 LYS 13 - HG2 GLU 16 far 0 68 0 - 7.4-9.1 HD3 LYS 13 - HG2 GLU 16 far 0 67 0 - 7.6-9.9 HB ILE 52 - HG3 GLU 44 far 0 95 0 - 8.3-12.0 HG2 PRO 86 - HG2 GLU 16 far 0 72 0 - 8.5-10.8 HD2 LYS 39 - HG3 GLU 44 far 0 71 0 - 9.1-14.4 HD3 LYS 90 - HG2 GLU 16 far 0 71 0 - 9.2-13.0 HB3 LYS 53 - HG2 GLU 48 far 0 83 0 - 9.3-13.3 HD2 LYS 39 - HG3 GLU 69 far 0 56 0 - 9.5-13.2 Violated in 4 structures by 0.12 A. Peak 10192 from cnoeabs.peaks (1.43, 0.73, 20.80 ppm; 2.97 A): 3 out of 21 assignments used, quality = 0.99: HG LEU 29 + QG1 VAL 5 OK 87 100 100 87 2.6-4.3 3.6/8174=23, ~10500=21...(21) QB ALA 22 + QG1 VAL 5 OK 74 100 100 74 2.8-3.7 8578/2.1=27...(15) QB ALA 71 + QG2 VAL 78 OK 62 66 100 94 1.6-1.8 9553=34, 9685/2.1=32...(27) HB2 LEU 27 - QG1 VAL 5 far 0 79 0 - 4.7-5.6 HG12 ILE 7 - QG1 VAL 5 far 0 100 0 - 5.0-5.7 HG LEU 38 - QG2 VAL 78 far 0 50 0 - 5.4-8.5 HB2 LEU 38 - QG2 VAL 78 far 0 56 0 - 5.6-8.6 HG13 ILE 76 - QG2 VAL 78 far 0 74 0 - 6.4-7.1 HD2 LYS 53 - QG2 VAL 78 far 0 50 0 - 6.4-7.5 HG13 ILE 52 - QG2 VAL 78 far 0 53 0 - 7.1-10.8 HG3 LYS 39 - QG2 VAL 78 far 0 71 0 - 7.6-10.4 HG2 LYS 20 - QG1 VAL 5 far 0 79 0 - 7.6-9.0 HG2 LYS 53 - QG2 VAL 78 far 0 44 0 - 7.9-9.2 QB ALA 71 - QG1 VAL 5 far 0 94 0 - 8.3-9.4 HG LEU 38 - QG1 VAL 5 far 0 75 0 - 8.4-11.7 HB2 LEU 38 - QG1 VAL 5 far 0 82 0 - 8.9-11.8 HG3 ARG 91 - QG1 VAL 5 far 0 87 0 - 9.0-9.7 HG13 ILE 52 - QG1 VAL 5 far 0 79 0 - 9.1-12.6 HD2 LYS 53 - QG1 VAL 5 far 0 75 0 - 9.2-10.5 HG2 LYS 53 - QG1 VAL 5 far 0 68 0 - 9.3-10.5 QB ALA 22 - QG2 VAL 78 far 0 74 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10193 from cnoeabs.peaks (1.45, 1.86, 33.82 ppm; 3.92 A): 3 out of 6 assignments used, quality = 1.00: HG LEU 29 + HB VAL 5 OK 98 99 100 100 3.1-5.0 3.0/8191=51, 3.6/8173=51...(21) QB ALA 22 + HB VAL 5 OK 97 99 100 98 2.3-2.9 8578/2.1=54, 8582=33...(21) HB2 LEU 27 + HB VAL 5 OK 94 99 100 96 4.0-4.6 8633/2.1=59, ~8634=43...(17) HG12 ILE 7 - HB VAL 5 far 0 90 0 - 7.8-8.5 HG2 LYS 20 - HB VAL 5 far 0 99 0 - 9.0-10.2 HG13 ILE 52 - HB VAL 5 far 0 99 0 - 10.0-14.0 Violated in 0 structures by 0.00 A. Peak 10194 from cnoeabs.peaks (1.33, 0.73, 20.80 ppm; 4.14 A): 5 out of 22 assignments used, quality = 0.93: HB3 LEU 27 + QG1 VAL 5 OK 61 98 65 96 5.0-6.0 8634/2.1=68, ~8633=48...(15) HB3 LEU 42 + QG2 VAL 78 OK 45 53 100 85 4.6-5.5 10653/2.1=28, ~10657=16...(24) QB ALA 67 + QG2 VAL 78 OK 35 75 100 46 3.7-4.9 10680/10196=9...(13) QB ALA 89 + QG1 VAL 5 OK 27 100 100 27 4.1-4.9 12172/10272=7...(11) HG3 LYS 68 + QG2 VAL 78 OK 27 67 85 47 4.0-6.3 2.9/10567=12...(11) QB ALA 25 - QG1 VAL 5 far 15 100 15 - 5.6-6.9 HB2 LEU 70 - QG2 VAL 78 poor 8 41 65 30 5.0-5.9 4.1/9550=16, 3.9/9542=11...(5) HB3 ARG 30 - QG1 VAL 5 far 0 59 0 - 5.9-7.2 HG2 ARG 30 - QG1 VAL 5 far 0 61 0 - 6.2-7.6 HG12 ILE 8 - QG1 VAL 5 far 0 75 0 - 6.7-7.8 HG LEU 14 - QG1 VAL 5 far 0 94 0 - 6.7-7.2 QB ALA 67 - QG1 VAL 5 far 0 100 0 - 6.9-8.1 HG12 ILE 8 - QG2 VAL 78 far 0 50 0 - 7.8-9.6 HG2 LYS 39 - QG2 VAL 78 far 0 71 0 - 8.0-10.3 HG2 LYS 94 - QG1 VAL 5 far 0 100 0 - 8.6-10.1 HG LEU 3 - QG1 VAL 5 far 0 71 0 - 8.7-9.1 HB3 ARG 30 - QG2 VAL 78 far 0 38 0 - 9.0-11.0 HG2 ARG 30 - QG2 VAL 78 far 0 40 0 - 9.5-11.5 HB2 LYS 82 - QG2 VAL 78 far 0 72 0 - 9.5-10.3 HB2 LYS 82 - QG1 VAL 5 far 0 99 0 - 9.9-11.2 HB3 LEU 2 - QG1 VAL 5 far 0 100 0 - 9.9-11.8 HB3 LEU 42 - QG1 VAL 5 far 0 79 0 - 9.9-10.9 Violated in 0 structures by 0.00 A. Peak 10195 from cnoeabs.peaks (1.46, 0.98, 22.13 ppm; 3.59 A): 2 out of 15 assignments used, quality = 0.98: HG LEU 64 + QG2 THR 80 OK 91 92 100 99 2.8-4.2 2.1/10762=77, ~10244=39...(26) HB3 LEU 64 + QG2 THR 80 OK 76 77 100 99 2.7-4.8 3.1/10762=60...(24) HG LEU 38 - QG2 THR 80 lone 5 100 35 15 4.7-7.4 12201/10682=5...(3) HB2 LEU 38 - QG2 THR 80 far 0 100 0 - 5.4-7.6 HD2 LYS 82 - QG2 THR 80 far 0 100 0 - 5.8-9.2 HG2 LYS 66 - QG2 THR 80 far 0 75 0 - 6.0-7.6 HG3 LYS 66 - QG2 THR 80 far 0 71 0 - 6.7-7.8 HG12 ILE 7 - QG2 THR 80 far 0 65 0 - 7.2-9.9 HG3 LYS 39 - QG2 THR 80 far 0 93 0 - 8.1-11.3 HG2 LYS 73 - QG2 THR 80 far 0 73 0 - 8.7-11.1 HG LEU 29 - QG2 THR 80 far 0 85 0 - 9.7-11.7 HD2 LYS 53 - QG2 THR 80 far 0 100 0 - 9.7-11.4 HG3 LYS 53 - QG2 THR 80 far 0 99 0 - 9.8-12.8 HG13 ILE 76 - QG2 THR 80 far 0 87 0 - 9.8-11.4 QB ALA 22 - QG2 THR 80 far 0 85 0 - 9.9-10.7 Violated in 6 structures by 0.05 A. Peak 10196 from cnoeabs.peaks (1.53, 0.73, 20.80 ppm; 3.58 A): 4 out of 21 assignments used, quality = 0.98: HB ILE 7 + QG1 VAL 5 OK 75 98 100 76 3.8-4.5 3.0/174=19...(16) HG12 ILE 56 + QG2 VAL 78 OK 64 76 100 85 2.6-4.7 9686/2.1=32, 2582=19...(21) HG LEU 57 + QG1 VAL 5 OK 57 71 100 80 3.4-4.1 10214/8195=21...(22) HG LEU 6 + QG1 VAL 5 OK 51 99 60 86 4.4-6.0 209/178=38, 3.7/8178=28...(19) HG12 ILE 56 - QG1 VAL 5 far 15 100 15 - 4.9-7.0 HG2 ARG 79 - QG2 VAL 78 far 8 76 10 - 4.3-6.0 HG3 ARG 79 - QG2 VAL 78 far 8 76 10 - 4.2-6.1 HG2 ARG 79 - QG1 VAL 5 far 0 100 0 - 5.6-8.6 HG LEU 6 - QG2 VAL 78 far 0 74 0 - 5.6-8.4 HG3 ARG 30 - QG1 VAL 5 far 0 100 0 - 6.1-7.2 HB2 LEU 3 - QG1 VAL 5 far 0 93 0 - 6.4-7.7 HD3 LYS 53 - QG2 VAL 78 far 0 66 0 - 6.4-8.7 HG3 ARG 79 - QG1 VAL 5 far 0 100 0 - 6.5-8.8 HB3 LEU 103 - QG1 VAL 5 far 0 99 0 - 6.5-12.9 HB3 LEU 103 - QG2 VAL 78 far 0 72 0 - 6.7-13.7 HB3 GLU 28 - QG1 VAL 5 far 0 79 0 - 7.0-7.6 HD3 LYS 53 - QG1 VAL 5 far 0 94 0 - 8.7-11.1 HB2 LEU 14 - QG1 VAL 5 far 0 98 0 - 8.8-9.4 HG3 LYS 24 - QG1 VAL 5 far 0 84 0 - 9.3-11.6 HG LEU 57 - QG2 VAL 78 far 0 47 0 - 9.3-10.6 HB2 LEU 3 - QG2 VAL 78 far 0 65 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 10197 from cnoeabs.peaks (1.64, 0.73, 20.80 ppm; 3.83 A): 4 out of 20 assignments used, quality = 0.99: HB3 LEU 6 + QG1 VAL 5 OK 94 99 100 94 4.0-4.4 6065/178=52, 3.0/8178=37...(21) HB ILE 76 + QG2 VAL 78 OK 71 75 100 94 4.0-4.7 ~10906=34, ~10287=32...(21) HB3 ARG 79 + QG2 VAL 78 OK 59 70 100 84 4.3-4.9 7290/4.3=40, 9690/3.2=12...(17) HB2 ARG 79 + QG2 VAL 78 OK 27 37 100 75 4.4-5.1 7289/4.3=24, 9690/3.2=12...(15) HD3 LYS 68 - QG2 VAL 78 poor 18 72 25 - 4.2-6.8 HG2 LYS 68 - QG2 VAL 78 poor 15 76 40 49 4.4-6.5 2.9/10567=10...(13) HD2 LYS 68 - QG2 VAL 78 far 11 72 15 - 4.7-7.5 HB3 LEU 6 - QG2 VAL 78 far 0 74 0 - 5.4-7.1 HB2 ARG 30 - QG1 VAL 5 far 0 63 0 - 6.0-7.3 HB2 ARG 79 - QG1 VAL 5 far 0 57 0 - 6.4-9.4 HB3 ARG 79 - QG1 VAL 5 far 0 97 0 - 6.6-8.9 HD2 LYS 94 - QG1 VAL 5 far 0 96 0 - 7.6-8.9 HG3 LYS 20 - QG1 VAL 5 far 0 70 0 - 8.1-10.3 HB ILE 52 - QG2 VAL 78 far 0 51 0 - 8.9-10.3 HD2 LYS 73 - QG2 VAL 78 far 0 56 0 - 8.9-10.1 HD2 LYS 20 - QG1 VAL 5 far 0 63 0 - 8.9-10.4 HD2 LYS 39 - QG2 VAL 78 far 0 70 0 - 9.1-11.4 HD3 LYS 20 - QG1 VAL 5 far 0 70 0 - 9.2-10.9 HD3 LYS 73 - QG2 VAL 78 far 0 58 0 - 9.3-10.3 HD3 LYS 39 - QG2 VAL 78 far 0 76 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 10198 from cnoeabs.peaks (2.04, 0.73, 20.80 ppm; 4.20 A): 1 out of 17 assignments used, quality = 0.94: HG12 ILE 93 + QG1 VAL 5 OK 94 100 100 94 1.8-2.6 10016/8195=43, ~10322=38...(21) HB2 MET 21 - QG1 VAL 5 poor 15 99 70 22 5.0-7.1 7509/10369=5...(7) HB2 MET 74 - QG2 VAL 78 far 6 63 10 - 5.6-8.0 HB3 LEU 38 - QG2 VAL 78 far 0 50 0 - 6.4-8.3 HB3 LYS 94 - QG1 VAL 5 far 0 93 0 - 7.6-9.4 HB3 GLU 17 - QG1 VAL 5 far 0 68 0 - 7.8-9.4 HG2 GLU 28 - QG1 VAL 5 far 0 90 0 - 8.1-9.2 HG3 GLU 28 - QG1 VAL 5 far 0 90 0 - 8.2-8.9 HB3 GLU 88 - QG1 VAL 5 far 0 65 0 - 8.2-9.1 HB2 GLU 99 - QG1 VAL 5 far 0 100 0 - 8.6-11.2 HB3 LEU 38 - QG1 VAL 5 far 0 75 0 - 8.8-11.4 HB3 GLU 35 - QG2 VAL 78 far 0 38 0 - 8.9-11.4 HB3 GLU 99 - QG1 VAL 5 far 0 100 0 - 9.0-12.0 HB3 GLU 43 - QG2 VAL 78 far 0 61 0 - 9.6-10.7 HB2 GLU 16 - QG1 VAL 5 far 0 70 0 - 9.7-10.7 HG12 ILE 93 - QG2 VAL 78 far 0 75 0 - 9.8-11.3 HB2 GLU 98 - QG1 VAL 5 far 0 100 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10199 from cnoeabs.peaks (2.90, 0.98, 22.13 ppm; 5.01 A): 2 out of 6 assignments used, quality = 1.00: HE3 LYS 68 + QG2 THR 80 OK 99 99 100 100 4.0-6.0 3.6/12321=70...(16) HE2 LYS 68 + QG2 THR 80 OK 99 99 100 100 4.4-6.4 3.6/12321=70...(16) HE3 LYS 66 - QG2 THR 80 far 0 100 0 - 6.9-8.9 HE2 LYS 66 - QG2 THR 80 far 0 100 0 - 7.4-9.0 HB2 ASN 60 - QG2 THR 80 far 0 99 0 - 7.8-9.2 HE2 LYS 39 - QG2 THR 80 far 0 79 0 - 9.7-13.0 Violated in 3 structures by 0.03 A. Peak 10200 from cnoeabs.peaks (8.55, 5.34, 59.36 ppm; 4.25 A): 3 out of 3 assignments used, quality = 0.96: H ASN 51 + HA ILE 52 OK 87 91 100 96 4.3-5.4 6839/3.0=63, ~6854=35...(13) H GLN 50 + HA ILE 52 OK 48 100 80 61 5.1-6.8 6853/3.0=24, ~9139=23...(6) H VAL 58 + HA THR 80 OK 38 65 70 85 5.0-6.0 10926/7311=65...(10) Violated in 19 structures by 0.16 A. Peak 10202 from cnoeabs.peaks (8.55, 0.78, 17.78 ppm; 4.61 A): 4 out of 6 assignments used, quality = 1.00: H GLN 50 + QG2 ILE 52 OK 99 100 100 99 1.9-5.2 4.3/9066=56, 4.3/9165=48...(23) H ASN 51 + QG2 ILE 52 OK 98 98 100 100 2.6-4.7 6839/2350=66, 9107=64...(26) H VAL 58 + QG2 ILE 8 OK 67 68 100 99 5.1-6.1 ~9374=51, ~8300=50...(15) H LEU 2 + QG2 ILE 52 OK 60 63 100 94 3.5-6.0 4.0/12274=37...(21) H ASP 61 - QG2 ILE 8 far 0 44 0 - 7.1-8.2 H LYS 12 - QG2 ILE 8 far 0 61 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10203 from cnoeabs.peaks (8.36, 5.16, 60.16 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: H TYR 4 + HA VAL 54 OK 100 100 100 100 2.2-2.9 9293/6902=60...(28) Violated in 0 structures by 0.00 A. Peak 10204 from cnoeabs.peaks (2.30, 5.16, 60.16 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: HB2 TYR 4 + HA VAL 54 OK 100 100 100 100 1.9-2.8 9239/3.2=77...(30) HB2 TYR 41 - HA VAL 54 far 0 94 0 - 7.7-10.1 HG2 GLU 48 - HA VAL 54 far 0 63 0 - 8.9-12.4 HB2 GLU 48 - HA VAL 54 far 0 100 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 10206 from cnoeabs.peaks (1.67, 0.65, 22.12 ppm; 4.36 A): 3 out of 14 assignments used, quality = 1.00: HB ILE 52 + QG2 VAL 54 OK 95 100 100 95 3.7-5.2 3.0/9240=65...(21) HB3 LYS 53 + QG2 VAL 54 OK 93 95 100 98 4.3-5.1 3.0/9200=66, 4.4/6897=56...(14) HB ILE 76 + QG2 VAL 54 OK 86 87 100 99 3.6-4.4 2.1/11070=90, ~9233=45...(13) HB3 LEU 6 - QG2 VAL 54 far 14 92 15 - 5.8-7.0 HB2 LEU 2 - QG2 VAL 54 poor 11 71 30 52 4.8-8.1 8051/9240=28...(8) HB3 ARG 79 - QG2 VAL 54 far 5 97 5 - 5.7-8.3 HD3 LYS 47 - QG2 VAL 54 far 0 98 0 - 8.5-11.6 HD2 LYS 47 - QG2 VAL 54 far 0 98 0 - 9.1-11.6 HB3 LYS 40 - QG2 VAL 54 far 0 96 0 - 9.1-10.6 HD3 LYS 68 - QG2 VAL 54 far 0 95 0 - 9.3-12.2 HG2 LYS 68 - QG2 VAL 54 far 0 84 0 - 9.7-11.9 HD2 LYS 68 - QG2 VAL 54 far 0 96 0 - 9.8-12.8 HG LEU 70 - QG2 VAL 54 far 0 77 0 - 9.8-11.3 HB2 LYS 40 - QG2 VAL 54 far 0 90 0 - 10.0-11.3 Violated in 0 structures by 0.00 A. Peak 10207 from cnoeabs.peaks (1.53, 0.65, 22.12 ppm; 4.49 A): 4 out of 11 assignments used, quality = 0.97: HG LEU 6 + QG2 VAL 54 OK 86 100 90 96 4.6-7.1 10209/2.1=45...(21) HG12 ILE 56 + QG2 VAL 54 OK 55 100 65 84 5.4-6.6 10209/2.1=38, ~10678=32...(10) HD3 LYS 53 + QG2 VAL 54 OK 36 90 50 80 4.5-6.5 5.3/9200=41...(9) HG LEU 2 + QG2 VAL 54 OK 20 96 50 42 5.1-7.7 8154/9224=12...(10) HB2 LEU 3 - QG2 VAL 54 far 9 88 10 - 5.9-7.1 HG2 ARG 79 - QG2 VAL 54 far 5 100 5 - 5.4-9.0 HG3 ARG 79 - QG2 VAL 54 far 5 100 5 - 5.6-9.3 HB3 GLU 28 - QG2 VAL 54 far 0 71 0 - 6.5-7.9 HG3 ARG 30 - QG2 VAL 54 far 0 100 0 - 6.9-9.7 HG2 LYS 47 - QG2 VAL 54 far 0 59 0 - 8.2-11.3 HB3 LEU 103 - QG2 VAL 54 far 0 100 0 - 9.9-13.1 Violated in 7 structures by 0.07 A. Peak 10208 from cnoeabs.peaks (1.46, 0.65, 22.12 ppm; 4.13 A): 4 out of 14 assignments used, quality = 1.00: HG13 ILE 52 + QG2 VAL 54 OK 94 100 100 94 2.6-5.6 1.8/9240=74...(23) HG2 LYS 53 + QG2 VAL 54 OK 83 100 95 87 5.1-6.3 3.9/9200=49, ~10651=23...(14) HG13 ILE 76 + QG2 VAL 54 OK 62 91 75 92 4.7-6.0 3.2/11070=69, ~9233=31...(15) HD2 LYS 53 + QG2 VAL 54 OK 57 100 80 71 4.7-6.0 2438/9200=38...(9) HG3 LYS 53 - QG2 VAL 54 far 5 99 5 - 5.3-6.2 QB ALA 22 - QG2 VAL 54 far 0 90 0 - 7.4-8.2 HB2 LEU 27 - QG2 VAL 54 far 0 100 0 - 7.4-9.1 HB2 LEU 38 - QG2 VAL 54 far 0 100 0 - 7.5-10.8 HG LEU 38 - QG2 VAL 54 far 0 100 0 - 7.7-10.6 HG2 LYS 47 - QG2 VAL 54 far 0 70 0 - 8.2-11.3 HG LEU 29 - QG2 VAL 54 far 0 90 0 - 8.2-10.7 HG3 LYS 39 - QG2 VAL 54 far 0 96 0 - 8.8-11.1 HD2 LYS 40 - QG2 VAL 54 far 0 100 0 - 9.2-12.9 HD3 LYS 40 - QG2 VAL 54 far 0 99 0 - 9.2-12.8 Violated in 2 structures by 0.01 A. Peak 10209 from cnoeabs.peaks (1.52, 0.76, 21.39 ppm; 3.30 A): 2 out of 26 assignments used, quality = 0.95: HG LEU 6 + QG1 VAL 54 OK 83 100 95 87 2.1-5.0 209/10663=25, 215=24...(20) HG12 ILE 56 + QG1 VAL 54 OK 71 99 100 72 2.9-4.7 ~10678=16, 4.9/10662=15...(15) HG12 ILE 56 - QG1 VAL 78 poor 20 80 35 70 4.0-5.5 2579/2.1=22, 2582/2.1=15...(17) HG3 ARG 79 - QG1 VAL 54 far 0 97 0 - 5.0-8.6 HG2 ARG 79 - QG1 VAL 78 far 0 78 0 - 5.2-7.7 HG3 ARG 79 - QG1 VAL 78 far 0 77 0 - 5.4-7.8 HG LEU 6 - QG1 VAL 78 far 0 83 0 - 5.4-8.1 HG3 ARG 30 - QG1 VAL 54 far 0 99 0 - 5.5-8.2 HD3 LYS 53 - QG1 VAL 78 far 0 56 0 - 5.6-8.1 HG2 ARG 79 - QG1 VAL 54 far 0 98 0 - 5.8-8.7 HB2 LEU 3 - QG1 VAL 54 far 0 73 0 - 6.2-7.5 HD3 LYS 53 - QG1 VAL 54 far 0 75 0 - 6.5-8.3 HG LEU 2 - QG1 VAL 54 far 0 100 0 - 6.8-9.6 HB ILE 7 - QG1 VAL 54 far 0 100 0 - 7.6-8.4 HG2 LYS 73 - QG1 VAL 78 far 0 59 0 - 7.9-9.3 HG LEU 2 - QG1 VAL 78 far 0 82 0 - 8.0-11.0 HG LEU 57 - QG1 VAL 54 far 0 92 0 - 8.1-8.8 HB3 LEU 103 - QG1 VAL 78 far 0 83 0 - 8.4-13.9 HB2 LEU 3 - QG1 VAL 78 far 0 54 0 - 8.7-10.2 HG2 LYS 47 - QG1 VAL 78 far 0 57 0 - 8.8-12.6 HG2 LYS 47 - QG1 VAL 54 far 0 77 0 - 9.0-12.8 HB3 LEU 103 - QG1 VAL 54 far 0 100 0 - 9.3-13.3 HB3 LEU 64 - QG1 VAL 54 far 0 75 0 - 9.6-11.4 HG3 ARG 30 - QG1 VAL 78 far 0 81 0 - 9.6-11.4 HG3 LYS 66 - QG1 VAL 78 far 0 60 0 - 9.8-12.7 HB3 LEU 64 - QG1 VAL 78 far 0 56 0 - 9.9-11.3 Violated in 1 structures by 0.00 A. Peak 10210 from cnoeabs.peaks (1.41, 0.76, 21.39 ppm; 3.41 A): 3 out of 10 assignments used, quality = 0.93: QB ALA 71 + QG1 VAL 78 OK 82 83 100 99 1.7-2.3 9685/2.1=59...(28) HG13 ILE 76 + QG1 VAL 78 OK 53 65 100 81 4.4-4.7 3.2/10906=26, ~10287=19...(17) QB ALA 71 + QG1 VAL 54 OK 21 100 55 38 4.3-6.2 9234/2.1=12...(7) HG LEU 29 - QG1 VAL 54 far 0 87 0 - 6.0-8.6 QB ALA 22 - QG1 VAL 54 far 0 87 0 - 6.1-6.9 HG13 ILE 76 - QG1 VAL 54 far 0 85 0 - 6.2-7.5 HG3 LYS 39 - QG1 VAL 78 far 0 57 0 - 7.2-9.8 HG3 LYS 39 - QG1 VAL 54 far 0 77 0 - 8.5-10.7 HG12 ILE 7 - QG1 VAL 54 far 0 98 0 - 8.8-10.4 QB ALA 22 - QG1 VAL 78 far 0 66 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 10211 from cnoeabs.peaks (0.44, 0.83, 23.91 ppm; 3.23 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 55 + QD1 LEU 57 OK 100 100 100 100 1.9-3.6 2.1/10212=63, 9272=53...(30) HG2 ARG 81 + QD1 LEU 57 OK 78 99 95 83 3.7-4.8 9747=16, 2.9/9748=15...(20) QD1 LEU 3 - QD1 LEU 57 far 0 85 0 - 9.2-10.8 Violated in 7 structures by 0.03 A. Peak 10212 from cnoeabs.peaks (0.50, 0.83, 23.91 ppm; 3.30 A): 1 out of 2 assignments used, quality = 0.98: QD2 LEU 55 + QD1 LEU 57 OK 98 100 100 98 2.1-3.5 10217/2.1=38...(23) QD1 LEU 3 - QD1 LEU 57 far 0 57 0 - 9.2-10.8 Violated in 10 structures by 0.07 A. Peak 10213 from cnoeabs.peaks (0.45, 0.80, 25.48 ppm; 4.21 A): 2 out of 9 assignments used, quality = 0.98: QD1 LEU 55 + QD2 LEU 57 OK 96 96 100 100 1.9-3.4 2.1/10217=73, ~10212=58...(34) HG2 ARG 81 + QD2 LEU 57 OK 59 87 75 90 3.6-6.4 10211/2.1=38...(19) QD1 LEU 55 - QD1 LEU 6 far 0 61 0 - 6.3-8.4 QD1 LEU 55 - QD2 LEU 38 far 0 57 0 - 7.3-10.2 QD1 LEU 3 - QD2 LEU 57 far 0 99 0 - 8.4-9.2 QD1 LEU 3 - QD1 LEU 6 far 0 64 0 - 8.9-11.2 HG2 ARG 81 - QD1 LEU 6 far 0 53 0 - 9.0-12.3 HG2 ARG 81 - QD2 LEU 38 far 0 49 0 - 9.7-12.6 QD1 LEU 55 - QD1 LEU 70 far 0 54 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 10214 from cnoeabs.peaks (0.49, 1.50, 26.28 ppm; 4.77 A): 1 out of 2 assignments used, quality = 0.93: QD2 LEU 55 + HG LEU 57 OK 93 93 100 100 2.5-3.6 10212/2.1=92, 9268=84...(25) QD2 LEU 55 - HG3 ARG 30 far 0 45 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 10215 from cnoeabs.peaks (2.09, 1.82, 42.45 ppm; 5.87 A): 2 out of 8 assignments used, quality = 0.98: HB VAL 83 + HB3 LEU 57 OK 94 94 100 100 5.6-6.5 ~9809=89, 9820/1.8=89...(23) HB3 GLU 88 + HB3 LEU 57 OK 65 95 80 85 6.2-7.4 9362/1.8=41, 9361/2.9=25...(10) QE MET 21 - HB3 LEU 57 far 0 100 0 - 8.6-10.0 HB2 PRO 86 - HB3 LEU 57 far 0 85 0 - 8.7-9.8 HB3 PRO 86 - HB3 LEU 57 far 0 99 0 - 9.1-10.0 HB2 LEU 64 - HB3 LEU 57 far 0 94 0 - 9.2-10.7 HG3 GLU 104 - HB3 LEU 57 far 0 100 0 - 9.5-20.3 HB3 LEU 38 - HB3 LEU 57 far 0 90 0 - 10.0-12.9 Violated in 10 structures by 0.08 A. Peak 10217 from cnoeabs.peaks (0.52, 0.80, 25.48 ppm; 4.18 A): 1 out of 3 assignments used, quality = 0.97: QD2 LEU 55 + QD2 LEU 57 OK 97 98 100 100 1.8-1.9 10212/2.1=78...(28) QD2 LEU 55 - QD1 LEU 6 far 3 63 5 - 5.4-7.9 QD2 LEU 55 - QD2 LEU 38 far 0 60 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 10218 from cnoeabs.peaks (1.88, 0.68, 19.32 ppm; 4.92 A): 3 out of 5 assignments used, quality = 0.99: HB ILE 8 + QG2 VAL 58 OK 98 98 100 100 3.8-4.3 9374/3.2=84, 8301/2.1=77...(37) HB3 LYS 66 + QG2 VAL 58 OK 54 90 95 63 5.7-6.5 10224/2.1=25...(8) HB3 LYS 68 + QG2 VAL 58 OK 22 98 40 55 6.1-6.7 9492/9393=23...(6) HB3 LEU 14 - QG2 VAL 58 far 0 93 0 - 8.8-9.6 HB3 GLU 104 - QG2 VAL 58 far 0 98 0 - 9.9-16.6 Violated in 0 structures by 0.00 A. Peak 10219 from cnoeabs.peaks (2.13, 0.68, 19.32 ppm; 4.13 A): 1 out of 9 assignments used, quality = 0.97: HB2 LEU 64 + QG2 VAL 58 OK 97 97 100 100 1.9-2.9 3.0/9388=70, 9474=56...(27) HB VAL 83 - QG2 VAL 58 far 0 97 0 - 5.9-6.5 HB3 GLU 62 - QG2 VAL 58 far 0 61 0 - 6.1-7.2 HG2 GLU 104 - QG2 VAL 58 far 0 91 0 - 7.6-16.3 HG2 GLU 88 - QG2 VAL 58 far 0 96 0 - 7.7-10.0 HG3 GLU 104 - QG2 VAL 58 far 0 79 0 - 8.0-17.5 HG2 GLU 69 - QG2 VAL 58 far 0 100 0 - 8.7-11.2 HB2 GLU 69 - QG2 VAL 58 far 0 100 0 - 9.1-10.2 HB3 GLU 69 - QG2 VAL 58 far 0 100 0 - 9.2-11.4 Violated in 0 structures by 0.00 A. Peak 10220 from cnoeabs.peaks (2.21, 0.68, 19.32 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.98: HB2 GLU 63 + QG2 VAL 58 OK 98 98 100 100 3.2-4.3 10700/2.1=77, ~10233=54...(31) HG3 GLU 35 - QG2 VAL 58 far 0 98 0 - 9.3-12.6 Violated in 1 structures by 0.00 A. Peak 10221 from cnoeabs.peaks (0.97, 0.68, 19.32 ppm; 3.73 A): 3 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + QG2 VAL 58 OK 96 99 100 97 3.6-4.2 7354/10710=47...(19) QG2 THR 80 + QG2 VAL 58 OK 95 100 100 95 3.0-4.9 9476/9388=45...(24) QG1 VAL 83 + QG2 VAL 58 OK 58 65 100 88 4.6-5.0 4.0/10710=39...(13) HG LEU 55 - QG2 VAL 58 far 0 99 0 - 7.2-7.9 QG2 VAL 5 - QG2 VAL 58 far 0 81 0 - 9.0-10.3 Violated in 0 structures by 0.00 A. Peak 10222 from cnoeabs.peaks (1.13, 0.68, 19.32 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.98: HG3 LYS 82 + QG2 VAL 58 OK 98 99 100 100 2.2-3.8 9763=88, 1.8/9760=74...(20) QG2 THR 31 - QG2 VAL 58 far 0 97 0 - 7.9-9.0 Violated in 0 structures by 0.00 A. Peak 10223 from cnoeabs.peaks (0.98, 0.72, 21.78 ppm; 3.56 A): 2 out of 5 assignments used, quality = 0.99: QG2 THR 80 + QG1 VAL 58 OK 95 100 100 95 2.4-4.0 9476/9385=40...(27) QG2 VAL 83 + QG1 VAL 58 OK 78 92 100 85 4.5-4.9 9788/2667=32...(17) QG1 VAL 83 - QG1 VAL 58 far 0 82 0 - 5.4-6.1 HG LEU 55 - QG1 VAL 58 far 0 93 0 - 6.5-7.0 QG2 VAL 5 - QG1 VAL 58 far 0 63 0 - 8.2-9.1 Violated in 3 structures by 0.02 A. Peak 10224 from cnoeabs.peaks (1.89, 0.72, 21.78 ppm; 3.49 A): 2 out of 9 assignments used, quality = 1.00: HB ILE 8 + QG1 VAL 58 OK 99 100 100 100 1.9-2.5 9374/3.2=50, 8301/2.1=38...(35) HB3 LYS 66 + QG1 VAL 58 OK 35 82 85 50 4.2-5.1 10218/2.1=11...(11) HB3 LYS 68 - QG1 VAL 58 far 0 95 0 - 5.3-6.5 HG LEU 42 - QG1 VAL 58 far 0 99 0 - 7.9-9.7 HB2 LYS 33 - QG1 VAL 58 far 0 79 0 - 8.6-9.8 HB VAL 54 - QG1 VAL 58 far 0 100 0 - 8.6-9.7 HB3 LEU 14 - QG1 VAL 58 far 0 97 0 - 8.7-9.9 HB3 LYS 33 - QG1 VAL 58 far 0 82 0 - 8.9-9.9 HB VAL 5 - QG1 VAL 58 far 0 82 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 10225 from cnoeabs.peaks (1.78, 0.72, 21.78 ppm; 3.55 A): 2 out of 9 assignments used, quality = 1.00: HB3 GLU 63 + QG1 VAL 58 OK 100 100 100 100 1.9-3.4 1.8/9381=58...(39) HB ILE 56 + QG1 VAL 58 OK 83 96 100 86 3.3-4.5 6931/10714=23, ~9324=22...(17) HB2 LYS 66 - QG1 VAL 58 far 0 98 0 - 5.4-6.2 HB3 LYS 82 - QG1 VAL 58 far 0 97 0 - 5.4-6.6 HB VAL 78 - QG1 VAL 58 far 0 100 0 - 7.8-8.7 HB2 GLU 88 - QG1 VAL 58 far 0 75 0 - 8.8-10.5 HB2 GLU 104 - QG1 VAL 58 far 0 75 0 - 9.4-17.8 HB2 LYS 39 - QG1 VAL 58 far 0 92 0 - 9.5-11.7 HB2 LEU 42 - QG1 VAL 58 far 0 79 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 10226 from cnoeabs.peaks (3.92, 0.72, 21.78 ppm; 4.71 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 63 + QG1 VAL 58 OK 100 100 100 100 3.4-3.8 3.0/9381=76...(37) HB3 SER 9 + QG1 VAL 58 OK 58 100 80 73 5.2-7.4 8349/4.2=22...(12) HA GLU 35 - QG1 VAL 58 far 0 70 0 - 6.8-7.9 HA ALA 89 - QG1 VAL 58 far 0 92 0 - 7.7-8.2 Violated in 0 structures by 0.00 A. Peak 10227 from cnoeabs.peaks (3.94, 0.68, 19.32 ppm; 6.27 A): 2 out of 4 assignments used, quality = 0.96: HA GLU 63 + QG2 VAL 58 OK 85 85 100 100 4.3-4.8 3.0/10220=97, ~10700=79...(32) HB3 SER 9 + QG2 VAL 58 OK 75 98 100 77 5.0-7.4 9402/4.2=36...(8) HA ALA 89 - QG2 VAL 58 poor 8 61 50 25 7.5-8.2 ~9369=10, 9928/9807=10 HB2 SER 85 - QG2 VAL 58 far 0 65 0 - 9.2-10.5 Violated in 0 structures by 0.00 A. Peak 10228 from cnoeabs.peaks (4.71, 0.68, 19.32 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 82 + QG2 VAL 58 OK 99 99 100 99 1.8-2.3 7343/10710=42...(25) HA LEU 55 - QG2 VAL 58 far 0 59 0 - 8.3-9.1 HA ARG 79 - QG2 VAL 58 far 0 100 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 10229 from cnoeabs.peaks (0.84, 1.18, 44.10 ppm; 3.74 A): 2 out of 11 assignments used, quality = 0.99: QG2 VAL 32 + HB2 LEU 6 OK 99 100 100 99 2.3-3.1 10160/1.8=70, 10337=68...(22) QG2 ILE 7 + HB2 LEU 6 OK 52 59 95 92 4.7-5.3 4.0/6073=28, 2.1/197=25...(19) QD1 LEU 38 - HB2 LEU 6 lone 9 88 55 19 3.2-7.1 10231/1.8=8, 1405/8943=6...(5) QD2 LEU 38 - HB2 LEU 6 poor 7 96 30 24 3.4-6.4 1405/8943=8, ~10231=5...(6) QD1 LEU 57 - HB2 LEU 6 far 0 99 0 - 6.4-8.0 QG2 ILE 15 - HB2 LEU 6 far 0 81 0 - 7.0-7.9 QD1 LEU 70 - HB2 LEU 6 far 0 90 0 - 7.5-10.7 QD2 LEU 70 - HB2 LEU 6 far 0 77 0 - 8.3-11.2 QD1 ILE 76 - HB2 LEU 6 far 0 63 0 - 8.5-9.6 QD2 LEU 103 - HB2 LEU 6 far 0 99 0 - 9.6-18.6 QD1 LEU 103 - HB2 LEU 6 far 0 82 0 - 9.9-18.7 Violated in 0 structures by 0.00 A. Peak 10230 from cnoeabs.peaks (0.82, 5.47, 52.09 ppm; 4.05 A): 3 out of 12 assignments used, quality = 1.00: QG2 VAL 32 + HA LEU 6 OK 99 99 100 99 3.7-4.4 10154=76, 10160/3.0=63...(19) QG2 ILE 7 + HA LEU 6 OK 84 85 100 99 4.4-4.7 4.0/6072=62, 8256=47...(25) QD2 LEU 57 + HA LEU 6 OK 42 81 90 57 4.3-5.9 3.1/10372=17...(13) QD2 LEU 38 - HA LEU 6 far 10 100 10 - 5.4-8.5 QD1 LEU 38 - HA LEU 6 far 6 63 10 - 5.2-9.0 QG2 ILE 15 - HA LEU 6 far 0 97 0 - 6.1-6.6 QD1 LEU 57 - HA LEU 6 far 0 100 0 - 6.6-7.8 QG2 ILE 8 - HA LEU 6 far 0 63 0 - 7.5-7.9 QD1 ILE 76 - HA LEU 6 far 0 88 0 - 9.4-10.6 QD1 LEU 70 - HA LEU 6 far 0 99 0 - 9.5-12.6 QD2 LEU 103 - HA LEU 6 far 0 100 0 - 9.5-18.1 QD2 LEU 2 - HA LEU 6 far 0 96 0 - 9.9-13.6 Violated in 0 structures by 0.00 A. Peak 10231 from cnoeabs.peaks (0.85, 1.65, 44.10 ppm; 4.10 A): 1 out of 10 assignments used, quality = 0.91: QG2 VAL 32 + HB3 LEU 6 OK 91 92 100 100 3.3-4.4 10160=87, 10337/1.8=55...(17) QD2 LEU 38 - HB3 LEU 6 poor 16 79 20 - 4.0-6.6 QD1 LEU 38 - HB3 LEU 6 poor 16 99 60 26 3.6-7.2 10674/10672=5, 12070=5...(8) HG13 ILE 8 - HB3 LEU 6 poor 14 65 45 47 4.9-6.8 ~8234=11, 2.1/206=10...(10) QD1 LEU 57 - HB3 LEU 6 far 0 87 0 - 5.8-7.5 QG2 ILE 76 - HB3 LEU 6 far 0 73 0 - 7.5-9.5 QD1 LEU 70 - HB3 LEU 6 far 0 65 0 - 7.6-10.5 QD2 LEU 103 - HB3 LEU 6 far 0 85 0 - 8.3-17.2 QD1 LEU 103 - HB3 LEU 6 far 0 98 0 - 8.6-17.4 QD2 LEU 64 - HB3 LEU 6 far 0 99 0 - 9.8-11.0 Violated in 5 structures by 0.04 A. Peak 10232 from cnoeabs.peaks (9.10, 0.69, 24.21 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.99: H ARG 30 + QD2 LEU 6 OK 99 100 100 99 2.0-4.8 8698/218=62, 4.0/8717=34...(21) H VAL 83 - QD2 LEU 14 far 3 65 5 - 5.6-6.3 H ARG 30 - QD2 LEU 14 far 0 72 0 - 7.5-8.4 Violated in 1 structures by 0.03 A. Peak 10233 from cnoeabs.peaks (2.60, 1.78, 29.93 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: HB VAL 58 + HB3 GLU 63 OK 100 100 100 100 1.7-3.5 9375=82, 10700/1.8=78...(33) Violated in 0 structures by 0.00 A. Peak 10234 from cnoeabs.peaks (2.91, 2.29, 36.00 ppm; 4.27 A): 1 out of 14 assignments used, quality = 0.90: HB2 ASN 60 + HG2 GLU 63 OK 90 93 100 97 1.9-2.8 3.5/9426=48, 9423/1.8=47...(9) HE3 LYS 39 - HG3 GLU 43 poor 12 24 50 - 4.3-8.0 HE3 LYS 20 - HG3 GLU 16 far 10 100 10 - 5.1-9.2 HE2 LYS 20 - HG3 GLU 16 far 5 100 5 - 5.1-9.6 HE2 LYS 20 - HG2 GLU 23 far 3 57 5 - 5.4-10.1 HE3 LYS 20 - HG2 GLU 23 far 0 56 0 - 6.0-9.7 HE2 LYS 66 - HG2 GLU 63 far 0 96 0 - 7.0-10.2 HG2 MET 21 - HG2 GLU 23 far 0 38 0 - 7.3-10.3 HE3 LYS 66 - HG2 GLU 63 far 0 99 0 - 7.6-9.9 HE3 LYS 90 - HG3 GLU 16 far 0 85 0 - 7.9-12.3 HE3 LYS 73 - HG3 GLU 43 far 0 23 0 - 8.1-12.2 HB2 ASN 10 - HG2 GLU 63 far 0 95 0 - 8.4-11.3 HG2 MET 21 - HG3 GLU 16 far 0 78 0 - 8.8-13.0 HE2 LYS 94 - HG2 GLU 23 far 0 55 0 - 8.9-15.0 Violated in 0 structures by 0.00 A. Peak 10235 from cnoeabs.peaks (2.61, 3.91, 58.27 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.99: HB VAL 58 + HA GLU 63 OK 96 96 100 100 4.4-4.8 10700/3.0=73...(27) HB3 ASP 65 + HA GLU 63 OK 64 81 85 94 5.5-6.6 7067/7061=58...(11) Violated in 0 structures by 0.00 A. Peak 10236 from cnoeabs.peaks (2.60, 2.20, 29.93 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: HB VAL 58 + HB2 GLU 63 OK 100 100 100 100 2.0-3.3 10700=100, 10233/1.8=82...(30) HB3 ASP 65 - HB2 GLU 63 far 0 63 0 - 7.5-8.2 Violated in 0 structures by 0.00 A. Peak 10240 from cnoeabs.peaks (4.07, 3.91, 58.27 ppm; 4.27 A): 1 out of 2 assignments used, quality = 0.98: HA LYS 66 + HA GLU 63 OK 98 99 100 99 4.9-5.6 3.0/7061=70...(14) HB3 SER 59 - HA GLU 63 far 0 75 0 - 8.2-9.9 Violated in 20 structures by 0.93 A. Peak 10242 from cnoeabs.peaks (1.64, 0.86, 25.46 ppm; 3.63 A): 2 out of 16 assignments used, quality = 0.79: HD3 LYS 68 + QD2 LEU 64 OK 68 96 75 95 3.2-5.9 3.0/12320=40...(29) HG2 LYS 68 + QD2 LEU 64 OK 32 100 35 93 3.9-6.7 12320=49, 10268/9503=25...(22) HD2 LYS 68 - QD2 LEU 64 poor 19 96 20 - 4.3-6.9 HB2 ARG 79 - QD1 LEU 103 poor 18 32 55 - 2.0-11.7 HB3 ARG 79 - QD1 LEU 103 poor 15 52 30 - 2.8-11.9 HG2 LYS 68 - QD1 LEU 103 far 6 59 10 - 4.7-18.4 HD3 LYS 68 - QD1 LEU 103 far 5 54 10 - 4.4-16.4 HD2 LYS 68 - QD1 LEU 103 far 3 53 5 - 4.8-16.7 HD2 LYS 66 - QD2 LEU 64 far 0 68 0 - 7.2-9.9 HD3 LYS 94 - QD1 LEU 103 far 0 30 0 - 7.6-17.1 HB2 ARG 79 - QD2 LEU 64 far 0 65 0 - 7.9-9.8 HB3 ARG 79 - QD2 LEU 64 far 0 94 0 - 8.4-10.4 HB3 LEU 6 - QD1 LEU 103 far 0 56 0 - 8.6-17.4 HB ILE 76 - QD1 LEU 103 far 0 58 0 - 8.6-17.3 HD2 LYS 94 - QD1 LEU 103 far 0 56 0 - 8.7-16.7 HB3 LEU 6 - QD2 LEU 64 far 0 98 0 - 9.8-11.0 Violated in 17 structures by 0.58 A. Peak 10243 from cnoeabs.peaks (1.65, 0.74, 24.36 ppm; 3.81 A): 3 out of 5 assignments used, quality = 1.00: HD3 LYS 68 + QD1 LEU 64 OK 98 100 100 99 3.4-3.9 10264=52, 10242/2.1=47...(31) HD2 LYS 68 + QD1 LEU 64 OK 92 100 95 97 4.6-5.4 1.8/10264=42, ~10242=33...(34) HG2 LYS 68 + QD1 LEU 64 OK 49 100 50 98 2.2-6.0 12320/2.1=51...(25) HB3 ARG 79 - QD1 LEU 64 far 0 100 0 - 6.0-7.9 HB3 LEU 6 - QD1 LEU 64 far 0 100 0 - 7.4-9.1 Violated in 0 structures by 0.00 A. Peak 10244 from cnoeabs.peaks (3.69, 0.74, 24.36 ppm; 3.49 A): 1 out of 2 assignments used, quality = 0.99: HB THR 80 + QD1 LEU 64 OK 99 100 100 100 1.8-2.0 2.1/10762=74, 9724=54...(32) HA GLU 88 - QD1 LEU 64 far 0 82 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10245 from cnoeabs.peaks (3.66, 1.48, 27.00 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.99: HB THR 80 + HG LEU 64 OK 96 96 100 100 2.9-3.9 10244/2.1=72...(24) HA GLU 88 + HG3 ARG 91 OK 51 52 100 99 4.1-4.5 4024/2.8=75, 9960/2.9=50...(16) HA LYS 90 + HG3 ARG 91 OK 44 51 100 87 5.3-5.8 3.6/7445=36, 9956/4.0=28...(14) HB THR 80 - HG LEU 38 far 0 73 0 - 7.8-11.2 HA LEU 14 - HG3 ARG 91 far 0 44 0 - 7.9-9.3 Violated in 0 structures by 0.00 A. Peak 10246 from cnoeabs.peaks (3.68, 0.86, 25.46 ppm; 4.85 A): 1 out of 5 assignments used, quality = 1.00: HB THR 80 + QD2 LEU 64 OK 100 100 100 100 4.1-4.5 10244/2.1=96, 9723=80...(23) HB THR 80 - QD1 LEU 103 poor 12 60 20 - 5.7-16.8 HA GLU 88 - QD1 LEU 103 far 8 52 15 - 5.3-15.2 HA3 GLY 100 - QD1 LEU 103 far 1 30 5 - 5.5-11.0 HA LYS 90 - QD1 LEU 103 far 0 58 0 - 7.6-15.9 Violated in 0 structures by 0.00 A. Peak 10247 from cnoeabs.peaks (8.73, 0.86, 25.46 ppm; 4.44 A): 2 out of 4 assignments used, quality = 1.00: H LYS 82 + QD2 LEU 64 OK 99 99 100 100 2.8-4.3 7328/2.1=77...(15) H ARG 81 + QD2 LEU 64 OK 76 79 100 96 5.0-5.9 4.4/10246=43...(15) H ARG 81 - QD1 LEU 103 poor 8 40 20 - 5.0-16.0 H LYS 82 - QD1 LEU 103 far 6 58 10 - 5.8-16.4 Violated in 0 structures by 0.00 A. Peak 10248 from cnoeabs.peaks (8.74, 0.74, 24.36 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: H LYS 82 + QD1 LEU 64 OK 94 95 100 100 1.9-3.2 7328=78, 10939/2.1=39...(22) H ARG 81 + QD1 LEU 64 OK 91 92 100 99 2.6-3.5 4.2/10762=47...(29) Violated in 0 structures by 0.00 A. Peak 10249 from cnoeabs.peaks (8.19, 3.75, 58.94 ppm; 4.95 A): 1 out of 2 assignments used, quality = 1.00: H LYS 68 + HA LEU 64 OK 100 100 100 100 3.8-4.6 7099=100, 2985/2981=82...(12) H HIS 106 - HA LEU 64 far 0 70 0 - 7.7-22.2 Violated in 0 structures by 0.00 A. Peak 10250 from cnoeabs.peaks (8.39, 2.11, 41.70 ppm; 5.99 A): 2 out of 3 assignments used, quality = 1.00: H GLU 63 + HB2 LEU 64 OK 99 99 100 100 4.3-4.7 7025/7049=77...(13) H GLU 62 + HB2 LEU 64 OK 98 99 100 100 4.5-5.3 3.6/9449=97...(13) H THR 80 - HB2 LEU 64 far 0 90 0 - 7.7-8.8 Violated in 0 structures by 0.00 A. Peak 10251 from cnoeabs.peaks (8.40, 1.49, 41.70 ppm; 5.48 A): 3 out of 3 assignments used, quality = 1.00: H GLU 63 + HB3 LEU 64 OK 96 96 100 100 5.2-6.0 4.0/10747=71...(15) H GLU 62 + HB3 LEU 64 OK 94 100 95 100 5.5-7.0 10735/2825=60, 10739=54...(14) H THR 80 + HB3 LEU 64 OK 30 95 35 90 6.5-7.8 ~10756=46, 9715/3.1=34...(9) Violated in 0 structures by 0.00 A. Peak 10252 from cnoeabs.peaks (1.34, 0.86, 25.46 ppm; 3.57 A): 1 out of 17 assignments used, quality = 1.00: HB2 LYS 82 + QD2 LEU 64 OK 100 100 100 100 1.9-3.1 10254/2.1=52...(27) HG3 LYS 68 - QD2 LEU 64 far 10 100 10 - 3.8-7.1 HG3 LYS 68 - QD1 LEU 103 far 6 59 10 - 3.7-18.5 QB ALA 67 - QD2 LEU 64 far 0 100 0 - 5.7-6.4 QB ALA 89 - QD1 LEU 103 far 0 59 0 - 6.2-14.9 HG3 LYS 94 - QD1 LEU 103 far 0 30 0 - 6.3-16.4 QB ALA 67 - QD1 LEU 103 far 0 59 0 - 7.0-16.3 HG2 LYS 94 - QD1 LEU 103 far 0 59 0 - 7.3-16.8 HB2 LYS 82 - QD1 LEU 103 far 0 60 0 - 7.6-18.1 QB ALA 25 - QD1 LEU 103 far 0 59 0 - 8.1-13.6 HG12 ILE 8 - QD2 LEU 64 far 0 92 0 - 8.2-10.0 QB ALA 89 - QD2 LEU 64 far 0 100 0 - 9.1-9.9 HB2 LEU 70 - QD2 LEU 64 far 0 84 0 - 9.5-11.0 HB2 LEU 70 - QD1 LEU 103 far 0 44 0 - 9.7-21.6 HG LEU 14 - QD1 LEU 103 far 0 58 0 - 9.7-19.7 HB3 LEU 27 - QD1 LEU 103 far 0 60 0 - 9.9-14.9 HG12 ILE 8 - QD1 LEU 103 far 0 50 0 - 9.9-20.4 Violated in 0 structures by 0.00 A. Peak 10253 from cnoeabs.peaks (1.77, 0.86, 25.46 ppm; 4.07 A): 2 out of 10 assignments used, quality = 1.00: HB3 LYS 82 + QD2 LEU 64 OK 100 100 100 100 2.7-4.5 1.8/10252=88, 9758=84...(26) HB3 GLU 63 + QD2 LEU 64 OK 31 99 35 89 5.2-7.6 10747/3.1=49...(9) HB VAL 78 - QD1 LEU 103 far 0 57 0 - 6.2-15.2 HB ILE 56 - QD2 LEU 64 far 0 100 0 - 6.4-7.6 HB ILE 93 - QD1 LEU 103 far 0 34 0 - 6.4-14.1 HB ILE 56 - QD1 LEU 103 far 0 59 0 - 6.6-16.6 HB2 LYS 66 - QD2 LEU 64 far 0 100 0 - 7.3-8.6 HB3 LYS 82 - QD1 LEU 103 far 0 59 0 - 7.5-18.2 HD2 LYS 90 - QD1 LEU 103 far 0 39 0 - 9.9-18.8 HB VAL 78 - QD2 LEU 64 far 0 99 0 - 10.0-11.2 Violated in 5 structures by 0.03 A. Peak 10254 from cnoeabs.peaks (1.34, 0.74, 24.36 ppm; 3.40 A): 2 out of 6 assignments used, quality = 0.99: HB2 LYS 82 + QD1 LEU 64 OK 99 100 100 99 2.2-3.4 10252/2.1=62...(25) QB ALA 67 + QD1 LEU 64 OK 37 100 40 93 4.4-5.3 2981/2843=44...(24) HG3 LYS 68 - QD1 LEU 64 poor 20 99 20 - 2.5-6.0 HG12 ILE 8 - QD1 LEU 64 far 0 85 0 - 6.5-8.6 QB ALA 89 - QD1 LEU 64 far 0 100 0 - 7.9-8.9 HB2 LEU 70 - QD1 LEU 64 far 0 75 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 10255 from cnoeabs.peaks (1.77, 0.74, 24.36 ppm; 4.24 A): 3 out of 7 assignments used, quality = 1.00: HB3 LYS 82 + QD1 LEU 64 OK 99 99 100 100 2.7-4.9 9758/2.1=71...(24) HB ILE 56 + QD1 LEU 64 OK 90 99 100 91 3.8-5.1 9729/10762=53...(10) HB3 GLU 63 + QD1 LEU 64 OK 23 100 25 92 5.5-7.0 10747/3.1=54...(12) HB2 GLU 104 - QD1 LEU 64 far 3 65 5 - 5.6-14.8 HB2 LYS 66 - QD1 LEU 64 far 0 100 0 - 7.3-8.4 HB VAL 78 - QD1 LEU 64 far 0 100 0 - 7.4-8.7 HB2 GLU 88 - QD1 LEU 64 far 0 65 0 - 8.2-10.7 Violated in 0 structures by 0.00 A. Peak 10256 from cnoeabs.peaks (0.97, 1.64, 25.26 ppm; 4.35 A): 1 out of 4 assignments used, quality = 1.00: QG2 THR 80 + HG2 LYS 68 OK 100 100 100 100 2.9-4.4 12321/1.8=80...(23) HG LEU 55 - HG2 LYS 68 far 0 99 0 - 9.4-13.1 QG1 VAL 83 - HG2 LYS 68 far 0 65 0 - 9.5-12.7 QG2 VAL 83 - HG2 LYS 68 far 0 99 0 - 9.6-12.6 Violated in 1 structures by 0.00 A. Peak 10258 from cnoeabs.peaks (0.97, 1.87, 32.18 ppm; 5.30 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 80 + HB3 LYS 68 OK 99 99 100 100 2.2-3.8 12321/2.9=87...(31) QG2 THR 80 - HB3 LYS 39 far 0 95 0 - 8.6-10.8 QG2 VAL 5 - HB2 LYS 20 far 0 71 0 - 9.5-10.5 HB2 ARG 81 - HB3 LYS 68 far 0 63 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10259 from cnoeabs.peaks (0.98, 1.84, 32.18 ppm; 5.09 A): 1 out of 11 assignments used, quality = 1.00: QG2 THR 80 + HB2 LYS 68 OK 100 100 100 100 1.8-5.0 10256/2.9=80...(22) QG2 VAL 83 - HB2 LYS 90 far 0 55 0 - 6.8-8.2 QG1 VAL 83 - HB2 LYS 90 far 0 47 0 - 7.2-8.2 QG2 VAL 83 - HB3 LYS 90 far 0 89 0 - 7.3-8.9 QG2 VAL 5 - HB3 LYS 90 far 0 60 0 - 7.4-8.4 QG2 VAL 5 - HB2 LYS 90 far 0 34 0 - 7.6-9.0 QG1 VAL 83 - HB3 LYS 90 far 0 79 0 - 7.9-8.5 QG2 THR 80 - HB3 LYS 39 far 0 73 0 - 8.6-10.8 HG LEU 55 - HB2 LYS 68 far 0 93 0 - 8.9-12.7 QG1 VAL 83 - HB2 LYS 68 far 0 82 0 - 9.4-12.1 QG2 VAL 83 - HB2 LYS 68 far 0 92 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 10260 from cnoeabs.peaks (0.97, 3.81, 59.95 ppm; 4.14 A): 1 out of 6 assignments used, quality = 0.98: QG2 THR 80 + HA LYS 68 OK 98 99 100 100 2.0-3.9 9529/2.9=63...(25) QG2 VAL 5 - HA ARG 19 far 0 87 0 - 5.8-6.7 HG LEU 55 - HA LYS 68 far 0 100 0 - 9.2-10.7 QG2 VAL 83 - HA ARG 19 far 0 99 0 - 9.3-10.2 HG LEU 55 - HA ARG 19 far 0 99 0 - 9.7-11.2 HB2 ARG 81 - HA LYS 68 far 0 63 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10261 from cnoeabs.peaks (0.98, 1.65, 29.52 ppm; 5.46 A): 2 out of 8 assignments used, quality = 1.00: QG2 THR 80 + HD3 LYS 68 OK 100 100 100 100 3.2-5.1 10256/3.0=86...(25) QG2 THR 80 + HD2 LYS 68 OK 100 100 100 100 4.4-5.6 10256/3.0=86...(23) QG2 VAL 5 - HD2 LYS 94 far 0 29 0 - 7.1-8.5 QG1 VAL 83 - HD2 LYS 94 far 0 40 0 - 8.7-12.3 QG2 THR 80 - HD2 LYS 39 far 0 95 0 - 9.1-11.4 QG2 VAL 83 - HD2 LYS 94 far 0 46 0 - 9.5-12.9 HG LEU 55 - HD3 LYS 68 far 0 93 0 - 9.6-12.0 QG2 VAL 5 - HD2 LYS 20 far 0 22 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 10263 from cnoeabs.peaks (0.84, 1.65, 29.52 ppm; 3.48 A): 5 out of 41 assignments used, quality = 0.96: QD1 LEU 70 + HD2 LYS 39 OK 58 82 100 70 1.9-4.3 12071=14, 10569/3.0=13...(20) QD2 LEU 64 + HD3 LYS 68 OK 52 85 65 93 3.2-5.9 10242=45, 12320/3.0=31...(27) QD1 LEU 70 + HD3 LYS 39 OK 51 76 100 68 2.6-4.7 10569/3.0=13, 12071=13...(18) QD2 LEU 70 + HD3 LYS 39 OK 42 63 95 70 2.7-5.7 10822/4.9=18, ~10569=17...(16) QD2 LEU 70 + HD2 LYS 39 OK 29 69 60 71 2.1-6.0 10822/4.9=18, ~10569=17...(17) QD1 LEU 38 - HD2 LYS 39 poor 9 80 40 28 4.1-7.6 1665/6.0=12, 4.5/8852=6...(7) QD2 LEU 64 - HD2 LYS 68 far 9 85 10 - 4.3-6.9 QD1 LEU 103 - HD3 LYS 68 far 8 82 10 - 4.4-16.4 QD1 LEU 38 - HD3 LYS 39 poor 6 74 40 21 4.2-8.1 1665/6.0=12, 12070/1.8=4...(4) QD1 LEU 103 - HD2 LYS 68 far 4 82 5 - 4.8-16.7 QD2 LEU 103 - HD3 LYS 68 far 0 98 0 - 5.4-16.9 QD2 LEU 38 - HD2 LYS 39 far 0 90 0 - 5.6-7.7 QD2 LEU 38 - HD3 LYS 39 far 0 83 0 - 5.9-8.2 QG2 ILE 15 - HD2 LYS 20 far 0 30 0 - 6.2-8.2 QD2 LEU 103 - HD2 LYS 68 far 0 99 0 - 6.2-17.0 QD1 ILE 76 - HD3 LYS 39 far 0 51 0 - 6.4-8.1 QD1 ILE 76 - HD3 LYS 47 far 0 23 0 - 6.5-8.9 QG2 ILE 15 - HD3 LYS 20 far 0 34 0 - 6.5-8.8 QD1 ILE 76 - HD2 LYS 47 far 0 24 0 - 6.8-9.2 QD2 LEU 2 - HD3 LYS 47 far 0 30 0 - 6.8-12.7 QD1 ILE 76 - HD2 LYS 39 far 0 56 0 - 6.9-8.9 QD1 LEU 70 - HD2 LYS 68 far 0 90 0 - 7.3-10.0 QD2 LEU 70 - HD2 LYS 68 far 0 77 0 - 7.6-8.8 QD1 LEU 57 - HD2 LYS 94 far 0 54 0 - 7.9-10.9 QD2 LEU 70 - HD3 LYS 68 far 0 77 0 - 7.9-9.3 QD2 LEU 2 - HD2 LYS 47 far 0 32 0 - 8.1-13.4 QD1 LEU 38 - HD2 LYS 68 far 0 88 0 - 8.1-10.4 QD2 LEU 38 - HD3 LYS 68 far 0 96 0 - 8.1-10.6 QD1 LEU 38 - HD3 LYS 68 far 0 88 0 - 8.1-9.5 QG2 VAL 32 - HD3 LYS 39 far 0 89 0 - 8.3-10.0 QG2 VAL 32 - HD2 LYS 39 far 0 95 0 - 8.3-9.7 QG2 ILE 7 - HD2 LYS 20 far 0 20 0 - 8.4-10.2 QD1 LEU 57 - HD3 LYS 68 far 0 99 0 - 8.4-10.5 QD1 LEU 70 - HD3 LYS 68 far 0 89 0 - 8.5-9.8 QD2 LEU 38 - HD2 LYS 68 far 0 96 0 - 8.7-10.4 QG2 ILE 7 - HD3 LYS 20 far 0 23 0 - 8.7-11.1 QD1 LEU 103 - HD2 LYS 94 far 0 40 0 - 8.7-16.7 QD2 LEU 103 - HD2 LYS 94 far 0 53 0 - 8.7-15.4 QD1 ILE 76 - HD2 LYS 68 far 0 63 0 - 9.3-12.0 QD1 ILE 76 - HD3 LYS 68 far 0 63 0 - 9.6-11.8 QD1 LEU 57 - HD2 LYS 68 far 0 99 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 10264 from cnoeabs.peaks (0.75, 1.65, 29.52 ppm; 3.59 A): 3 out of 62 assignments used, quality = 0.99: QD1 LEU 64 + HD3 LYS 68 OK 97 100 100 97 3.4-3.9 2.1/10242=43, 10243=34...(32) QD1 LEU 64 + HD2 LYS 68 OK 47 100 50 95 4.6-5.4 10243=32, ~10242=29...(33) QG2 ILE 93 + HD2 LYS 94 OK 41 56 100 73 4.1-4.8 12249/4.7=23...(18) QG2 VAL 78 - HD3 LYS 68 poor 17 85 20 - 4.2-6.8 QG2 VAL 78 - HD2 LYS 68 far 13 85 15 - 4.7-7.5 QD1 ILE 93 - HD2 LYS 94 far 7 44 15 - 5.0-7.1 QD1 LEU 27 - HD2 LYS 94 far 4 45 10 - 4.6-7.4 QD1 ILE 56 - HD3 LYS 68 far 0 59 0 - 5.9-9.1 QD2 LEU 27 - HD2 LYS 94 far 0 49 0 - 5.9-9.6 QD1 ILE 93 - HD2 LYS 20 far 0 34 0 - 6.2-8.8 HG13 ILE 93 - HD2 LYS 94 far 0 56 0 - 6.3-8.4 QG1 VAL 58 - HD3 LYS 68 far 0 84 0 - 6.4-8.1 QD1 ILE 56 - HD2 LYS 68 far 0 59 0 - 6.4-9.9 HG13 ILE 56 - HD3 LYS 68 far 0 73 0 - 6.5-10.5 QD1 ILE 93 - HD3 LYS 20 far 0 39 0 - 6.7-8.4 QG1 VAL 78 - HD3 LYS 68 far 0 100 0 - 6.7-9.1 QG1 VAL 78 - HD2 LYS 68 far 0 100 0 - 6.9-9.7 QD2 LEU 42 - HD2 LYS 39 far 0 84 0 - 6.9-9.0 QD2 LEU 42 - HD3 LYS 39 far 0 78 0 - 7.0-8.7 QD2 LEU 42 - HD3 LYS 68 far 0 92 0 - 7.4-10.1 QD1 ILE 8 - HD3 LYS 68 far 0 63 0 - 7.5-9.3 HG13 ILE 56 - HD2 LYS 68 far 0 73 0 - 7.5-11.3 QG2 ILE 93 - HD2 LYS 20 far 0 44 0 - 7.5-10.1 QG1 VAL 5 - HD2 LYS 94 far 0 46 0 - 7.6-8.9 QD2 LEU 42 - HD2 LYS 68 far 0 92 0 - 7.6-10.7 QG1 VAL 58 - HD2 LYS 68 far 0 84 0 - 7.6-8.7 QG2 ILE 52 - HD3 LYS 47 far 0 28 0 - 7.7-10.1 QD2 LEU 14 - HD3 LYS 20 far 0 24 0 - 7.8-10.7 QD1 LEU 6 - HD2 LYS 39 far 0 79 0 - 8.0-11.2 QD2 LEU 14 - HD2 LYS 20 far 0 21 0 - 8.0-9.9 HG3 ARG 81 - HD3 LYS 68 far 0 100 0 - 8.0-10.9 QD1 ILE 8 - HD2 LYS 39 far 0 56 0 - 8.1-10.6 QD1 LEU 6 - HD3 LYS 39 far 0 73 0 - 8.1-11.1 QG2 ILE 93 - HD3 LYS 20 far 0 49 0 - 8.3-9.8 QD1 ILE 56 - HD3 LYS 39 far 0 48 0 - 8.3-11.2 QD1 ILE 15 - HD2 LYS 20 far 0 41 0 - 8.5-10.2 QD1 ILE 8 - HD2 LYS 68 far 0 63 0 - 8.5-9.7 QD1 ILE 8 - HD3 LYS 39 far 0 51 0 - 8.6-11.1 QD1 ILE 56 - HD2 LYS 39 far 0 53 0 - 8.6-11.4 QG2 ILE 52 - HD2 LYS 47 far 0 29 0 - 8.7-10.0 QG1 VAL 54 - HD3 LYS 68 far 0 96 0 - 8.7-11.2 QD1 ILE 15 - HD3 LYS 20 far 0 46 0 - 8.7-10.7 QG1 VAL 5 - HD2 LYS 20 far 0 36 0 - 8.9-10.4 QG1 VAL 78 - HD2 LYS 39 far 0 96 0 - 8.9-11.0 QG1 VAL 78 - HD3 LYS 39 far 0 90 0 - 9.0-10.3 QG2 VAL 78 - HD2 LYS 39 far 0 78 0 - 9.1-11.4 QD2 LEU 42 - HD3 LYS 47 far 0 38 0 - 9.2-11.9 QD1 LEU 6 - HD3 LYS 68 far 0 87 0 - 9.2-12.8 QG1 VAL 5 - HD3 LYS 20 far 0 41 0 - 9.2-10.9 QG1 VAL 54 - HD2 LYS 68 far 0 96 0 - 9.4-12.0 QD1 LEU 6 - HD2 LYS 68 far 0 87 0 - 9.4-13.9 HG13 ILE 93 - HD2 LYS 20 far 0 44 0 - 9.5-12.9 QG1 VAL 54 - HD2 LYS 39 far 0 90 0 - 9.5-12.0 QG1 VAL 54 - HD3 LYS 47 far 0 41 0 - 9.6-12.9 QG2 VAL 78 - HD3 LYS 39 far 0 71 0 - 9.6-10.7 QD2 LEU 42 - HD2 LYS 47 far 0 40 0 - 9.6-11.9 QG1 VAL 54 - HD3 LYS 39 far 0 83 0 - 9.7-11.8 HG3 ARG 81 - HD2 LYS 68 far 0 100 0 - 9.8-12.6 QD1 LEU 27 - HD2 LYS 20 far 0 35 0 - 9.8-11.7 HG13 ILE 15 - HD2 LYS 20 far 0 43 0 - 9.8-11.9 QG1 VAL 78 - HD3 LYS 47 far 0 46 0 - 9.9-12.6 QG1 VAL 54 - HD2 LYS 47 far 0 43 0 - 9.9-12.7 Violated in 3 structures by 0.00 A. Peak 10265 from cnoeabs.peaks (0.75, 2.91, 41.80 ppm; 4.47 A): 3 out of 60 assignments used, quality = 1.00: QD1 LEU 64 + HE3 LYS 68 OK 98 99 100 99 3.0-5.8 9484=47, 10264/3.0=41...(31) QD1 LEU 64 + HE2 LYS 68 OK 98 99 100 99 3.1-5.9 9484=46, 10264/3.0=41...(30) QG2 ILE 93 + HE2 LYS 94 OK 24 96 30 85 4.7-6.9 12249/6.0=26...(15) QG2 VAL 78 - HE2 LYS 68 poor 20 79 25 - 5.6-7.5 QG2 ILE 93 - HE3 LYS 94 far 15 100 15 - 5.6-6.8 QG2 VAL 78 - HE3 LYS 68 poor 10 79 45 29 4.8-7.4 8509/6.3=9, 10194/3.6=7...(7) QD1 ILE 93 - HE3 LYS 90 far 5 53 10 - 5.6-7.4 QD1 LEU 27 - HE2 LYS 94 far 4 87 5 - 5.6-9.0 QG2 ILE 8 - HE2 LYS 66 far 0 57 0 - 6.1-9.6 QG2 ILE 8 - HE3 LYS 66 far 0 63 0 - 6.2-8.8 QD1 ILE 93 - HE2 LYS 94 far 0 86 0 - 6.5-7.9 QD1 ILE 93 - HE3 LYS 20 far 0 92 0 - 6.5-8.8 QD1 ILE 93 - HE3 LYS 94 far 0 93 0 - 6.5-8.2 QD1 LEU 27 - HE3 LYS 94 far 0 94 0 - 6.7-9.1 QD1 ILE 93 - HE2 LYS 20 far 0 92 0 - 6.9-8.7 QG1 VAL 58 - HE2 LYS 68 far 0 77 0 - 7.0-9.5 QG2 ILE 93 - HE3 LYS 90 far 0 63 0 - 7.1-9.2 QG1 VAL 58 - HE2 LYS 66 far 0 68 0 - 7.1-9.2 QG1 VAL 78 - HE3 LYS 68 far 0 100 0 - 7.1-9.8 QG1 VAL 58 - HE3 LYS 66 far 0 74 0 - 7.2-8.8 QD2 LEU 27 - HE2 LYS 94 far 0 83 0 - 7.3-11.1 QG1 VAL 58 - HE3 LYS 68 far 0 77 0 - 7.3-9.4 QG1 VAL 78 - HE2 LYS 68 far 0 100 0 - 7.6-10.0 HG13 ILE 56 - HE2 LYS 68 far 0 65 0 - 7.8-11.7 QG2 ILE 93 - HE3 LYS 20 far 0 100 0 - 7.8-10.1 HG3 ARG 81 - HE2 LYS 68 far 0 98 0 - 7.8-13.1 HG13 ILE 93 - HE2 LYS 94 far 0 94 0 - 8.0-9.9 HG13 ILE 56 - HE3 LYS 68 far 0 65 0 - 8.0-11.8 QD1 LEU 64 - HE3 LYS 66 far 0 98 0 - 8.0-10.4 QG2 ILE 93 - HE2 LYS 20 far 0 100 0 - 8.1-9.7 QD1 ILE 15 - HE3 LYS 20 far 0 98 0 - 8.1-11.7 QD1 ILE 15 - HE3 LYS 90 far 0 61 0 - 8.2-12.2 HG13 ILE 93 - HE3 LYS 94 far 0 99 0 - 8.2-9.9 QD2 LEU 27 - HE3 LYS 94 far 0 90 0 - 8.2-11.3 QD2 LEU 42 - HE3 LYS 66 far 0 93 0 - 8.3-11.2 QG1 VAL 5 - HE3 LYS 20 far 0 86 0 - 8.4-11.4 QD2 LEU 42 - HE3 LYS 68 far 0 96 0 - 8.4-10.8 HG3 ARG 81 - HE3 LYS 68 far 0 99 0 - 8.4-12.7 QD2 LEU 42 - HE2 LYS 66 far 0 87 0 - 8.6-11.6 QG1 VAL 5 - HE2 LYS 94 far 0 79 0 - 8.7-10.9 QD1 LEU 64 - HE2 LYS 66 far 0 92 0 - 8.7-10.9 HG13 ILE 93 - HE3 LYS 90 far 0 61 0 - 8.8-10.6 QD1 ILE 15 - HE2 LYS 20 far 0 99 0 - 8.9-11.8 QD2 LEU 42 - HE2 LYS 68 far 0 95 0 - 8.9-11.0 QD1 LEU 6 - HE3 LYS 66 far 0 89 0 - 9.0-13.5 QG1 VAL 5 - HE3 LYS 94 far 0 86 0 - 9.0-10.7 QG2 VAL 78 - HE2 LYS 66 far 0 70 0 - 9.1-11.8 QD1 LEU 6 - HE2 LYS 66 far 0 83 0 - 9.1-14.2 QG1 VAL 5 - HE3 LYS 90 far 0 48 0 - 9.2-10.4 QG2 VAL 78 - HE3 LYS 66 far 0 76 0 - 9.2-11.2 QG1 VAL 5 - HE2 LYS 20 far 0 86 0 - 9.3-11.6 HG13 ILE 15 - HE3 LYS 20 far 0 99 0 - 9.3-13.5 QG1 VAL 54 - HE3 LYS 68 far 0 99 0 - 9.4-12.6 QD1 LEU 27 - HE3 LYS 20 far 0 93 0 - 9.6-11.2 HG13 ILE 93 - HE3 LYS 20 far 0 99 0 - 9.6-12.9 HG13 ILE 56 - HE2 LYS 66 far 0 57 0 - 9.7-14.0 QD1 LEU 27 - HE2 LYS 20 far 0 93 0 - 9.7-11.5 QG1 VAL 54 - HE2 LYS 68 far 0 98 0 - 9.8-13.3 QD1 LEU 6 - HE3 LYS 68 far 0 92 0 - 9.9-13.4 HG13 ILE 56 - HE3 LYS 66 far 0 63 0 - 10.0-13.2 Violated in 0 structures by 0.00 A. Peak 10266 from cnoeabs.peaks (4.28, 1.65, 29.52 ppm; 3.94 A): 4 out of 9 assignments used, quality = 1.00: HA ASP 36 + HD2 LYS 39 OK 93 95 100 98 1.9-4.3 10560/3.6=51...(27) HA ASP 36 + HD3 LYS 39 OK 87 89 100 98 1.9-5.0 10560/3.6=51...(26) HA ASP 65 + HD2 LYS 68 OK 70 77 95 96 3.0-5.7 10268/3.0=30...(26) HA ASP 65 + HD3 LYS 68 OK 67 77 90 97 2.5-5.9 10268/3.0=30...(28) HA LEU 103 - HD3 LYS 68 far 0 94 0 - 7.7-17.9 HA LEU 103 - HD2 LYS 68 far 0 94 0 - 8.5-18.0 HA SER 49 - HD3 LYS 47 far 0 21 0 - 8.7-10.8 HA SER 49 - HD2 LYS 47 far 0 23 0 - 9.7-11.0 HA LEU 103 - HD2 LYS 94 far 0 48 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 10267 from cnoeabs.peaks (4.30, 1.35, 25.26 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: HA ASP 65 + HG3 LYS 68 OK 99 99 100 100 3.2-4.6 10268/1.8=76...(22) HA ASP 36 + HG2 LYS 39 OK 60 60 100 100 2.4-5.6 10560/3.0=68...(28) HA LEU 103 - HG3 LYS 68 far 0 100 0 - 7.3-20.2 Violated in 0 structures by 0.00 A. Peak 10268 from cnoeabs.peaks (4.30, 1.64, 25.26 ppm; 5.20 A): 1 out of 2 assignments used, quality = 0.99: HA ASP 65 + HG2 LYS 68 OK 99 99 100 100 3.0-4.9 7100/3021=75...(25) HA LEU 103 - HG2 LYS 68 far 0 100 0 - 8.6-20.2 Violated in 0 structures by 0.00 A. Peak 10269 from cnoeabs.peaks (3.19, 3.81, 59.95 ppm; 4.93 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 19 + HA ARG 19 OK 96 96 100 100 3.3-4.7 3.0/782=86, 3.0/809=83...(27) HD3 ARG 19 + HA ARG 19 OK 96 96 100 100 4.0-5.3 3.0/782=86, 3.0/809=83...(28) HB2 HIS 106 - HA LYS 68 far 0 100 0 - 8.7-22.3 Violated in 0 structures by 0.00 A. Peak 10270 from cnoeabs.peaks (4.30, 2.91, 41.80 ppm; 4.97 A): 3 out of 12 assignments used, quality = 1.00: HA ASP 65 + HE3 LYS 68 OK 97 98 100 99 2.0-5.6 10268/3.6=57...(22) HA ASP 65 + HE2 LYS 68 OK 97 98 100 99 2.1-6.1 10268/3.6=57...(22) HA ASP 65 + HE3 LYS 66 OK 21 96 35 62 5.1-8.7 3.6/7076=33...(8) HA ASP 65 - HE2 LYS 66 far 9 91 10 - 6.1-8.9 HA LEU 103 - HE3 LYS 68 far 5 100 5 - 5.5-18.8 HA LEU 103 - HE2 LYS 68 far 5 100 5 - 6.5-17.0 HA ASP 36 - HE3 LYS 66 far 0 96 0 - 6.7-11.0 HA ASP 36 - HE2 LYS 66 far 0 91 0 - 7.0-11.7 HA LEU 103 - HE3 LYS 94 far 0 100 0 - 8.8-18.8 HA LEU 103 - HE2 LYS 94 far 0 96 0 - 9.1-18.4 HA GLU 28 - HE3 LYS 20 far 0 98 0 - 9.1-12.8 HA GLU 28 - HE2 LYS 20 far 0 99 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 10271 from cnoeabs.peaks (0.73, 0.89, 27.84 ppm; 4.19 A): 3 out of 13 assignments used, quality = 1.00: QD2 LEU 14 + HG13 ILE 7 OK 91 93 100 98 1.8-3.1 10273/1.8=43, ~11079=40...(27) HG13 ILE 15 + HG13 ILE 7 OK 82 82 100 100 3.3-5.0 10118=61, ~8469=51...(32) QD1 ILE 15 + HG13 ILE 7 OK 73 73 100 100 3.8-5.5 2.1/10118=64...(33) QG1 VAL 5 - HG13 ILE 7 poor 20 100 20 - 5.0-6.1 QG1 VAL 58 - HG13 ILE 7 far 10 100 10 - 5.0-6.7 QD1 ILE 8 - HG13 ILE 7 far 9 94 10 - 5.2-7.3 QD1 ILE 56 - HG13 ILE 7 far 0 92 0 - 7.0-9.7 HG13 ILE 93 - HG13 ILE 7 far 0 96 0 - 7.1-8.5 HG13 ILE 56 - HG13 ILE 7 far 0 98 0 - 8.2-10.8 QG2 ILE 93 - HG13 ILE 7 far 0 88 0 - 8.3-9.1 QD1 LEU 64 - HG13 ILE 7 far 0 97 0 - 8.6-10.6 QG1 VAL 54 - HG13 ILE 7 far 0 70 0 - 8.6-10.3 QD2 LEU 42 - HG13 ILE 7 far 0 59 0 - 9.8-11.5 Violated in 0 structures by 0.00 A. Peak 10272 from cnoeabs.peaks (0.71, 0.62, 13.69 ppm; 3.12 A): 3 out of 17 assignments used, quality = 0.99: QD2 LEU 14 + QD1 ILE 7 OK 92 100 100 92 2.1-3.0 8413/8261=27...(30) QG1 VAL 5 + QD1 ILE 7 OK 58 98 100 60 2.9-3.4 10196/3.2=11...(20) QD1 LEU 14 + QD1 ILE 7 OK 56 65 100 86 2.7-3.6 2.1/11079=25, ~10273=14...(29) HG13 ILE 93 - QD1 ILE 7 poor 16 77 70 30 4.2-5.2 ~10999=14, 2.1/276=7...(6) QD1 ILE 8 - QD1 ILE 7 far 0 100 0 - 4.8-6.7 QG2 ILE 93 - QD1 ILE 7 far 0 63 0 - 5.2-5.9 QD2 LEU 6 - QD1 ILE 7 far 0 82 0 - 5.4-6.6 QG1 VAL 58 - QD1 ILE 7 far 0 100 0 - 5.5-6.0 QD1 ILE 56 - QD1 ILE 7 far 0 100 0 - 5.5-7.6 QG2 VAL 58 - QD1 ILE 7 far 0 61 0 - 6.4-6.7 HG13 ILE 56 - QD1 ILE 7 far 0 100 0 - 6.4-8.7 HG3 ARG 81 - QD1 ILE 7 far 0 84 0 - 7.5-9.3 QD1 LEU 64 - QD1 ILE 7 far 0 81 0 - 7.8-8.5 QD2 LEU 27 - QD1 ILE 7 far 0 96 0 - 8.4-9.4 QG2 VAL 78 - QD1 ILE 7 far 0 99 0 - 9.0-9.8 QD1 LEU 42 - QD1 ILE 7 far 0 85 0 - 9.7-10.6 QG1 VAL 78 - QD1 ILE 7 far 0 73 0 - 9.8-10.4 Violated in 0 structures by 0.00 A. Peak 10273 from cnoeabs.peaks (0.72, 1.42, 27.84 ppm; 3.67 A): 3 out of 12 assignments used, quality = 0.99: QD2 LEU 14 + HG12 ILE 7 OK 96 99 100 97 1.8-3.0 12015=49, 10272/2.1=33...(27) HG13 ILE 15 + HG12 ILE 7 OK 55 65 85 98 3.5-5.3 ~8469=39, ~12024=30...(28) QG1 VAL 58 + HG12 ILE 7 OK 22 100 45 50 5.0-6.5 10714/8246=19...(7) QG1 VAL 5 - HG12 ILE 7 poor 19 99 30 63 5.0-5.7 10272/2.1=21...(12) QD1 ILE 8 - HG12 ILE 7 far 5 99 5 - 4.1-7.1 QD1 ILE 56 - HG12 ILE 7 far 0 99 0 - 6.0-8.4 HG13 ILE 56 - HG12 ILE 7 far 0 100 0 - 6.8-11.0 HG13 ILE 93 - HG12 ILE 7 far 0 85 0 - 6.9-8.0 QD2 LEU 6 - HG12 ILE 7 far 0 73 0 - 6.9-7.7 QD1 LEU 64 - HG12 ILE 7 far 0 88 0 - 8.1-10.3 QG2 ILE 93 - HG12 ILE 7 far 0 73 0 - 8.1-8.9 HG3 ARG 81 - HG12 ILE 7 far 0 91 0 - 9.1-12.3 Violated in 0 structures by 0.00 A. Peak 10274 from cnoeabs.peaks (1.99, 1.72, 41.70 ppm; 5.17 A): 3 out of 8 assignments used, quality = 1.00: QE MET 74 + HB3 LEU 70 OK 99 99 100 100 1.9-4.6 9605/9544=81...(16) HB2 LYS 73 + HB3 LEU 70 OK 64 65 100 98 4.0-4.6 ~10813=44, ~12297=36...(17) HB3 LYS 73 + HB3 LEU 70 OK 62 63 100 98 5.4-6.1 ~10813=44, ~12297=36...(15) HB3 MET 74 - HB3 LEU 70 poor 20 75 45 58 5.7-7.0 10342/9544=24...(7) HB2 GLU 35 - HB3 LEU 70 far 10 97 10 - 6.3-7.8 HB3 ARG 46 - HB3 LEU 70 far 0 70 0 - 8.6-12.0 HB2 GLU 37 - HB3 LEU 70 far 0 96 0 - 9.0-10.6 HB2 ARG 46 - HB3 LEU 70 far 0 93 0 - 9.0-11.9 Violated in 0 structures by 0.00 A. Peak 10275 from cnoeabs.peaks (2.11, 1.72, 41.70 ppm; 4.92 A): 3 out of 7 assignments used, quality = 0.98: HB2 GLU 69 + HB3 LEU 70 OK 92 98 95 99 5.4-7.1 4.6/3142=68...(25) HB3 GLU 35 + HB3 LEU 70 OK 49 71 75 91 4.5-7.5 ~9549=19, ~9541=17...(23) HB3 GLU 69 + HB3 LEU 70 OK 44 98 45 100 5.6-6.7 4.6/3142=68, ~10802=34...(26) HG2 GLU 69 - HB3 LEU 70 far 5 98 5 - 5.4-8.1 HG3 GLU 37 - HB3 LEU 70 far 0 100 0 - 8.3-10.3 HB3 GLU 37 - HB3 LEU 70 far 0 98 0 - 8.7-10.5 HB2 GLU 75 - HB3 LEU 70 far 0 90 0 - 10.0-11.0 Violated in 6 structures by 0.04 A. Peak 10276 from cnoeabs.peaks (2.00, 1.37, 41.70 ppm; 5.14 A): 1 out of 6 assignments used, quality = 1.00: QE MET 74 + HB2 LEU 70 OK 100 100 100 100 2.8-5.8 10282/3.0=73...(18) HB3 MET 74 - HB2 LEU 70 far 7 65 10 - 6.2-7.6 HB2 GLU 35 - HB2 LEU 70 far 0 99 0 - 6.7-7.9 HB3 ARG 46 - HB2 LEU 70 far 0 59 0 - 8.9-12.4 HB2 GLU 37 - HB2 LEU 70 far 0 91 0 - 8.9-10.8 HB2 ARG 46 - HB2 LEU 70 far 0 87 0 - 9.1-12.1 Violated in 4 structures by 0.06 A. Peak 10277 from cnoeabs.peaks (2.12, 1.37, 41.70 ppm; 4.94 A): 3 out of 7 assignments used, quality = 1.00: HB2 GLU 69 + HB2 LEU 70 OK 99 99 100 100 4.8-6.4 4.6/3133=66...(27) HB3 GLU 69 + HB2 LEU 70 OK 94 99 95 100 4.9-6.5 4.6/3133=66, ~10802=35...(27) HB3 GLU 35 + HB2 LEU 70 OK 43 63 75 91 5.0-7.4 10275/1.8=21, ~9549=19...(21) HG2 GLU 69 - HB2 LEU 70 far 10 99 10 - 5.4-7.3 HG3 GLU 37 - HB2 LEU 70 far 0 99 0 - 8.3-10.5 HB3 GLU 37 - HB2 LEU 70 far 0 99 0 - 8.6-10.7 HB2 GLU 75 - HB2 LEU 70 far 0 94 0 - 10.0-11.4 Violated in 1 structures by 0.01 A. Peak 10278 from cnoeabs.peaks (2.09, 0.81, 24.20 ppm; 4.03 A): 7 out of 18 assignments used, quality = 1.00: HB3 GLU 35 + QD2 LEU 70 OK 94 99 100 95 1.9-4.6 3.0/9541=24, 10527=22...(33) HB2 GLU 69 + QD2 LEU 70 OK 62 65 100 94 2.3-4.7 4.6/3166=38, 3.0/3167=26...(24) HB3 GLU 69 + QD2 LEU 70 OK 59 65 95 95 2.4-5.9 4.6/3166=38, ~10802=30...(21) HG2 GLU 69 + QD2 LEU 70 OK 50 65 95 80 2.5-6.1 3116/3166=22, ~10802=21...(16) HB3 LEU 38 + QD2 LEU 70 OK 48 94 60 86 1.8-7.2 ~10959=16, ~12070=14...(33) HB VAL 83 + QD1 LEU 57 OK 44 47 95 100 3.3-5.6 9804=81, 2.1/9808=46...(27) HB3 GLU 88 + QD1 LEU 57 OK 42 54 90 85 3.5-5.6 4.3/9926=26...(15) HG3 GLU 104 - QD1 LEU 57 far 3 57 5 - 4.8-13.8 HB2 MET 74 - QD2 LEU 70 far 0 81 0 - 6.1-8.4 HG3 GLU 37 - QD2 LEU 70 far 0 93 0 - 6.4-9.2 QE MET 21 - QD1 LEU 57 far 0 57 0 - 6.8-8.1 HB3 GLU 37 - QD2 LEU 70 far 0 68 0 - 6.9-9.5 HB2 LEU 64 - QD1 LEU 57 far 0 47 0 - 7.2-8.5 HB3 GLU 43 - QD2 LEU 70 far 0 84 0 - 7.3-10.4 HB3 PRO 86 - QD1 LEU 57 far 0 53 0 - 7.7-9.9 HB2 PRO 86 - QD1 LEU 57 far 0 39 0 - 7.8-10.1 HB3 GLU 62 - QD2 LEU 70 far 0 100 0 - 8.9-10.2 HB2 LEU 64 - QD2 LEU 70 far 0 90 0 - 9.4-10.5 Violated in 0 structures by 0.00 A. Peak 10279 from cnoeabs.peaks (2.07, 3.85, 55.14 ppm; 4.25 A): 5 out of 14 assignments used, quality = 1.00: HB2 MET 74 + HA ALA 71 OK 99 100 100 99 3.1-5.1 2.9/9552=50, 2.9/9613=48...(15) HB3 LEU 38 + HA ALA 67 OK 64 79 100 81 2.4-4.3 1635=20, 1.8/1627=18...(22) HB2 MET 21 + HA ALA 22 OK 51 53 100 96 3.8-5.5 967/3.0=58, ~6349=28...(23) QE MET 21 + HA ALA 22 OK 37 39 100 97 2.8-4.8 6351/3.0=55, ~6349=25...(23) HG12 ILE 93 + HA ALA 22 OK 32 40 85 95 3.9-6.4 ~11004=35, 3.2/10028=33...(17) HB3 GLU 35 - HA ALA 67 poor 14 75 60 32 4.2-7.4 ~7080=9, 1629/1627=5...(9) HB2 GLU 23 - HA ALA 22 far 0 51 0 - 5.8-6.6 HB3 LEU 38 - HA ALA 71 far 0 100 0 - 5.8-8.9 HG3 GLU 28 - HA ALA 22 far 0 60 0 - 7.3-8.7 HG2 GLU 28 - HA ALA 22 far 0 60 0 - 7.4-9.6 HB3 GLU 43 - HA ALA 71 far 0 100 0 - 8.0-9.4 HB2 MET 74 - HA ALA 67 far 0 79 0 - 8.5-10.3 HB3 GLU 35 - HA ALA 71 far 0 98 0 - 8.9-11.5 HB2 GLU 98 - HA ALA 22 far 0 48 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 10280 from cnoeabs.peaks (2.32, 2.00, 17.28 ppm; 3.61 A): 1 out of 6 assignments used, quality = 0.93: HG3 GLU 43 + QE MET 74 OK 93 100 100 93 1.9-3.4 6696/9585=46...(19) HB2 TYR 41 - QE MET 74 far 0 100 0 - 6.1-7.2 HG3 GLU 44 - QE MET 74 far 0 70 0 - 6.7-9.6 HG3 GLU 69 - QE MET 74 far 0 91 0 - 6.9-10.6 HG2 GLU 48 - QE MET 74 far 0 97 0 - 9.5-11.6 HB2 TYR 4 - QE MET 74 far 0 81 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 10282 from cnoeabs.peaks (4.03, 2.00, 17.28 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.97: HA LEU 70 + QE MET 74 OK 97 99 100 98 3.1-5.4 3.0/10276=60...(19) HA GLU 69 - QE MET 74 far 0 68 0 - 6.4-8.9 HA GLU 75 - QE MET 74 far 0 79 0 - 6.5-7.1 HB2 SER 49 - QE MET 74 far 0 81 0 - 8.7-13.0 Violated in 8 structures by 0.15 A. Peak 10283 from cnoeabs.peaks (1.81, 0.80, 13.65 ppm; 3.81 A): 3 out of 7 assignments used, quality = 1.00: HB2 LEU 42 + QD1 ILE 76 OK 99 100 100 100 2.0-3.0 1.8/10286=69...(37) HG2 ARG 46 + QD1 ILE 76 OK 98 99 100 100 1.9-4.0 9023=63, 1.8/9021=61...(33) HG3 ARG 46 + QD1 ILE 76 OK 82 82 100 100 1.9-4.3 1.8/9023=57, 9021=54...(32) HB VAL 78 - QD1 ILE 76 far 7 70 10 - 5.2-5.9 HB2 LYS 39 - QD1 ILE 76 far 5 96 5 - 5.3-7.4 HB2 LYS 53 - QD1 ILE 76 far 0 82 0 - 8.8-9.8 HB2 LYS 68 - QD1 ILE 76 far 0 87 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 10284 from cnoeabs.peaks (1.83, 1.44, 26.75 ppm; 4.51 A): 5 out of 21 assignments used, quality = 1.00: HG2 ARG 46 + HG13 ILE 76 OK 100 100 100 100 1.9-5.0 9023/2.1=77, ~9021=58...(32) HB2 LEU 42 + HG13 ILE 76 OK 86 91 95 100 4.8-6.1 ~10286=61, ~10599=48...(30) HB3 LYS 90 + HG3 ARG 91 OK 77 89 100 87 4.5-5.8 4.1/7445=38...(16) HB2 LYS 90 + HG3 ARG 91 OK 72 82 100 88 3.3-5.5 4.1/7445=38...(19) HB VAL 5 + HG LEU 29 OK 54 54 100 99 3.1-5.0 8671/2.1=55, ~10500=51...(19) HB3 LYS 66 - HG LEU 38 poor 19 34 80 69 2.9-8.5 ~9517=29, ~9514=14...(14) HB2 LYS 39 - HG LEU 38 poor 17 38 45 - 3.6-7.2 HB3 LYS 39 - HG LEU 38 poor 12 33 35 - 4.7-8.0 HB3 LEU 57 - HG LEU 29 far 4 85 5 - 6.0-7.3 HB2 GLU 88 - HG3 ARG 91 far 4 79 5 - 6.0-6.7 HB2 LEU 42 - HG LEU 38 far 2 47 5 - 5.8-8.4 HB ILE 93 - HG LEU 29 far 0 66 0 - 6.0-9.2 HB2 GLU 104 - HG3 ARG 91 far 0 79 0 - 6.2-20.1 HB ILE 93 - HG3 ARG 91 far 0 71 0 - 6.6-7.3 HB2 LYS 90 - HG LEU 29 far 0 77 0 - 6.7-11.8 HB3 LYS 90 - HG LEU 29 far 0 84 0 - 6.7-11.0 HB2 LYS 68 - HG LEU 38 far 0 55 0 - 7.5-10.3 HB3 LYS 39 - HG13 ILE 76 far 0 70 0 - 7.7-9.4 HB2 LYS 39 - HG13 ILE 76 far 0 77 0 - 8.5-10.8 HB3 LEU 57 - HG LEU 38 far 0 57 0 - 9.3-13.2 HB3 LEU 57 - HG3 ARG 91 far 0 89 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 10285 from cnoeabs.peaks (1.29, 1.44, 26.75 ppm; 4.30 A): 2 out of 6 assignments used, quality = 0.98: HB3 LEU 42 + HG13 ILE 76 OK 96 96 100 100 4.1-4.9 10883/3.2=52, ~10599=43...(34) HG2 LYS 90 + HG3 ARG 91 OK 59 90 75 88 2.1-5.9 7435/4.8=42, ~4039=18...(18) HG2 ARG 30 - HG LEU 29 poor 19 84 25 89 5.5-8.0 6485/6479=44...(14) HB3 LEU 42 - HG LEU 38 far 0 52 0 - 6.3-9.2 HG2 LYS 90 - HG LEU 29 far 0 85 0 - 6.8-11.6 HG2 ARG 30 - HG LEU 38 far 0 57 0 - 8.3-12.3 Violated in 5 structures by 0.05 A. Peak 10286 from cnoeabs.peaks (1.32, 0.80, 13.65 ppm; 3.99 A): 1 out of 7 assignments used, quality = 0.94: HB3 LEU 42 + QD1 ILE 76 OK 94 95 100 99 1.7-2.1 3.0/10878=50, ~10599=33...(39) HG2 LYS 39 - QD1 ILE 76 far 4 85 5 - 5.4-7.7 QB ALA 67 - QD1 ILE 76 far 0 95 0 - 6.3-7.6 HG3 LYS 40 - QD1 ILE 76 far 0 59 0 - 7.5-9.1 HG2 ARG 30 - QD1 ILE 76 far 0 84 0 - 8.5-10.2 HB3 LEU 2 - QD1 ILE 76 far 0 98 0 - 8.8-12.3 HG3 LYS 68 - QD1 ILE 76 far 0 79 0 - 9.2-11.2 Violated in 0 structures by 0.00 A. Peak 10287 from cnoeabs.peaks (0.87, 1.78, 35.29 ppm; 4.74 A): 1 out of 7 assignments used, quality = 0.99: QG2 ILE 76 + HB VAL 78 OK 99 99 100 100 4.3-4.8 10906/2.1=64...(26) QD1 LEU 103 - HB VAL 78 far 5 99 5 - 6.2-15.2 QD1 LEU 38 - HB VAL 78 lone 3 97 35 10 6.0-7.6 12068/10349=8 QG1 VAL 32 - HB VAL 78 far 0 71 0 - 8.7-9.9 QD1 LEU 2 - HB VAL 78 far 0 99 0 - 9.3-11.1 HG13 ILE 8 - HB VAL 78 far 0 98 0 - 9.7-11.6 QD2 LEU 64 - HB VAL 78 far 0 98 0 - 10.0-11.2 Violated in 3 structures by 0.01 A. Peak 10288 from cnoeabs.peaks (0.98, 1.78, 35.29 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.88: QG2 THR 80 + HB VAL 78 OK 88 100 100 88 4.6-5.5 12206/9686=49...(10) HG LEU 55 - HB VAL 78 far 9 93 10 - 6.4-7.7 QG2 VAL 5 - HB VAL 78 far 0 63 0 - 6.9-8.5 Violated in 7 structures by 0.04 A. Peak 10289 from cnoeabs.peaks (1.65, 0.74, 21.24 ppm; 3.64 A): 4 out of 40 assignments used, quality = 1.00: HB ILE 76 + QG1 VAL 78 OK 96 100 100 96 2.0-2.3 2.1/10906=56, ~10287=29...(21) HB3 LEU 6 + QG1 VAL 54 OK 67 83 100 81 3.2-4.4 207=26, 6065/10663=24...(15) HB ILE 76 + QG2 VAL 78 OK 60 68 100 88 4.0-4.7 ~10906=31, ~10287=29...(18) HB3 ARG 79 + QG2 VAL 78 OK 51 65 100 79 4.3-4.9 7290/4.3=37...(16) HB ILE 76 - QG1 VAL 54 poor 17 83 20 - 4.8-6.4 HD3 LYS 68 - QG2 VAL 78 poor 13 67 20 - 4.2-6.8 HG2 LYS 68 - QG2 VAL 78 poor 10 67 40 38 4.4-6.5 4.0/8509=12, 2.9/10567=6...(9) HD2 LYS 68 - QG2 VAL 78 far 10 66 15 - 4.7-7.5 HB3 LEU 6 - QG2 VAL 78 far 0 67 0 - 5.4-7.1 HB ILE 52 - QG1 VAL 54 far 0 65 0 - 5.5-7.7 HB3 ARG 79 - QG1 VAL 78 far 0 99 0 - 5.7-6.9 HB3 ARG 79 - QG1 VAL 54 far 0 81 0 - 5.8-7.6 HB3 LEU 6 - QG1 VAL 78 far 0 100 0 - 5.9-7.3 HB ILE 52 - QG1 VAL 78 far 0 85 0 - 6.4-7.9 HD3 LYS 68 - QG1 VAL 78 far 0 100 0 - 6.7-9.1 HG2 LYS 68 - QG1 VAL 78 far 0 100 0 - 6.7-8.8 HD2 LYS 68 - QG1 VAL 78 far 0 100 0 - 6.9-9.7 HB3 LYS 40 - QG1 VAL 54 far 0 44 0 - 8.3-9.6 HG2 LYS 68 - QG1 VAL 54 far 0 83 0 - 8.6-11.0 HD3 LYS 68 - QG1 VAL 54 far 0 82 0 - 8.7-11.2 HB ILE 52 - QG2 VAL 78 far 0 51 0 - 8.9-10.3 HD2 LYS 73 - QG2 VAL 78 far 0 55 0 - 8.9-10.1 HD2 LYS 39 - QG1 VAL 78 far 0 99 0 - 8.9-11.0 HD2 LYS 73 - QG1 VAL 78 far 0 90 0 - 9.0-10.3 HD3 LYS 39 - QG1 VAL 78 far 0 100 0 - 9.0-10.3 HD2 LYS 39 - QG2 VAL 78 far 0 65 0 - 9.1-11.4 HG3 LYS 47 - QG1 VAL 78 far 0 88 0 - 9.1-11.9 HB3 LYS 40 - QG1 VAL 78 far 0 61 0 - 9.2-10.4 HB2 LYS 40 - QG1 VAL 54 far 0 83 0 - 9.3-10.5 HD3 LYS 73 - QG2 VAL 78 far 0 57 0 - 9.3-10.3 HD3 LYS 73 - QG1 VAL 78 far 0 92 0 - 9.4-10.1 HD2 LYS 68 - QG1 VAL 54 far 0 82 0 - 9.4-12.0 HD2 LYS 39 - QG1 VAL 54 far 0 81 0 - 9.5-12.0 HB2 LYS 40 - QG1 VAL 78 far 0 100 0 - 9.5-10.8 HD3 LYS 47 - QG1 VAL 54 far 0 48 0 - 9.6-12.9 HD3 LYS 39 - QG2 VAL 78 far 0 67 0 - 9.6-10.7 HG3 LYS 47 - QG1 VAL 54 far 0 68 0 - 9.7-12.3 HD3 LYS 39 - QG1 VAL 54 far 0 83 0 - 9.7-11.8 HD3 LYS 47 - QG1 VAL 78 far 0 65 0 - 9.9-12.6 HD2 LYS 47 - QG1 VAL 54 far 0 49 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10290 from cnoeabs.peaks (1.42, 0.74, 21.24 ppm; 2.92 A): 2 out of 27 assignments used, quality = 0.98: QB ALA 71 + QG1 VAL 78 OK 94 99 100 95 1.7-2.3 9553=40, 9685/2.1=39...(29) QB ALA 71 + QG2 VAL 78 OK 61 65 100 94 1.6-1.8 9685/2.1=39, 9553=37...(25) HG13 ILE 76 - QG1 VAL 78 far 10 96 10 - 4.4-4.7 QB ALA 71 - QG1 VAL 54 far 8 80 10 - 4.3-6.2 HG13 ILE 52 - QG1 VAL 54 far 0 46 0 - 4.5-8.0 HG13 ILE 52 - QG1 VAL 78 far 0 63 0 - 4.7-8.4 HG LEU 38 - QG2 VAL 78 far 0 33 0 - 5.4-8.5 HD2 LYS 53 - QG1 VAL 78 far 0 59 0 - 5.5-7.0 HB2 LEU 38 - QG2 VAL 78 far 0 38 0 - 5.6-8.6 HG LEU 38 - QG1 VAL 54 far 0 43 0 - 5.7-8.8 HB2 LEU 38 - QG1 VAL 54 far 0 49 0 - 5.7-9.2 HG LEU 38 - QG1 VAL 78 far 0 59 0 - 5.8-8.7 HG LEU 29 - QG1 VAL 54 far 0 76 0 - 6.0-8.6 HB2 LEU 38 - QG1 VAL 78 far 0 68 0 - 6.0-9.1 QB ALA 22 - QG1 VAL 54 far 0 76 0 - 6.1-6.9 HG13 ILE 76 - QG1 VAL 54 far 0 76 0 - 6.2-7.5 HG13 ILE 76 - QG2 VAL 78 far 0 61 0 - 6.4-7.1 HD2 LYS 53 - QG2 VAL 78 far 0 33 0 - 6.4-7.5 HB2 LEU 27 - QG1 VAL 54 far 0 46 0 - 6.6-8.1 HD2 LYS 53 - QG1 VAL 54 far 0 43 0 - 6.7-7.5 HG13 ILE 52 - QG2 VAL 78 far 0 36 0 - 7.1-10.8 HG3 LYS 39 - QG1 VAL 78 far 0 91 0 - 7.2-9.8 HG3 LYS 39 - QG2 VAL 78 far 0 56 0 - 7.6-10.4 HG3 LYS 39 - QG1 VAL 54 far 0 70 0 - 8.5-10.7 HG12 ILE 7 - QG1 VAL 54 far 0 83 0 - 8.8-10.4 QB ALA 22 - QG1 VAL 78 far 0 96 0 - 9.5-10.3 QB ALA 22 - QG2 VAL 78 far 0 61 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10291 from cnoeabs.peaks (1.64, 0.72, 21.10 ppm; 3.67 A): 5 out of 35 assignments used, quality = 1.00: HB ILE 76 + QG2 VAL 78 OK 93 100 100 93 4.0-4.7 ~10906=31, ~10287=29...(21) HB3 ARG 79 + QG2 VAL 78 OK 79 97 100 81 4.3-4.9 7290/4.3=37...(17) HB3 LEU 6 + QG1 VAL 5 OK 64 74 100 87 4.0-4.4 6065/4.1=41, 3.0/8178=18...(22) HB ILE 76 + QG1 VAL 78 OK 60 67 100 89 2.0-2.3 ~10287=29, 2.1/10906=25...(19) HB2 ARG 79 + QG2 VAL 78 OK 41 57 100 72 4.4-5.1 7289/4.3=22...(16) HD3 LYS 68 - QG2 VAL 78 poor 20 99 20 - 4.2-6.8 HG2 LYS 68 - QG2 VAL 78 poor 18 100 40 45 4.4-6.5 2.9/10567=10...(12) HD2 LYS 68 - QG2 VAL 78 far 15 98 15 - 4.7-7.5 HB3 LEU 6 - QG2 VAL 78 far 0 99 0 - 5.4-7.1 HB3 ARG 79 - QG1 VAL 78 far 0 62 0 - 5.7-6.9 HB3 LEU 6 - QG1 VAL 78 far 0 66 0 - 5.9-7.3 HB2 ARG 30 - QG1 VAL 5 far 0 41 0 - 6.0-7.3 HB2 ARG 79 - QG1 VAL 78 far 0 32 0 - 6.0-6.8 HB2 ARG 79 - QG1 VAL 5 far 0 37 0 - 6.4-9.4 HB ILE 52 - QG1 VAL 78 far 0 45 0 - 6.4-7.9 HB3 ARG 79 - QG1 VAL 5 far 0 70 0 - 6.6-8.9 HD3 LYS 68 - QG1 VAL 78 far 0 64 0 - 6.7-9.1 HG2 LYS 68 - QG1 VAL 78 far 0 68 0 - 6.7-8.8 HD2 LYS 68 - QG1 VAL 78 far 0 64 0 - 6.9-9.7 HD2 LYS 94 - QG1 VAL 5 far 0 68 0 - 7.6-8.9 HG3 LYS 20 - QG1 VAL 5 far 0 45 0 - 8.1-10.3 HB ILE 52 - QG2 VAL 78 far 0 77 0 - 8.9-10.3 HD2 LYS 73 - QG2 VAL 78 far 0 82 0 - 8.9-10.1 HD2 LYS 20 - QG1 VAL 5 far 0 41 0 - 8.9-10.4 HD2 LYS 39 - QG1 VAL 78 far 0 62 0 - 8.9-11.0 HD2 LYS 73 - QG1 VAL 78 far 0 49 0 - 9.0-10.3 HB2 ARG 30 - QG1 VAL 78 far 0 36 0 - 9.0-10.7 HD3 LYS 39 - QG1 VAL 78 far 0 68 0 - 9.0-10.3 HD2 LYS 39 - QG2 VAL 78 far 0 97 0 - 9.1-11.4 HG3 LYS 47 - QG1 VAL 78 far 0 59 0 - 9.1-11.9 HD3 LYS 20 - QG1 VAL 5 far 0 45 0 - 9.2-10.9 HD3 LYS 73 - QG2 VAL 78 far 0 85 0 - 9.3-10.3 HD3 LYS 73 - QG1 VAL 78 far 0 51 0 - 9.4-10.1 HB2 LYS 40 - QG1 VAL 78 far 0 67 0 - 9.5-10.8 HD3 LYS 39 - QG2 VAL 78 far 0 100 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 10292 from cnoeabs.peaks (1.42, 0.72, 21.10 ppm; 2.88 A): 4 out of 14 assignments used, quality = 0.99: QB ALA 71 + QG2 VAL 78 OK 94 100 100 94 1.6-1.8 9685/2.1=40, 9553=36...(28) QB ALA 71 + QG1 VAL 78 OK 62 67 100 93 1.7-2.3 9685/2.1=40, 9553=38...(26) HG LEU 29 + QG1 VAL 5 OK 51 64 100 80 2.6-4.3 ~10500=20, ~8671=16...(18) QB ALA 22 + QG1 VAL 5 OK 38 64 100 60 2.8-3.7 8578/2.1=22, 8582/2.1=12...(13) HG13 ILE 76 - QG1 VAL 78 far 0 56 0 - 4.4-4.7 HG12 ILE 7 - QG1 VAL 5 far 0 74 0 - 5.0-5.7 HG13 ILE 76 - QG2 VAL 78 far 0 91 0 - 6.4-7.1 HG3 LYS 94 - QG1 VAL 5 far 0 44 0 - 7.2-10.0 HG3 LYS 39 - QG1 VAL 78 far 0 50 0 - 7.2-9.8 HG3 LYS 39 - QG2 VAL 78 far 0 84 0 - 7.6-10.4 QB ALA 71 - QG1 VAL 5 far 0 75 0 - 8.3-9.4 HG3 ARG 91 - QG1 VAL 5 far 0 41 0 - 9.0-9.7 QB ALA 22 - QG1 VAL 78 far 0 57 0 - 9.5-10.3 QB ALA 22 - QG2 VAL 78 far 0 92 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10293 from cnoeabs.peaks (1.75, 5.33, 59.69 ppm; 3.76 A): 1 out of 9 assignments used, quality = 0.99: HB ILE 56 + HA THR 80 OK 99 99 100 100 1.7-2.4 9302=78, 9729/3.2=60...(29) HD2 ARG 81 - HA THR 80 far 4 77 5 - 5.2-6.3 HB VAL 78 - HA THR 80 far 0 85 0 - 5.3-6.2 HB3 LYS 82 - HA THR 80 far 0 99 0 - 7.7-8.8 HB3 GLU 63 - HA THR 80 far 0 88 0 - 7.7-9.3 HB2 GLU 28 - HA ILE 52 far 0 65 0 - 8.9-10.9 HB VAL 78 - HA ILE 52 far 0 53 0 - 9.0-10.6 HG3 ARG 46 - HA ILE 52 far 0 44 0 - 9.2-12.4 HB2 LYS 66 - HA THR 80 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 10295 from cnoeabs.peaks (10.30, 1.01, 23.61 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 92 + QG1 VAL 83 OK 100 100 100 100 4.1-4.8 9998=100, 2.6/9796=77...(18) Violated in 20 structures by 0.37 A. Peak 10296 from cnoeabs.peaks (10.29, 0.96, 21.21 ppm; 5.17 A): 0 out of 1 assignment used, quality = 0.00: HE1 TRP 92 - QG2 VAL 83 poor 20 100 20 100 6.5-7.3 9998/2.1=99, ~9796=72...(20) Violated in 20 structures by 1.61 A. Peak 10297 from cnoeabs.peaks (7.70, 1.81, 30.05 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.99: H SER 85 + HB2 GLU 88 OK 99 99 100 100 2.9-4.8 10299/1.8=72, 9861=57...(13) Violated in 18 structures by 0.30 A. Peak 10299 from cnoeabs.peaks (7.70, 2.08, 30.05 ppm; 3.81 A): 2 out of 4 assignments used, quality = 0.97: H SER 85 + HB3 GLU 88 OK 96 98 100 99 3.1-3.4 10297/1.8=61...(17) H SER 49 + HB3 GLU 48 OK 23 23 100 98 2.1-4.7 4.6=56, 6798/3.0=53...(11) HD22 ASN 51 - HB3 GLU 48 far 0 27 0 - 6.0-10.5 H ASN 60 - HB3 GLU 88 far 0 79 0 - 9.7-10.2 Violated in 0 structures by 0.00 A. Peak 10301 from cnoeabs.peaks (7.70, 2.14, 36.78 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.99: H SER 85 + HG2 GLU 88 OK 99 99 100 100 3.8-5.5 10297/3.0=78...(12) Violated in 2 structures by 0.05 A. Peak 10302 from cnoeabs.peaks (7.70, 1.94, 36.78 ppm; 5.58 A): 1 out of 2 assignments used, quality = 0.98: H SER 85 + HG3 GLU 88 OK 98 98 100 100 2.2-4.6 10301/1.8=93...(13) H ASN 60 - HG3 GLU 88 far 0 79 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 10305 from cnoeabs.peaks (3.90, 2.14, 36.78 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: HA ALA 89 + HG2 GLU 88 OK 100 100 100 100 4.5-6.4 3.0/3892=67, ~7405=50...(16) HB2 SER 85 + HG2 GLU 88 OK 99 100 100 99 3.2-6.4 9845/3886=63...(15) HA ARG 91 - HG2 GLU 88 far 0 99 0 - 7.6-8.0 Violated in 1 structures by 0.00 A. Peak 10306 from cnoeabs.peaks (3.89, 2.08, 30.05 ppm; 4.10 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 89 + HB3 GLU 88 OK 99 100 100 99 4.1-4.3 3.0/7403=44, 2.1/9916=40...(24) HB2 SER 85 + HB3 GLU 88 OK 92 99 100 93 4.1-4.9 4.0/10299=42...(13) HA GLU 43 - HB3 GLU 48 far 0 29 0 - 7.6-10.8 HB3 SER 9 - HB3 GLU 88 far 0 73 0 - 8.0-9.3 HA ARG 91 - HB3 GLU 88 far 0 100 0 - 8.2-8.4 Violated in 0 structures by 0.00 A. Peak 10307 from cnoeabs.peaks (3.91, 1.81, 30.05 ppm; 4.53 A): 2 out of 8 assignments used, quality = 1.00: HA ALA 89 + HB2 GLU 88 OK 98 99 100 100 4.7-5.6 3.0/7402=49...(23) HB2 SER 85 + HB2 GLU 88 OK 97 99 100 98 3.3-5.8 4.0/10297=55...(13) HB2 SER 102 - HB2 GLU 104 poor 16 81 20 - 4.1-9.4 HA ARG 91 - HB2 GLU 104 far 4 73 5 - 4.9-18.5 HA ALA 89 - HB2 GLU 104 far 0 87 0 - 7.2-18.8 HA ARG 91 - HB2 GLU 88 far 0 87 0 - 7.9-8.3 HA3 GLY 101 - HB2 GLU 104 far 0 79 0 - 8.3-11.6 HB3 SER 9 - HB2 GLU 88 far 0 97 0 - 9.3-10.8 Violated in 5 structures by 0.00 A. Peak 10308 from cnoeabs.peaks (2.08, 1.81, 32.09 ppm; 3.87 A): 7 out of 27 assignments used, quality = 1.00: QE MET 21 + HB2 LYS 90 OK 76 98 80 98 3.5-5.6 8543/3.0=53, 8537/4.1=36...(32) QE MET 21 + HB3 LYS 90 OK 71 73 100 98 2.5-5.0 8543/3.0=53, 8537/4.1=36...(33) HB3 PRO 86 + HB2 LYS 90 OK 66 93 90 79 3.9-5.5 4.9/9908=20, 3.9/9901=19...(19) HB2 MET 21 + HB2 LYS 90 OK 50 68 80 93 3.3-5.8 8549/3.0=25, ~3920=24...(29) HB3 LEU 38 + HB2 LYS 39 OK 43 86 55 92 3.8-6.1 6599/6604=55...(20) HB2 MET 21 + HB3 LYS 90 OK 42 46 100 93 1.8-4.4 8549/3.0=25, ~3920=24...(30) HB3 GLU 35 + HB2 LYS 39 OK 30 90 50 66 4.4-7.1 4.7/8779=22...(16) HB2 PRO 86 - HB2 LYS 90 far 7 70 10 - 5.0-7.0 HB3 PRO 86 - HB3 LYS 90 far 7 68 10 - 4.6-6.0 HB2 MET 74 - HB2 LYS 39 far 4 75 5 - 5.1-8.5 HB2 LEU 64 - HB2 LYS 68 far 2 47 5 - 5.3-7.3 HB3 GLU 43 - HB2 LYS 39 far 0 78 0 - 5.7-8.1 HB2 PRO 86 - HB3 LYS 90 far 0 47 0 - 5.7-7.4 HG3 GLU 37 - HB2 LYS 39 far 0 74 0 - 6.5-8.7 HB2 GLU 16 - HB2 LYS 90 far 0 99 0 - 7.2-10.8 HG3 GLU 104 - HB2 LYS 68 far 0 62 0 - 7.3-19.4 HB3 GLU 88 - HB2 LYS 90 far 0 99 0 - 7.5-8.7 HG3 GLU 104 - HB2 LYS 90 far 0 98 0 - 7.6-23.0 HB2 GLU 16 - HB3 LYS 90 far 0 75 0 - 7.9-10.2 HB VAL 83 - HB2 LYS 90 far 0 82 0 - 8.3-9.6 HB3 GLU 88 - HB3 LYS 90 far 0 76 0 - 8.3-9.1 HG3 GLU 104 - HB3 LYS 90 far 0 74 0 - 8.6-22.9 HB3 LEU 38 - HB2 LYS 68 far 0 61 0 - 8.7-10.4 HB2 GLU 23 - HB3 LYS 90 far 0 78 0 - 8.8-11.9 HB VAL 83 - HB3 LYS 90 far 0 58 0 - 9.0-10.4 HB2 GLU 23 - HB2 LYS 90 far 0 100 0 - 9.6-13.5 HB3 GLU 35 - HB2 LYS 68 far 0 65 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 10309 from cnoeabs.peaks (2.08, 1.83, 32.09 ppm; 3.74 A): 5 out of 32 assignments used, quality = 1.00: QE MET 21 + HB3 LYS 90 OK 94 98 100 96 2.5-5.0 8543/3.0=49, 8537/4.1=33...(31) HB2 MET 21 + HB3 LYS 90 OK 61 68 100 90 1.8-4.4 8549/3.0=24, ~3920=22...(30) QE MET 21 + HB2 LYS 90 OK 53 73 75 96 3.5-5.6 8543/3.0=49, 8537/4.1=33...(29) HB3 PRO 86 + HB2 LYS 90 OK 45 68 90 74 3.9-5.5 4.9/9908=17, 3.9/9901=15...(17) HB2 MET 21 + HB2 LYS 90 OK 31 46 75 91 3.3-5.8 8549/3.0=24, ~3920=22...(29) HB2 MET 74 - HB3 LYS 39 poor 17 47 35 - 4.4-6.9 HB3 GLU 35 - HB3 LYS 66 poor 16 35 45 - 4.2-6.9 HB3 LEU 38 - HB3 LYS 39 far 6 56 10 - 5.1-7.2 HB3 GLU 43 - HB3 LYS 39 far 5 49 10 - 4.7-7.2 HB3 LEU 38 - HB3 LYS 66 far 5 33 15 - 4.7-7.8 HB2 PRO 86 - HB2 LYS 90 far 5 47 10 - 5.0-7.0 HB3 PRO 86 - HB3 LYS 90 far 5 93 5 - 4.6-6.0 HB2 LEU 64 - HB2 LYS 68 far 0 79 0 - 5.3-7.3 HB3 GLU 35 - HB3 LYS 39 far 0 60 0 - 5.5-8.8 HB3 GLU 62 - HB3 LYS 66 far 0 35 0 - 5.6-7.2 HB2 PRO 86 - HB3 LYS 90 far 0 70 0 - 5.7-7.4 HB2 LEU 64 - HB3 LYS 66 far 0 25 0 - 6.2-7.2 HB2 GLU 16 - HB2 LYS 90 far 0 75 0 - 7.2-10.8 HG3 GLU 104 - HB2 LYS 68 far 0 96 0 - 7.3-19.4 HB3 GLU 88 - HB2 LYS 90 far 0 76 0 - 7.5-8.7 HG3 GLU 104 - HB2 LYS 90 far 0 74 0 - 7.6-23.0 HB2 GLU 16 - HB3 LYS 90 far 0 99 0 - 7.9-10.2 HG3 GLU 37 - HB3 LYS 39 far 0 46 0 - 8.1-9.6 HB VAL 83 - HB2 LYS 90 far 0 58 0 - 8.3-9.6 HB3 GLU 88 - HB3 LYS 90 far 0 99 0 - 8.3-9.1 HG3 GLU 104 - HB3 LYS 90 far 0 98 0 - 8.6-22.9 HB3 LEU 38 - HB2 LYS 68 far 0 95 0 - 8.7-10.4 HB2 GLU 23 - HB3 LYS 90 far 0 100 0 - 8.8-11.9 HG3 GLU 37 - HB3 LYS 66 far 0 27 0 - 8.9-10.7 HB VAL 83 - HB3 LYS 90 far 0 82 0 - 9.0-10.4 HB2 GLU 23 - HB2 LYS 90 far 0 78 0 - 9.6-13.5 HB3 GLU 35 - HB2 LYS 68 far 0 98 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 10310 from cnoeabs.peaks (2.02, 1.29, 25.29 ppm; 4.51 A): 2 out of 4 assignments used, quality = 0.97: HB3 GLU 17 + HG2 LYS 90 OK 92 94 100 98 2.0-5.3 ~12027=52, 12029/1.8=48...(31) HB2 MET 21 + HG2 LYS 90 OK 55 84 70 94 3.5-6.6 8549/3915=42...(28) HG12 ILE 93 - HG2 LYS 90 far 10 98 10 - 5.6-8.4 HB3 LYS 94 - HG2 LYS 90 far 0 100 0 - 6.2-10.3 Violated in 2 structures by 0.02 A. Peak 10311 from cnoeabs.peaks (2.08, 1.58, 25.29 ppm; 5.00 A): 5 out of 15 assignments used, quality = 1.00: QE MET 21 + HG3 LYS 90 OK 97 98 100 100 3.6-6.5 8543/4.0=67...(30) HB3 PRO 86 + HG3 LYS 90 OK 89 93 100 96 2.6-5.8 4.9/9910=53...(25) QE MET 21 + HG2 LYS 24 OK 73 74 100 99 3.1-6.0 8540/3.7=65...(14) HB2 MET 21 + HG3 LYS 90 OK 58 68 90 96 3.2-6.7 8549/4.0=35, ~3955=26...(26) HB2 PRO 86 + HG3 LYS 90 OK 47 70 70 96 4.0-7.4 4.9/9910=53, ~11077=20...(24) HB2 MET 21 - HG2 LYS 24 poor 16 46 45 75 5.4-8.3 3.0/8565=25, ~8595=19...(11) HB3 GLU 88 - HG3 LYS 90 far 10 99 10 - 6.1-9.5 HB2 GLU 23 - HG2 LYS 24 far 4 79 5 - 6.4-7.9 HB2 GLU 16 - HG3 LYS 12 far 4 71 5 - 4.3-8.9 HB2 MET 74 - HG3 LYS 73 far 3 54 5 - 6.1-8.3 HB2 GLU 16 - HG3 LYS 90 far 0 99 0 - 6.8-10.0 HB VAL 83 - HG3 LYS 90 far 0 82 0 - 7.1-10.6 HB3 GLU 35 - HG3 LYS 73 far 0 68 0 - 7.4-11.7 HB3 LEU 38 - HG3 LYS 73 far 0 64 0 - 7.5-13.1 HB2 PRO 86 - HG3 LYS 12 far 0 44 0 - 8.9-10.9 Violated in 0 structures by 0.00 A. Peak 10312 from cnoeabs.peaks (2.11, 3.67, 60.35 ppm; 4.48 A): 1 out of 10 assignments used, quality = 0.99: QE MET 21 + HA LYS 90 OK 99 99 100 100 3.3-4.3 8543=98, 3.4/3920=69...(28) HB3 PRO 86 - HA LYS 90 far 0 100 0 - 6.2-6.8 HB2 PRO 86 - HA LYS 90 far 0 99 0 - 7.2-7.9 HB3 GLU 88 - HA LYS 90 far 0 75 0 - 7.8-8.0 HG3 GLU 104 - HA LYS 90 far 0 99 0 - 8.0-21.0 HG2 GLU 104 - HA LYS 90 far 0 59 0 - 8.1-20.2 HB VAL 83 - HA LYS 90 far 0 100 0 - 8.3-9.1 HG2 GLU 88 - HA LYS 90 far 0 71 0 - 8.5-8.9 HB2 GLU 16 - HA LYS 90 far 0 71 0 - 8.9-10.7 HB2 GLU 23 - HA LYS 90 far 0 90 0 - 9.1-11.6 Violated in 0 structures by 0.00 A. Peak 10313 from cnoeabs.peaks (4.22, 1.68, 29.27 ppm; 5.40 A): 4 out of 17 assignments used, quality = 1.00: HA ASP 87 + HB3 ARG 91 OK 98 100 100 98 3.9-5.4 9963/3.9=71, ~4061=24...(19) HA ASP 87 + HD3 LYS 90 OK 86 86 100 100 1.9-3.5 9910/2.9=85, 9907/3.0=85...(20) HB THR 31 + HG12 ILE 15 OK 82 82 100 100 4.8-6.4 ~8467=84, ~8463=74...(17) HB3 SER 85 + HD2 LYS 13 OK 21 32 85 78 5.4-10.0 3.0/10956=21, 9875=16...(15) HB3 SER 85 - HD3 LYS 13 poor 20 30 85 77 5.2-9.6 3.0/10956=20, ~10956=17...(15) HB THR 31 - HD2 LYS 12 far 7 68 10 - 6.9-8.6 HB3 SER 85 - HD3 LYS 90 far 5 55 10 - 5.7-9.4 HB THR 31 - HD3 LYS 12 far 0 68 0 - 7.3-10.3 HB3 SER 85 - HB3 ARG 91 far 0 71 0 - 7.3-10.7 HA ASP 87 - HD3 LYS 13 far 0 51 0 - 7.5-12.4 HA ASP 87 - HD2 LYS 13 far 0 54 0 - 7.6-12.4 HA ASP 87 - HD2 LYS 20 far 0 99 0 - 7.7-11.6 HA ASP 87 - HD3 LYS 20 far 0 97 0 - 8.5-12.3 HA SER 49 - HD3 LYS 47 far 0 91 0 - 8.7-10.8 HA GLU 98 - HD2 LYS 24 far 0 29 0 - 9.1-14.5 HA GLU 98 - HD3 LYS 24 far 0 28 0 - 9.5-14.4 HA SER 49 - HD2 LYS 47 far 0 91 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10314 from cnoeabs.peaks (4.23, 2.81, 41.80 ppm; 4.42 A): 1 out of 3 assignments used, quality = 0.99: HA ASP 87 + HE2 LYS 90 OK 99 99 100 100 2.9-5.0 9907=97, 9906/1.8=54...(16) HA SER 49 - HE2 LYS 53 far 0 81 0 - 6.6-12.9 HA SER 49 - HE3 LYS 53 far 0 74 0 - 7.2-13.9 Violated in 3 structures by 0.04 A. Peak 10315 from cnoeabs.peaks (4.20, 1.70, 29.44 ppm; 4.80 A): 2 out of 6 assignments used, quality = 0.96: HA ASP 87 + HD3 LYS 90 OK 88 88 100 100 1.9-3.5 9951/7422=63...(20) HA ASP 87 + HB3 ARG 91 OK 66 70 100 94 3.9-5.4 9963/3.9=45, 9909=22...(19) HB3 SER 85 - HD3 LYS 90 far 10 99 10 - 5.7-9.4 HB3 SER 85 - HB3 ARG 91 far 0 83 0 - 7.3-10.7 HA ASP 87 - HD2 LYS 20 far 0 53 0 - 7.7-11.6 HA ASP 87 - HD3 LYS 20 far 0 48 0 - 8.5-12.3 Violated in 0 structures by 0.00 A. Peak 10316 from cnoeabs.peaks (4.21, 1.74, 29.44 ppm; 4.85 A): 1 out of 2 assignments used, quality = 0.97: HA ASP 87 + HD2 LYS 90 OK 97 97 100 100 1.8-3.7 9910/2.9=71, 9907/3.0=70...(17) HB3 SER 85 - HD2 LYS 90 far 14 93 15 - 5.7-9.9 Violated in 0 structures by 0.00 A. Peak 10317 from cnoeabs.peaks (4.83, 7.43, 120.39 ppm; 4.47 A): 2 out of 2 assignments used, quality = 0.92: HA TRP 92 + HE3 TRP 92 OK 86 99 100 87 4.9-5.1 4.8=80, 2.9/7467=28...(4) HA VAL 83 + HE3 TRP 92 OK 43 73 60 98 5.4-6.2 3.2/9794=34, 3.2/9780=33...(15) Violated in 20 structures by 0.28 A. Peak 10318 from cnoeabs.peaks (2.12, 0.77, 14.14 ppm; 4.35 A): 1 out of 9 assignments used, quality = 0.93: QE MET 21 + QD1 ILE 93 OK 93 93 100 100 3.0-4.3 10319/3.1=59...(36) HB3 GLU 23 - QD1 ILE 93 far 0 65 0 - 6.4-7.8 HB3 PRO 86 - QD1 ILE 93 far 0 98 0 - 6.5-7.1 HB2 GLU 23 - QD1 ILE 93 far 0 75 0 - 6.6-9.0 HB2 PRO 86 - QD1 ILE 93 far 0 100 0 - 6.9-7.6 HB VAL 83 - QD1 ILE 93 far 0 100 0 - 7.0-7.7 HG2 GLU 88 - QD1 ILE 93 far 0 87 0 - 7.6-8.7 HG2 GLU 104 - QD1 ILE 93 far 0 77 0 - 7.9-16.8 HG3 GLU 104 - QD1 ILE 93 far 0 92 0 - 7.9-17.5 Violated in 0 structures by 0.00 A. Peak 10319 from cnoeabs.peaks (2.10, 0.75, 17.00 ppm; 3.91 A): 1 out of 9 assignments used, quality = 1.00: QE MET 21 + QG2 ILE 93 OK 100 100 100 100 1.8-3.8 10318/3.1=43...(44) HB2 GLU 23 - QG2 ILE 93 far 0 98 0 - 6.4-8.2 HG2 GLU 28 - QG2 ILE 93 far 0 65 0 - 7.9-10.0 HG3 GLU 28 - QG2 ILE 93 far 0 65 0 - 8.0-9.4 HG3 GLU 104 - QG2 ILE 93 far 0 100 0 - 8.1-15.9 HB3 PRO 86 - QG2 ILE 93 far 0 100 0 - 8.8-9.7 HB3 GLU 88 - QG2 ILE 93 far 0 90 0 - 9.3-9.8 HB2 PRO 86 - QG2 ILE 93 far 0 92 0 - 9.5-10.4 HB VAL 83 - QG2 ILE 93 far 0 98 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 10320 from cnoeabs.peaks (1.34, 0.75, 17.00 ppm; 3.93 A): 4 out of 8 assignments used, quality = 1.00: QB ALA 25 + QG2 ILE 93 OK 98 100 100 98 2.6-3.4 8624/10319=45, 8621=33...(31) HB3 LEU 27 + QG2 ILE 93 OK 92 100 100 93 4.2-5.3 8634/10322=44...(23) HG3 LYS 94 + QG2 ILE 93 OK 46 61 85 88 3.8-6.2 3.7/12249=36...(18) HG2 LYS 94 + QG2 ILE 93 OK 32 100 35 92 5.1-6.0 3.7/12249=36...(19) QB ALA 89 - QG2 ILE 93 far 15 100 15 - 5.3-6.0 HG LEU 14 - QG2 ILE 93 far 0 100 0 - 7.9-9.4 HB3 ARG 30 - QG2 ILE 93 far 0 81 0 - 9.1-10.6 HB3 LEU 2 - QG2 ILE 93 far 0 99 0 - 9.7-11.5 Violated in 0 structures by 0.00 A. Peak 10321 from cnoeabs.peaks (1.33, 0.77, 14.14 ppm; 3.54 A): 1 out of 9 assignments used, quality = 0.91: QB ALA 89 + QD1 ILE 93 OK 91 100 100 91 2.5-3.3 9932=44, 9939/4162=27...(20) HG LEU 14 - QD1 ILE 93 poor 19 96 20 - 4.8-6.3 QB ALA 25 - QD1 ILE 93 far 15 100 15 - 4.8-5.8 HB3 LEU 27 - QD1 ILE 93 far 0 99 0 - 6.0-7.4 HG2 LYS 94 - QD1 ILE 93 far 0 100 0 - 6.7-7.9 HB3 ARG 30 - QD1 ILE 93 far 0 63 0 - 7.9-9.1 HG12 ILE 8 - QD1 ILE 93 far 0 79 0 - 8.6-9.5 QB ALA 67 - QD1 ILE 93 far 0 100 0 - 9.1-10.4 HG LEU 3 - QD1 ILE 93 far 0 68 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 10322 from cnoeabs.peaks (0.94, 0.75, 17.00 ppm; 3.81 A): 1 out of 4 assignments used, quality = 0.96: QG2 VAL 5 + QG2 ILE 93 OK 96 99 100 97 2.0-2.9 8176/3.2=39, ~10198=24...(30) HG LEU 55 - QG2 ILE 93 far 0 82 0 - 5.6-6.7 QG2 VAL 83 - QG2 ILE 93 far 0 84 0 - 7.5-8.3 HB2 ARG 81 - QG2 ILE 93 far 0 100 0 - 8.4-11.0 Violated in 0 structures by 0.00 A. Peak 10323 from cnoeabs.peaks (1.34, 1.80, 37.57 ppm; 5.73 A): 3 out of 5 assignments used, quality = 1.00: QB ALA 89 + HB ILE 93 OK 100 100 100 100 4.8-5.6 10321/3.2=97...(15) HG2 LYS 94 + HB ILE 93 OK 99 100 100 99 5.5-6.9 4208/7507=79...(18) QB ALA 25 + HB ILE 93 OK 97 100 100 97 4.6-5.8 7515/7507=42...(17) HB3 LEU 27 - HB ILE 93 far 0 100 0 - 7.4-8.8 HG LEU 14 - HB ILE 93 far 0 98 0 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 10324 from cnoeabs.peaks (3.96, 0.75, 17.00 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.99: HB2 SER 97 + QG2 ILE 93 OK 94 99 100 94 3.0-4.2 4349/12249=48...(15) HB3 SER 97 + QG2 ILE 93 OK 77 82 100 93 2.8-5.0 4355/12249=40...(16) Violated in 0 structures by 0.00 A. Peak 10325 from cnoeabs.peaks (3.90, 0.77, 14.14 ppm; 4.91 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 89 + QD1 ILE 93 OK 100 100 100 100 3.4-4.1 2.1/10321=97...(17) HA ARG 91 + QD1 ILE 93 OK 87 99 100 88 5.4-5.9 9956/10025=30...(16) HA LYS 94 + QD1 ILE 93 OK 71 73 100 97 5.8-5.9 ~7507=43, ~4137=41...(19) HB3 SER 9 - QD1 ILE 93 far 0 81 0 - 8.5-9.4 HB2 SER 85 - QD1 ILE 93 far 0 100 0 - 8.8-10.0 HA2 GLY 101 - QD1 ILE 93 far 0 73 0 - 9.3-14.3 HA3 GLY 101 - QD1 ILE 93 far 0 100 0 - 9.6-14.4 Violated in 0 structures by 0.00 A. Peak 10326 from cnoeabs.peaks (1.44, 0.75, 17.00 ppm; 3.84 A): 3 out of 10 assignments used, quality = 1.00: QB ALA 22 + QG2 ILE 93 OK 98 99 100 99 1.9-2.9 2.9/11002=45...(37) HB2 LEU 27 + QG2 ILE 93 OK 90 97 100 93 3.5-4.5 8633/10322=39, 1194=30...(27) HG LEU 29 + QG2 ILE 93 OK 30 99 45 66 4.6-7.3 10327/3.1=22...(15) HG2 LYS 20 - QG2 ILE 93 far 0 97 0 - 6.4-8.5 HG3 ARG 91 - QG2 ILE 93 far 0 99 0 - 7.4-8.1 HG3 LYS 53 - QG2 ILE 93 far 0 85 0 - 8.1-10.5 HG12 ILE 7 - QG2 ILE 93 far 0 93 0 - 8.1-8.9 HG2 LYS 53 - QG2 ILE 93 far 0 92 0 - 8.9-11.4 HD2 LYS 53 - QG2 ILE 93 far 0 96 0 - 9.5-11.3 HG13 ILE 52 - QG2 ILE 93 far 0 97 0 - 9.8-14.1 Violated in 0 structures by 0.00 A. Peak 10327 from cnoeabs.peaks (1.43, 0.77, 14.14 ppm; 3.73 A): 2 out of 7 assignments used, quality = 0.99: QB ALA 22 + QD1 ILE 93 OK 97 100 100 97 2.5-3.7 2.9/11004=41...(36) HG LEU 29 + QD1 ILE 93 OK 63 100 90 70 2.5-5.5 2.1/10501=16...(21) HG2 LYS 20 - QD1 ILE 93 poor 18 88 20 - 5.1-7.1 HG12 ILE 7 - QD1 ILE 93 far 5 99 5 - 5.1-5.9 HB2 LEU 27 - QD1 ILE 93 far 4 88 5 - 5.2-6.6 HG3 ARG 91 - QD1 ILE 93 far 0 94 0 - 6.2-6.7 HG2 LYS 13 - QD1 ILE 93 far 0 100 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10330 from cnoeabs.peaks (5.18, 6.95, 131.21 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.99: HA VAL 54 + QE PHE 96 OK 88 88 100 100 2.8-4.0 9220=89, 10203/8119=80...(17) HA VAL 78 + QE PHE 96 OK 81 92 100 88 4.2-5.5 11101/9218=67...(9) HA TYR 4 + QE PHE 96 OK 62 62 100 100 3.7-5.5 3.0/8119=98...(10) Violated in 0 structures by 0.00 A. Peak 10332 from cnoeabs.peaks (1.43, 1.69, 29.43 ppm; 2.74 A): 7 out of 42 assignments used, quality = 1.00: HG12 ILE 7 + HG12 ILE 15 OK 74 100 85 87 2.7-4.5 ~8469=20, ~10118=19...(28) HG3 ARG 91 + HB3 ARG 91 OK 70 74 100 95 2.4-3.0 2.8=89, 7445/3.9=14...(9) HG2 LYS 12 + HD2 LYS 12 OK 59 60 100 99 2.3-3.0 3.0=78, 463/3.0=27...(64) HG2 LYS 12 + HD3 LYS 12 OK 59 60 100 99 2.3-3.0 3.0=78, 463/3.0=27...(62) HG2 LYS 20 + HD2 LYS 20 OK 50 51 100 98 2.4-2.6 2.8=89, 887/1.8=7...(72) HG2 LYS 20 + HD3 LYS 20 OK 46 47 100 98 2.3-3.0 2.8=89, 889/1.8=7...(70) HG3 ARG 91 + HD3 LYS 90 OK 39 86 85 53 2.1-4.9 1.8/4047=11, 4056=10...(13) HG2 LYS 20 - HD3 LYS 90 far 0 78 0 - 5.7-10.7 HG2 LYS 13 - HG12 ILE 15 far 0 100 0 - 6.1-6.7 HG2 LYS 13 - HD2 LYS 12 far 0 68 0 - 6.1-7.5 HG2 LYS 12 - HG12 ILE 15 far 0 95 0 - 6.2-8.3 HG2 LYS 13 - HD3 LYS 12 far 0 68 0 - 6.4-8.2 HG LEU 29 - HG12 ILE 15 far 0 100 0 - 6.4-8.1 QB ALA 22 - HD2 LYS 20 far 0 73 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 73 0 - 7.2-11.2 HG LEU 29 - HD3 LYS 20 far 0 67 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 67 0 - 7.8-8.7 QB ALA 22 - HD3 LYS 90 far 0 99 0 - 8.1-9.7 HD2 LYS 40 - HD3 LYS 47 far 0 53 0 - 8.1-11.9 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 8.4-11.3 HG2 LYS 13 - HD3 LYS 90 far 0 100 0 - 8.5-11.8 HG12 ILE 7 - HD3 LYS 90 far 0 100 0 - 8.6-11.6 QB ALA 22 - HG12 ILE 15 far 0 100 0 - 8.6-9.9 HD2 LYS 40 - HD2 LYS 47 far 0 52 0 - 8.7-11.7 HG3 ARG 91 - HD2 LYS 20 far 0 58 0 - 8.7-12.8 HD3 LYS 40 - HD3 LYS 47 far 0 51 0 - 8.8-13.2 HG2 LYS 12 - HD2 LYS 20 far 0 66 0 - 9.0-12.7 HG LEU 29 - HD3 LYS 90 far 0 99 0 - 9.1-12.9 HG2 LYS 20 - HD2 LYS 12 far 0 46 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 74 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 69 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 67 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 65 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 46 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 89 0 - 9.4-11.3 HD3 LYS 40 - HD2 LYS 47 far 0 50 0 - 9.5-13.1 HG2 LYS 20 - HG12 ILE 15 far 0 79 0 - 9.5-9.9 HG2 LYS 12 - HD3 LYS 20 far 0 61 0 - 9.6-13.2 HG3 LYS 39 - HD2 LYS 47 far 0 83 0 - 9.6-16.2 HG LEU 29 - HD2 LYS 12 far 0 66 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 53 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 10334 from cnoeabs.peaks (3.86, 1.34, 18.52 ppm; 3.57 A): 2 out of 6 assignments used, quality = 0.98: HA LYS 94 + QB ALA 25 OK 94 100 100 95 2.8-3.9 4174=42, 4355/10073=42...(17) HA ALA 22 + QB ALA 25 OK 67 71 100 94 2.3-3.3 6394/6408=36...(22) HA ARG 91 - QB ALA 25 far 0 81 0 - 7.1-8.4 HA2 GLY 100 - QB ALA 25 far 0 100 0 - 7.2-9.6 HA3 GLY 101 - QB ALA 25 far 0 71 0 - 8.9-12.0 HA2 GLY 101 - QB ALA 25 far 0 100 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 10335 from cnoeabs.peaks (1.37, 0.83, 22.02 ppm; 3.91 A): 3 out of 10 assignments used, quality = 1.00: HG12 ILE 8 + QG2 VAL 32 OK 100 100 100 100 2.0-3.8 12204/2.1=71, ~12203=46...(26) HB3 ARG 30 + QG2 VAL 32 OK 82 100 100 82 3.7-4.6 8699/10154=25...(15) QB ALA 67 + QG2 VAL 32 OK 53 73 100 73 3.2-4.5 10338/2.1=24...(15) HB2 LEU 70 - QG2 VAL 32 far 0 100 0 - 6.9-8.0 HG2 LYS 39 - QG2 VAL 32 far 0 87 0 - 7.1-9.6 HG3 LYS 40 - QG2 VAL 32 far 0 99 0 - 7.3-9.3 QB ALA 89 - QG2 VAL 32 far 0 77 0 - 7.6-8.4 HG LEU 14 - QG2 VAL 32 far 0 93 0 - 8.9-10.1 HB2 LYS 82 - QG2 VAL 32 far 0 84 0 - 9.7-11.7 HG3 LYS 68 - QG2 VAL 32 far 0 92 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10336 from cnoeabs.peaks (1.34, 0.91, 23.40 ppm; 3.98 A): 2 out of 8 assignments used, quality = 0.96: HG12 ILE 8 + QG1 VAL 32 OK 89 90 100 100 3.5-5.3 12204/2.1=65, ~12203=48...(21) QB ALA 67 + QG1 VAL 32 OK 68 100 100 68 3.4-4.8 10338/2.1=21...(14) HB3 ARG 30 - QG1 VAL 32 far 8 77 10 - 5.3-6.4 HG2 LYS 39 - QG1 VAL 32 far 0 100 0 - 5.7-8.0 HB2 LEU 70 - QG1 VAL 32 far 0 81 0 - 6.3-7.4 HG3 LYS 40 - QG1 VAL 32 far 0 94 0 - 6.5-8.3 HB3 LEU 42 - QG1 VAL 32 far 0 61 0 - 7.5-8.5 QB ALA 89 - QG1 VAL 32 far 0 100 0 - 9.5-10.3 Violated in 3 structures by 0.04 A. Peak 10337 from cnoeabs.peaks (1.17, 0.83, 22.02 ppm; 3.45 A): 2 out of 6 assignments used, quality = 0.98: HB2 LEU 6 + QG2 VAL 32 OK 97 100 100 97 2.3-3.1 1.8/10160=60, 10229=46...(22) QG2 THR 31 + QG2 VAL 32 OK 45 70 100 64 4.1-4.8 4.0/6511=25...(10) QG2 THR 34 - QG2 VAL 32 far 0 100 0 - 6.1-6.5 HB2 LEU 57 - QG2 VAL 32 far 0 91 0 - 7.2-8.5 HG2 LYS 40 - QG2 VAL 32 far 0 95 0 - 7.4-9.2 HB2 LEU 29 - QG2 VAL 32 far 0 96 0 - 8.2-8.7 Violated in 0 structures by 0.00 A. Peak 10338 from cnoeabs.peaks (1.36, 1.94, 34.49 ppm; 4.46 A): 2 out of 10 assignments used, quality = 1.00: HG12 ILE 8 + HB VAL 32 OK 100 100 100 100 1.9-4.1 12204=100, 2.1/12200=90...(22) QB ALA 67 + HB VAL 32 OK 73 88 100 83 4.4-5.6 10336/2.1=31...(12) HB3 ARG 30 - HB VAL 32 far 0 99 0 - 6.8-7.9 HG12 ILE 8 - HB2 LYS 33 far 0 70 0 - 7.6-9.6 HG12 ILE 8 - HB3 LYS 33 far 0 66 0 - 7.9-9.9 HB2 LEU 70 - HB VAL 32 far 0 99 0 - 8.6-10.0 QB ALA 67 - HB3 LYS 33 far 0 52 0 - 8.6-9.8 HG2 LYS 39 - HB VAL 32 far 0 96 0 - 8.9-11.8 QB ALA 67 - HB2 LYS 33 far 0 56 0 - 8.9-10.3 QB ALA 89 - HB VAL 32 far 0 91 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 10339 from cnoeabs.peaks (2.00, 1.30, 40.51 ppm; 4.45 A): 3 out of 10 assignments used, quality = 1.00: QE MET 74 + HB3 LEU 42 OK 100 100 100 100 3.6-4.8 9605/3.1=74...(32) HB3 MET 74 + HB3 LEU 42 OK 68 71 100 95 3.5-5.5 4.2/9603=26, 8916/1.8=25...(22) HB2 ARG 46 + HB3 LEU 42 OK 22 91 55 44 4.2-7.3 3.0/1921=13...(7) HB3 ARG 46 - HB3 LEU 42 poor 15 65 55 41 4.1-7.5 3.0/1921=13...(6) HB2 GLU 44 - HB3 LEU 42 far 0 100 0 - 6.6-8.5 HB3 GLU 44 - HB3 LEU 42 far 0 100 0 - 7.0-8.7 HB2 LYS 73 - HB3 LEU 42 far 0 61 0 - 7.2-9.0 HB3 LYS 73 - HB3 LEU 42 far 0 59 0 - 8.5-10.2 HB2 LYS 47 - HB3 LEU 42 far 0 82 0 - 8.9-11.7 HB2 GLU 37 - HB3 LEU 42 far 0 94 0 - 9.8-11.4 Violated in 0 structures by 0.00 A. Peak 10340 from cnoeabs.peaks (2.00, 1.90, 26.36 ppm; 4.39 A): 1 out of 6 assignments used, quality = 1.00: QE MET 74 + HG LEU 42 OK 100 100 100 100 3.3-5.5 9605/2.1=87...(33) HB2 GLU 44 - HG LEU 42 far 0 100 0 - 6.7-8.9 HB2 ARG 46 - HG LEU 42 far 0 77 0 - 6.8-9.9 HB3 GLU 44 - HG LEU 42 far 0 100 0 - 6.9-8.9 HB2 GLU 37 - HG LEU 42 far 0 82 0 - 7.1-8.7 HB2 GLU 35 - HG LEU 42 far 0 100 0 - 9.3-11.0 Violated in 14 structures by 0.49 A. Peak 10341 from cnoeabs.peaks (1.98, 0.77, 21.93 ppm; 4.10 A): 2 out of 13 assignments used, quality = 0.89: QE MET 74 + QD2 LEU 42 OK 86 87 100 99 4.0-5.4 9605/2.1=66...(26) HB3 MET 74 + QD2 LEU 42 OK 22 96 25 92 4.5-6.6 ~9615=27, 2.9/10595=22...(20) HB2 ARG 46 - QD2 LEU 42 far 15 100 15 - 5.3-8.0 HB3 ARG 46 - QD2 LEU 42 far 5 94 5 - 5.5-8.6 HB2 GLU 44 - QD2 LEU 42 far 0 88 0 - 5.9-8.0 HB VAL 32 - QD2 LEU 42 far 0 63 0 - 6.0-8.2 HB2 GLU 37 - QD2 LEU 42 far 0 100 0 - 6.6-8.9 HB3 GLU 44 - QD2 LEU 42 far 0 88 0 - 6.7-8.3 HB2 LYS 73 - QD2 LEU 42 far 0 92 0 - 7.0-8.5 HB3 LYS 73 - QD2 LEU 42 far 0 91 0 - 8.3-9.7 HB2 GLU 35 - QD2 LEU 42 far 0 77 0 - 8.5-10.6 QE MET 1 - QD2 LEU 42 far 0 100 0 - 9.0-11.9 HB2 LYS 47 - QD2 LEU 42 far 0 99 0 - 9.1-11.5 Violated in 19 structures by 0.57 A. Peak 10342 from cnoeabs.peaks (2.00, 0.69, 25.64 ppm; 3.99 A): 3 out of 10 assignments used, quality = 1.00: QE MET 74 + QD1 LEU 42 OK 100 100 100 100 1.8-3.6 9605=98, 10340/2.1=61...(42) HB3 MET 74 + QD1 LEU 42 OK 56 61 95 96 3.4-5.5 4.2/9605=47, 2.9/9615=40...(21) HB3 GLU 17 + QD1 LEU 14 OK 24 96 30 83 4.2-6.6 593/4.0=37, 6269/8398=17...(14) HB2 ARG 46 - QD1 LEU 42 far 0 84 0 - 5.8-8.4 HG12 ILE 93 - QD1 LEU 14 far 0 58 0 - 6.4-8.1 HB2 GLU 37 - QD1 LEU 42 far 0 88 0 - 6.6-8.7 HB2 GLU 35 - QD1 LEU 42 far 0 100 0 - 7.0-8.6 HB2 GLU 44 - QD1 LEU 42 far 0 100 0 - 7.1-9.0 HB3 GLU 44 - QD1 LEU 42 far 0 100 0 - 7.4-9.0 HB2 LYS 47 - QD1 LEU 42 far 0 73 0 - 9.5-12.1 Violated in 0 structures by 0.00 A. Peak 10343 from cnoeabs.peaks (1.99, 3.70, 58.24 ppm; 3.73 A): 2 out of 9 assignments used, quality = 0.71: HB2 GLU 44 + HA LEU 42 OK 62 97 80 80 4.6-6.6 4.7/6719=33, 3.9/6703=31...(13) QE MET 74 + HA LEU 42 OK 24 96 25 99 4.9-6.0 9585/3.6=46, 9605/4.0=41...(18) HB3 ARG 46 - HA LEU 42 poor 16 82 20 - 4.8-7.8 HB2 ARG 46 - HA LEU 42 far 15 98 15 - 4.7-7.7 HB3 GLU 44 - HA LEU 42 far 5 97 5 - 5.0-6.8 HB3 MET 74 - HA LEU 42 far 0 87 0 - 5.6-7.4 HB2 LYS 47 - HA LEU 42 far 0 94 0 - 8.0-10.7 HB2 GLU 37 - HA LEU 42 far 0 99 0 - 9.0-10.7 HB2 LYS 73 - HA LEU 42 far 0 79 0 - 9.3-11.1 Violated in 20 structures by 0.89 A. Peak 10345 from cnoeabs.peaks (2.26, 3.70, 58.24 ppm; 4.45 A): 0 out of 1 assignment used, quality = 0.00: HB2 TYR 4 - HA LEU 42 poor 18 71 25 - 5.7-6.8 Violated in 20 structures by 1.71 A. Peak 10347 from cnoeabs.peaks (1.97, 3.85, 55.14 ppm; 3.97 A): 4 out of 18 assignments used, quality = 1.00: HB3 MET 74 + HA ALA 71 OK 96 100 100 96 2.8-4.7 2.9/9552=43, 2.9/9613=41...(18) HB2 LYS 73 + HA ALA 71 OK 81 99 95 86 5.0-5.5 9555/3.6=41, 4.1/9579=38...(8) QE MET 74 + HA ALA 71 OK 67 70 100 96 1.9-4.7 3.4/9552=40, 3.4/9613=38...(25) HB3 LYS 24 + HA ALA 22 OK 31 60 75 70 5.1-5.7 4.4/6394=39, 4.0/6375=21...(9) QE MET 74 - HA ALA 67 far 2 48 5 - 5.3-7.8 HB3 ARG 46 - HA ALA 71 far 0 99 0 - 6.1-9.3 HB2 ARG 46 - HA ALA 71 far 0 100 0 - 6.3-9.6 HB2 LYS 24 - HA ALA 22 far 0 60 0 - 6.3-7.1 HB VAL 32 - HA ALA 67 far 0 59 0 - 6.5-8.0 HB3 LYS 73 - HA ALA 71 far 0 99 0 - 6.5-7.1 HB3 LYS 20 - HA ALA 22 far 0 36 0 - 7.5-8.1 HB2 LYS 73 - HA ALA 67 far 0 77 0 - 7.6-8.8 HB3 ARG 19 - HA ALA 22 far 0 30 0 - 7.7-8.6 HB2 GLU 37 - HA ALA 67 far 0 77 0 - 8.1-10.5 HB3 MET 74 - HA ALA 67 far 0 79 0 - 8.7-10.5 HB3 LYS 73 - HA ALA 67 far 0 76 0 - 9.3-10.5 HB2 GLU 17 - HA ALA 22 far 0 44 0 - 9.5-11.1 HB3 GLU 17 - HA ALA 22 far 0 29 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10348 from cnoeabs.peaks (1.89, 5.19, 58.80 ppm; 3.68 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 54 + HA VAL 78 OK 100 100 100 100 1.9-3.3 11103=80, 6896/11101=52...(21) HG LEU 42 - HA VAL 78 far 0 100 0 - 7.0-9.8 HB3 LYS 68 - HA VAL 78 far 0 94 0 - 8.9-11.0 HB VAL 5 - HA VAL 78 far 0 81 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 10349 from cnoeabs.peaks (1.89, 1.78, 35.29 ppm; 4.20 A): 2 out of 5 assignments used, quality = 0.99: HB VAL 54 + HB VAL 78 OK 99 99 100 100 1.8-3.6 11104=96, 10348/3.0=70...(22) HG LEU 42 + HB VAL 78 OK 33 100 40 82 5.0-7.9 2.1/1945=26, ~10653=20...(17) HB3 LYS 68 - HB VAL 78 far 0 88 0 - 8.0-9.4 HB VAL 5 - HB VAL 78 far 0 71 0 - 9.3-10.5 HB3 LYS 39 - HB VAL 78 far 0 73 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 10350 from cnoeabs.peaks (1.88, 0.72, 21.10 ppm; 2.99 A): 3 out of 28 assignments used, quality = 0.98: HB VAL 54 + QG2 VAL 78 OK 87 99 95 92 3.6-5.0 12126=34, 11104/2.1=33...(21) HB VAL 5 + QG1 VAL 5 OK 70 70 100 100 2.1-2.1 2.1=100 HB VAL 54 + QG1 VAL 78 OK 58 65 100 90 2.1-2.9 11104/2.1=33...(17) HG LEU 42 - QG1 VAL 78 poor 11 56 45 45 3.9-5.7 ~1945=10, 10349/2.1=7...(14) HB2 LYS 68 - QG2 VAL 78 poor 8 63 35 34 3.8-6.4 3.0/10905=7, 1.8/10567=7...(11) HB3 LYS 68 - QG2 VAL 78 far 0 100 0 - 4.9-6.3 HG LEU 42 - QG2 VAL 78 far 0 91 0 - 4.9-6.4 HB VAL 54 - QG1 VAL 5 far 0 73 0 - 6.2-7.8 HB2 ARG 19 - QG1 VAL 5 far 0 67 0 - 6.2-7.9 HB2 LYS 68 - QG1 VAL 78 far 0 36 0 - 6.2-8.4 HB2 LYS 53 - QG1 VAL 78 far 0 40 0 - 6.4-7.2 HB3 LYS 39 - QG1 VAL 78 far 0 63 0 - 6.7-8.4 HB3 LYS 68 - QG1 VAL 78 far 0 67 0 - 7.2-8.4 HB3 LYS 39 - QG2 VAL 78 far 0 98 0 - 7.3-9.4 HB2 LYS 53 - QG1 VAL 5 far 0 45 0 - 7.4-8.6 HB ILE 8 - QG1 VAL 5 far 0 64 0 - 7.6-8.9 HB2 LYS 53 - QG2 VAL 78 far 0 70 0 - 7.7-8.7 HB2 GLU 43 - QG1 VAL 78 far 0 44 0 - 8.0-9.2 HB3 LYS 66 - QG2 VAL 78 far 0 97 0 - 8.0-9.3 HG LEU 42 - QG1 VAL 5 far 0 63 0 - 8.7-10.9 HB2 LYS 20 - QG1 VAL 5 far 0 70 0 - 9.0-10.2 HB3 GLU 104 - QG2 VAL 78 far 0 100 0 - 9.1-14.4 HB3 LEU 14 - QG1 VAL 5 far 0 56 0 - 9.1-9.5 HB VAL 5 - QG1 VAL 78 far 0 62 0 - 9.1-9.9 HB ILE 8 - QG2 VAL 78 far 0 92 0 - 9.1-10.2 HB3 GLU 104 - QG1 VAL 5 far 0 75 0 - 9.1-15.4 HB VAL 5 - QG2 VAL 78 far 0 97 0 - 9.3-10.7 HB3 LYS 66 - QG1 VAL 78 far 0 62 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 10351 from cnoeabs.peaks (1.88, 0.74, 21.24 ppm; 2.92 A): 5 out of 29 assignments used, quality = 1.00: HB VAL 54 + QG1 VAL 78 OK 92 99 100 93 2.1-2.9 11104/2.1=31, 2491=31...(20) HB VAL 54 + QG1 VAL 54 OK 80 80 100 100 2.1-2.1 2.1=100 HB VAL 54 + QG2 VAL 78 OK 54 65 95 88 3.6-5.0 11104/2.1=31...(18) HG LEU 42 + QG1 VAL 54 OK 22 70 60 52 3.6-6.3 3.0/10653=13...(13) HG LEU 42 + QG1 VAL 78 OK 22 91 40 60 3.9-5.7 2.1/1941=13...(15) HB2 LYS 68 - QG2 VAL 78 poor 11 36 30 - 3.8-6.4 HB3 LYS 68 - QG2 VAL 78 far 0 67 0 - 4.9-6.3 HG LEU 42 - QG2 VAL 78 far 0 56 0 - 4.9-6.4 HB VAL 5 - QG1 VAL 54 far 0 77 0 - 5.0-6.0 HB2 LYS 53 - QG1 VAL 54 far 0 51 0 - 5.6-6.2 HB2 LYS 68 - QG1 VAL 78 far 0 63 0 - 6.2-8.4 HB2 LYS 53 - QG1 VAL 78 far 0 70 0 - 6.4-7.2 HB3 LYS 39 - QG1 VAL 78 far 0 98 0 - 6.7-8.4 HB3 LYS 68 - QG1 VAL 78 far 0 100 0 - 7.2-8.4 HB3 LYS 39 - QG2 VAL 78 far 0 63 0 - 7.3-9.4 HB2 LYS 68 - QG1 VAL 54 far 0 46 0 - 7.6-11.5 HB2 LYS 53 - QG2 VAL 78 far 0 40 0 - 7.7-8.7 HB2 GLU 43 - QG1 VAL 78 far 0 75 0 - 8.0-9.2 HB3 LYS 66 - QG2 VAL 78 far 0 62 0 - 8.0-9.3 HB3 LYS 39 - QG1 VAL 54 far 0 78 0 - 8.1-9.8 HB3 LYS 68 - QG1 VAL 54 far 0 83 0 - 8.5-11.0 HB2 GLU 43 - QG1 VAL 54 far 0 56 0 - 8.6-9.9 HB3 GLU 104 - QG2 VAL 78 far 0 67 0 - 9.1-14.4 HB ILE 8 - QG1 VAL 54 far 0 71 0 - 9.1-9.9 HB VAL 5 - QG1 VAL 78 far 0 97 0 - 9.1-9.9 HB ILE 8 - QG2 VAL 78 far 0 57 0 - 9.1-10.2 HB VAL 5 - QG2 VAL 78 far 0 62 0 - 9.3-10.7 HB3 LYS 66 - QG1 VAL 78 far 0 97 0 - 9.6-10.9 HB3 LYS 66 - QG1 VAL 54 far 0 77 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 10352 from cnoeabs.peaks (0.80, 1.97, 32.41 ppm; 4.38 A): 4 out of 22 assignments used, quality = 0.99: QD2 LEU 70 + HB2 LYS 73 OK 86 91 100 94 3.9-5.7 12297/3.0=48...(13) QD2 LEU 70 + HB3 LYS 73 OK 76 90 90 94 4.8-6.9 12297/3.0=48...(17) QD1 LEU 70 + HB2 LYS 73 OK 61 87 85 82 4.1-6.0 ~12297=32, 4.0/10815=29...(13) QD2 LEU 2 + HB2 MET 1 OK 26 53 50 97 3.4-7.2 12305/3.0=34...(16) QD1 LEU 70 - HB3 LYS 73 far 4 86 5 - 5.3-7.3 QD1 LEU 27 - HB3 LYS 24 far 2 41 5 - 5.8-7.1 QG2 ILE 52 - HB2 MET 1 far 0 41 0 - 6.0-8.0 QD1 ILE 76 - HB2 LYS 73 far 0 92 0 - 6.0-6.6 QG2 ILE 52 - HB2 LYS 47 far 0 87 0 - 6.1-7.8 QD1 ILE 76 - HB2 LYS 47 far 0 100 0 - 6.1-8.8 QD1 ILE 93 - HB3 LYS 24 far 0 42 0 - 6.4-7.3 QD1 ILE 76 - HB3 LYS 73 far 0 91 0 - 6.8-7.5 QD2 LEU 2 - HB2 LYS 47 far 0 100 0 - 6.9-10.3 QD1 LEU 27 - HB2 LYS 24 far 0 41 0 - 7.0-8.4 QD2 LEU 42 - HB2 LYS 73 far 0 55 0 - 7.0-8.5 QD1 ILE 93 - HB2 LYS 24 far 0 42 0 - 7.4-8.6 QD1 LEU 27 - HB2 MET 1 far 0 31 0 - 7.9-10.9 QD2 LEU 38 - HB2 LYS 73 far 0 80 0 - 8.0-10.4 QD2 LEU 103 - HB2 MET 1 far 0 41 0 - 8.3-16.2 QD2 LEU 42 - HB3 LYS 73 far 0 54 0 - 8.3-9.7 QD2 LEU 42 - HB2 LYS 47 far 0 65 0 - 9.1-11.5 QD2 LEU 38 - HB3 LYS 73 far 0 79 0 - 9.4-11.8 Violated in 0 structures by 0.00 A. Peak 10353 from cnoeabs.peaks (3.90, 2.42, 30.51 ppm; 6.14 A): 3 out of 4 assignments used, quality = 0.70: HA2 GLY 100 + HG3 MET 1 OK 44 70 100 64 4.4-7.4 12051/8021=29...(8) HA2 GLY 101 + HG3 MET 1 OK 31 70 60 75 5.2-9.2 ~10100=27, 10108/8022=25...(10) HA3 GLY 101 + HG3 MET 1 OK 22 100 25 87 5.0-10.0 10108/8022=40...(11) HB2 SER 102 - HG3 MET 1 far 0 100 0 - 8.4-13.6 Violated in 1 structures by 0.00 A. Peak 10354 from cnoeabs.peaks (4.15, 1.70, 43.59 ppm; 6.01 A): 1 out of 1 assignment used, quality = 1.00: HA MET 1 + HB2 LEU 2 OK 100 100 100 100 4.3-5.7 8/4.0=93, 10355/1.8=86...(13) Violated in 0 structures by 0.00 A. Peak 10355 from cnoeabs.peaks (4.16, 1.33, 43.59 ppm; 5.86 A): 1 out of 1 assignment used, quality = 1.00: HA MET 1 + HB3 LEU 2 OK 100 100 100 100 4.4-5.7 8/4.0=91, 8002/3.0=82...(16) Violated in 0 structures by 0.00 A. Peak 10356 from cnoeabs.peaks (5.35, 1.51, 26.80 ppm; 5.44 A): 3 out of 6 assignments used, quality = 1.00: HA ILE 52 + HG LEU 2 OK 97 97 100 100 1.9-4.6 8049/2.1=83...(29) HA THR 80 + HG2 ARG 79 OK 72 72 100 99 4.1-6.7 ~7299=54, ~7300=34...(21) HA THR 80 + HG3 ARG 79 OK 66 70 95 99 5.1-7.2 ~7299=54, ~7300=34...(21) HA THR 80 - HG LEU 6 far 11 75 15 - 6.5-9.1 HA ILE 52 - HG2 ARG 79 far 0 78 0 - 9.1-13.7 HA ILE 52 - HG3 ARG 79 far 0 76 0 - 9.9-14.2 Violated in 0 structures by 0.00 A. Peak 10358 from cnoeabs.peaks (6.45, 1.51, 26.80 ppm; 4.53 A): 4 out of 8 assignments used, quality = 1.00: QE TYR 4 + HG LEU 2 OK 100 100 100 100 2.3-4.8 8039/3.0=52, 8042/2.1=47...(28) QD TYR 4 + HG LEU 2 OK 74 99 75 100 3.6-6.4 8041/2.1=40, 8042/2.1=40...(29) QD TYR 4 + HG3 ARG 30 OK 38 52 85 85 4.4-6.5 8702/1.8=33, ~8702=21...(13) QD TYR 4 + HG LEU 6 OK 20 83 25 99 5.8-7.3 8209/2.1=82, ~8230=25...(21) QE TYR 4 - HG3 ARG 30 far 3 55 5 - 6.0-7.9 QE TYR 4 - HG LEU 6 far 0 87 0 - 7.8-9.1 QD TYR 4 - HG3 ARG 79 far 0 79 0 - 8.1-12.1 QD TYR 4 - HG2 ARG 79 far 0 81 0 - 8.5-11.9 Violated in 0 structures by 0.00 A. Peak 10362 from cnoeabs.peaks (1.69, 0.46, 24.71 ppm; 5.13 A): 2 out of 6 assignments used, quality = 1.00: HB3 LYS 53 + QD1 LEU 3 OK 100 100 100 100 4.5-5.6 8114/2.1=99, ~9186=77...(23) HB2 LEU 2 + QD1 LEU 3 OK 96 96 100 100 4.7-6.3 3.0/8050=67, 4.6/132=63...(18) HB ILE 52 - QD1 LEU 3 far 5 96 5 - 6.5-8.7 HB3 ARG 79 - QD1 LEU 3 far 0 73 0 - 7.8-11.0 HD2 LYS 24 - QD1 LEU 3 far 0 99 0 - 8.7-12.1 HD3 LYS 24 - QD1 LEU 3 far 0 99 0 - 9.3-12.0 Violated in 0 structures by 0.00 A. Peak 10363 from cnoeabs.peaks (2.42, 1.30, 27.70 ppm; 5.69 A): 1 out of 4 assignments used, quality = 1.00: HG3 MET 1 + HG LEU 3 OK 100 100 100 100 2.4-5.6 8022/2.1=100...(26) HG3 GLU 99 - HG LEU 3 far 9 92 10 - 6.6-11.0 HG3 GLU 48 - HG LEU 3 far 0 99 0 - 9.0-11.7 HG2 GLN 50 - HG LEU 3 far 0 94 0 - 9.4-13.7 Violated in 0 structures by 0.00 A. Peak 10365 from cnoeabs.peaks (8.48, 1.15, 44.04 ppm; 5.25 A): 3 out of 5 assignments used, quality = 1.00: H LYS 53 + HB3 LEU 3 OK 99 99 100 100 3.9-5.7 9182/3.1=84, 9183=67...(9) H VAL 54 + HB3 LEU 3 OK 67 98 70 99 4.7-7.8 11100/6035=61...(13) H LEU 2 + HB3 LEU 3 OK 40 73 55 99 5.9-7.2 ~8081=49, 3.0/8083=48...(11) H ARG 79 - HB3 LEU 3 far 0 90 0 - 7.9-11.1 H LEU 29 - HB3 LEU 3 far 0 84 0 - 8.1-10.2 Violated in 0 structures by 0.00 A. Peak 10366 from cnoeabs.peaks (1.73, 5.14, 56.58 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.97: HB2 GLU 28 + HA TYR 4 OK 97 97 100 100 2.9-4.1 8656=95, 1.8/8657=91...(11) HB2 LEU 2 - HA TYR 4 far 4 82 5 - 6.5-8.3 HG3 ARG 19 - HA TYR 4 far 0 73 0 - 9.6-11.7 Violated in 0 structures by 0.00 A. Peak 10367 from cnoeabs.peaks (4.67, 0.95, 22.19 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: HA LEU 55 + QG2 VAL 5 OK 100 100 100 100 4.2-5.4 3.0/8198=76...(21) HA LEU 27 + QG2 VAL 5 OK 96 97 100 99 4.2-5.3 3.0/8633=75, 3.0/8634=73...(11) Violated in 0 structures by 0.00 A. Peak 10368 from cnoeabs.peaks (3.81, 1.86, 33.82 ppm; 6.50 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 22 + HB VAL 5 OK 98 98 100 100 4.5-5.3 ~8578=87, 8576/2.1=68...(14) HA ARG 19 + HB VAL 5 OK 93 100 100 93 5.0-6.0 8512/8191=42...(9) HA ALA 18 + HB VAL 5 OK 43 59 100 73 6.1-7.7 2.1/8486=25...(8) HA SER 97 - HB VAL 5 far 0 100 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 10369 from cnoeabs.peaks (8.25, 0.73, 20.80 ppm; 5.48 A): 4 out of 10 assignments used, quality = 0.99: H LYS 94 + QG1 VAL 5 OK 82 99 100 83 5.7-6.6 11011/8195=55...(7) H ALA 71 + QG2 VAL 78 OK 75 75 100 100 3.7-4.2 ~9685=69, ~10658=65...(26) H GLU 23 + QG1 VAL 5 OK 62 90 95 73 6.1-7.0 3.6/10192=32...(8) H SER 97 + QG1 VAL 5 OK 31 61 80 63 6.0-7.2 4.5/8171=29...(6) H LEU 27 - QG1 VAL 5 far 15 98 15 - 6.9-7.9 H GLU 104 - QG2 VAL 78 far 0 40 0 - 7.2-13.8 H LEU 103 - QG2 VAL 78 far 0 47 0 - 7.8-12.2 H PHE 45 - QG2 VAL 78 far 0 75 0 - 7.9-9.6 H GLU 104 - QG1 VAL 5 far 0 61 0 - 8.7-14.6 H LEU 103 - QG1 VAL 5 far 0 71 0 - 8.9-12.8 Violated in 0 structures by 0.00 A. Peak 10370 from cnoeabs.peaks (8.25, 0.95, 22.19 ppm; 5.20 A): 4 out of 6 assignments used, quality = 1.00: H LEU 27 + QG2 VAL 5 OK 97 98 100 99 4.7-6.0 4.0/8633=70, 4.0/8634=68...(10) H LYS 94 + QG2 VAL 5 OK 95 99 100 96 5.3-6.2 4.3/10322=72...(6) H GLU 23 + QG2 VAL 5 OK 84 90 100 93 5.3-6.5 3.6/8578=62, 3.6/8576=43...(8) H SER 97 + QG2 VAL 5 OK 52 61 100 85 4.6-5.4 4.5/8169=44...(10) H LEU 103 - QG2 VAL 5 far 0 71 0 - 8.0-12.2 H GLU 104 - QG2 VAL 5 far 0 61 0 - 8.8-13.2 Violated in 0 structures by 0.00 A. Peak 10372 from cnoeabs.peaks (1.83, 5.47, 52.09 ppm; 5.87 A): 2 out of 4 assignments used, quality = 1.00: HB3 LEU 57 + HA LEU 6 OK 98 99 100 99 5.5-6.5 8269/6072=55...(20) HB VAL 5 + HA LEU 6 OK 81 81 100 100 4.4-4.8 2.1/8178=92, ~178=77...(23) HB ILE 93 - HA LEU 6 far 0 77 0 - 9.4-10.1 HB2 LEU 42 - HA LEU 6 far 0 84 0 - 9.9-11.2 Violated in 0 structures by 0.00 A. Peak 10373 from cnoeabs.peaks (0.99, 0.62, 13.69 ppm; 4.29 A): 3 out of 5 assignments used, quality = 0.94: QG1 VAL 83 + QD1 ILE 7 OK 80 96 100 83 4.0-5.2 9810/12172=28...(13) QG2 VAL 83 + QD1 ILE 7 OK 61 75 100 82 3.1-3.9 10403/10272=30...(17) HG LEU 55 + QD1 ILE 7 OK 27 77 95 36 5.2-5.9 9356/8287=14...(8) HB3 LEU 55 - QD1 ILE 7 far 0 71 0 - 6.1-7.9 QG2 THR 80 - QD1 ILE 7 far 0 97 0 - 7.0-8.1 Violated in 0 structures by 0.00 A. Peak 10374 from cnoeabs.peaks (3.92, 1.42, 27.84 ppm; 5.86 A): 2 out of 3 assignments used, quality = 1.00: HB3 SER 9 + HG12 ILE 7 OK 100 100 100 100 4.2-5.1 8328/1.8=97, 8331/2.1=96...(21) HA ALA 89 + HG12 ILE 7 OK 76 85 100 90 5.2-6.2 8259/2.1=43, ~12172=40...(10) HB2 SER 85 - HG12 ILE 7 far 0 88 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 10375 from cnoeabs.peaks (2.99, 1.42, 27.84 ppm; 5.66 A): 1 out of 5 assignments used, quality = 1.00: HB2 SER 9 + HG12 ILE 7 OK 100 100 100 100 3.6-4.5 8322/1.8=97, 8325/2.1=95...(21) HB3 ASP 11 - HG12 ILE 7 far 10 100 10 - 6.3-8.7 HE2 LYS 33 - HG12 ILE 7 far 0 84 0 - 8.7-12.1 HE3 LYS 33 - HG12 ILE 7 far 0 84 0 - 9.9-12.0 HE2 LYS 13 - HG12 ILE 7 far 0 70 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 10377 from cnoeabs.peaks (8.91, 0.62, 13.69 ppm; 5.34 A): 2 out of 3 assignments used, quality = 1.00: H LEU 57 + QD1 ILE 7 OK 97 97 100 100 3.4-4.1 8246/2.1=83, 9332/4.2=76...(28) H ARG 19 + QD1 ILE 7 OK 96 96 100 100 4.1-5.0 6281/10378=67...(19) H VAL 5 - QD1 ILE 7 far 5 100 5 - 6.8-7.6 Violated in 0 structures by 0.00 A. Peak 10378 from cnoeabs.peaks (8.65, 0.62, 13.69 ppm; 5.09 A): 1 out of 4 assignments used, quality = 1.00: H ALA 18 + QD1 ILE 7 OK 100 100 100 100 3.6-4.1 6263/8261=69...(25) H ASP 11 - QD1 ILE 7 far 0 90 0 - 6.9-7.7 H LEU 55 - QD1 ILE 7 far 0 96 0 - 7.0-8.0 H ASN 10 - QD1 ILE 7 far 0 99 0 - 7.6-8.5 Violated in 0 structures by 0.00 A. Peak 10379 from cnoeabs.peaks (8.08, 0.62, 13.69 ppm; 5.74 A): 3 out of 4 assignments used, quality = 1.00: H ILE 15 + QD1 ILE 7 OK 100 100 100 100 4.3-4.9 3.0/8261=96, 5.0/8469=73...(20) H GLU 17 + QD1 ILE 7 OK 93 97 100 96 5.5-6.2 6259/10378=76...(11) H LYS 90 + QD1 ILE 7 OK 64 75 100 85 4.5-5.1 3.6/12172=42...(13) H LYS 13 - QD1 ILE 7 far 0 100 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 10380 from cnoeabs.peaks (9.11, 0.62, 13.69 ppm; 6.37 A): 2 out of 2 assignments used, quality = 1.00: H ARG 30 + QD1 ILE 7 OK 98 99 100 99 4.7-5.8 8238/4.7=82, 1294/277=42...(14) H VAL 83 + QD1 ILE 7 OK 82 100 100 82 6.2-6.8 4.0/10373=43...(8) Violated in 0 structures by 0.00 A. Peak 10383 from cnoeabs.peaks (0.59, 1.90, 37.66 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.99: QG2 ILE 56 + HB ILE 8 OK 99 100 100 99 3.5-4.3 10673=60, 8313/3.2=43...(25) QD1 ILE 7 - HB ILE 8 far 4 81 5 - 6.1-6.7 Violated in 0 structures by 0.00 A. Peak 10384 from cnoeabs.peaks (4.59, 4.43, 58.24 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.97: HA ILE 8 + HA SER 9 OK 85 87 100 98 4.3-4.3 6102/2.9=78, ~6103=31...(17) HA ASP 77 + HA ILE 76 OK 78 78 100 100 4.3-4.4 3.0/7262=81...(15) HA THR 84 - HA SER 9 far 0 99 0 - 6.2-8.2 HA ASP 11 - HA SER 9 far 0 99 0 - 6.6-6.9 Violated in 0 structures by 0.00 A. Peak 10386 from cnoeabs.peaks (5.92, 2.93, 39.13 ppm; 5.54 A): 0 out of 0 assignments used, quality = 0.00: Peak 10391 from cnoeabs.peaks (0.77, 1.70, 29.09 ppm; 2.86 A): 6 out of 74 assignments used, quality = 0.99: QD1 ILE 15 + HD2 LYS 12 OK 78 98 100 80 3.7-4.3 681=31, 10393/3.0=20...(14) QD1 ILE 15 + HG12 ILE 15 OK 63 63 100 100 2.1-2.1 2.1=100 HG13 ILE 15 + HG12 ILE 15 OK 59 59 100 100 1.8-1.8 1.8=100 QG2 ILE 7 + HG12 ILE 15 OK 43 50 100 87 1.9-2.6 ~8469=16, ~10118=15...(28) QG2 ILE 15 + HG12 ILE 15 OK 35 36 100 98 2.8-3.0 3.2=72, 3.2/638=19...(27) QG2 ILE 15 + HD2 LYS 12 OK 23 63 65 56 3.6-4.6 3.0/681=15, 657=12...(11) QD1 ILE 15 - HD3 LYS 12 far 10 98 10 - 4.3-5.6 QG2 ILE 15 - HD3 LYS 12 far 0 63 0 - 4.9-5.9 QD1 ILE 93 - HD3 LYS 90 far 0 67 0 - 5.0-6.1 QD1 ILE 15 - HD2 LYS 13 far 0 92 0 - 5.4-6.2 HG13 ILE 15 - HD2 LYS 12 far 0 94 0 - 5.4-6.2 QD1 ILE 15 - HD3 LYS 13 far 0 92 0 - 5.5-6.2 QG2 ILE 93 - HD2 LYS 24 far 0 78 0 - 5.6-8.6 QG2 ILE 93 - HD3 LYS 24 far 0 78 0 - 5.6-8.5 QD1 LEU 27 - HD2 LYS 24 far 0 91 0 - 5.9-9.5 QD1 LEU 27 - HD3 LYS 24 far 0 92 0 - 6.0-8.9 QG2 ILE 15 - HD2 LYS 20 far 0 39 0 - 6.2-8.2 QD1 ILE 93 - HD2 LYS 20 far 0 72 0 - 6.2-8.8 QG2 ILE 7 - HD2 LYS 12 far 0 84 0 - 6.3-7.1 QD1 ILE 93 - HB3 ARG 91 far 0 76 0 - 6.4-7.3 HG13 ILE 15 - HD3 LYS 12 far 0 94 0 - 6.4-7.7 QG2 ILE 8 - HG12 ILE 15 far 0 62 0 - 6.4-7.0 QD1 ILE 76 - HD3 LYS 47 far 0 53 0 - 6.5-8.9 QG2 ILE 15 - HD3 LYS 20 far 0 34 0 - 6.5-8.8 QD1 ILE 93 - HG12 ILE 15 far 0 68 0 - 6.6-7.7 QD2 LEU 57 - HG12 ILE 15 far 0 54 0 - 6.6-8.3 QD1 ILE 93 - HD3 LYS 20 far 0 65 0 - 6.7-8.4 QD1 ILE 76 - HD2 LYS 47 far 0 51 0 - 6.8-9.2 QG2 ILE 93 - HD3 LYS 90 far 0 54 0 - 6.8-8.2 QD2 LEU 2 - HD3 LYS 47 far 0 41 0 - 6.8-12.7 QG2 ILE 7 - HD3 LYS 12 far 0 84 0 - 7.1-8.3 HG13 ILE 93 - HD3 LYS 90 far 0 46 0 - 7.1-9.1 QG2 ILE 93 - HB3 ARG 91 far 0 63 0 - 7.2-7.8 HG13 ILE 93 - HB3 ARG 91 far 0 53 0 - 7.2-9.6 QG2 ILE 15 - HD2 LYS 13 far 0 57 0 - 7.4-9.1 QD2 LEU 57 - HB3 ARG 91 far 0 61 0 - 7.4-9.0 QG2 ILE 93 - HD2 LYS 20 far 0 59 0 - 7.5-10.1 QG2 ILE 15 - HD3 LYS 13 far 0 57 0 - 7.5-8.9 QD1 ILE 93 - HD3 LYS 24 far 0 92 0 - 7.6-10.2 QG2 ILE 52 - HD3 LYS 47 far 0 73 0 - 7.7-10.1 QD1 LEU 6 - HG12 ILE 15 far 0 68 0 - 7.7-9.8 QD2 LEU 57 - HD3 LYS 90 far 0 53 0 - 7.8-9.9 QD1 ILE 93 - HD2 LYS 24 far 0 92 0 - 7.8-10.5 QG2 ILE 7 - HD2 LYS 13 far 0 77 0 - 7.9-9.4 QG2 ILE 7 - HD3 LYS 13 far 0 76 0 - 7.9-9.3 QD2 LEU 2 - HD2 LYS 47 far 0 40 0 - 8.1-13.4 QG2 ILE 15 - HD3 LYS 90 far 0 35 0 - 8.3-11.3 QG2 ILE 93 - HD3 LYS 20 far 0 52 0 - 8.3-9.8 HG13 ILE 15 - HD2 LYS 13 far 0 87 0 - 8.3-9.7 QG2 ILE 7 - HD2 LYS 20 far 0 54 0 - 8.4-10.2 QD1 ILE 15 - HD2 LYS 20 far 0 68 0 - 8.5-10.2 HG13 ILE 15 - HD3 LYS 13 far 0 87 0 - 8.5-9.6 QD1 ILE 93 - HD2 LYS 13 far 0 96 0 - 8.6-12.4 QD1 ILE 93 - HD3 LYS 13 far 0 96 0 - 8.6-12.9 QG2 ILE 7 - HD3 LYS 20 far 0 48 0 - 8.7-11.1 QG2 ILE 52 - HD2 LYS 47 far 0 71 0 - 8.7-10.0 QG2 ILE 7 - HD3 LYS 90 far 0 49 0 - 8.7-11.3 QD1 ILE 15 - HD3 LYS 20 far 0 60 0 - 8.7-10.7 QD1 ILE 15 - HD3 LYS 90 far 0 62 0 - 8.8-11.9 HG3 ARG 81 - HB3 ARG 91 far 0 47 0 - 9.0-10.9 QD2 LEU 42 - HD3 LYS 47 far 0 73 0 - 9.2-11.9 HG13 ILE 93 - HG12 ILE 15 far 0 46 0 - 9.4-10.7 QG2 ILE 8 - HD2 LYS 12 far 0 97 0 - 9.4-11.4 QD1 LEU 27 - HB3 ARG 91 far 0 76 0 - 9.4-10.4 QD1 LEU 27 - HD3 LYS 90 far 0 67 0 - 9.5-10.8 HG13 ILE 93 - HD2 LYS 20 far 0 50 0 - 9.5-12.9 QG2 ILE 93 - HG12 ILE 15 far 0 55 0 - 9.6-10.7 QG1 VAL 54 - HD3 LYS 47 far 0 71 0 - 9.6-12.9 QD2 LEU 42 - HD2 LYS 47 far 0 71 0 - 9.6-11.9 QG2 ILE 8 - HD3 LYS 12 far 0 97 0 - 9.7-12.8 QD1 LEU 27 - HD2 LYS 20 far 0 72 0 - 9.8-11.7 HG13 ILE 15 - HD2 LYS 20 far 0 63 0 - 9.8-11.9 QG1 VAL 78 - HD3 LYS 47 far 0 54 0 - 9.9-12.6 QG1 VAL 54 - HD2 LYS 47 far 0 69 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10392 from cnoeabs.peaks (0.78, 3.01, 41.80 ppm; 5.07 A): 4 out of 22 assignments used, quality = 0.98: QD1 ILE 15 + HE2 LYS 12 OK 93 95 100 99 2.8-5.9 8446/460=59...(15) QG2 ILE 15 + HE2 LYS 12 OK 56 71 85 91 4.7-6.6 10121/460=36...(12) QG2 ILE 7 + HE3 LYS 33 OK 23 81 80 35 5.7-7.9 8264/8729=16...(3) QD1 ILE 15 + HE2 LYS 33 OK 22 86 65 39 5.3-7.6 8467/8735=19...(4) QG2 ILE 7 - HE2 LYS 33 poor 18 81 60 37 4.6-7.5 8282/8735=17...(3) HG13 ILE 15 - HE3 LYS 33 poor 16 81 20 - 6.0-9.0 QG2 ILE 8 - HE2 LYS 33 poor 11 92 60 20 5.2-7.6 10647/6.4=10...(5) QD1 ILE 15 - HE3 LYS 33 poor 11 86 35 35 5.0-7.8 8447/8729=18...(3) HG13 ILE 15 - HE2 LYS 33 poor 10 81 50 24 5.6-8.5 8463/8735=14, 8444=5...(4) QD1 LEU 6 - HE2 LYS 33 far 9 94 10 - 6.1-10.7 HG13 ILE 15 - HE2 LYS 12 far 9 90 10 - 5.1-8.7 QG2 ILE 15 - HE2 LYS 33 poor 8 63 60 23 5.1-7.5 10123/8735=13...(3) QG2 ILE 8 - HE3 LYS 33 lone 8 92 45 19 6.2-7.5 10647/6.4=10...(4) QG2 ILE 15 - HE3 LYS 33 poor 6 63 45 21 5.6-7.8 10123/8735=12...(3) QG2 ILE 7 - HE2 LYS 12 far 4 90 5 - 6.2-8.9 QD1 LEU 6 - HE3 LYS 33 far 0 94 0 - 7.0-9.9 QG2 ILE 8 - HE2 LYS 12 far 0 99 0 - 8.7-12.5 QD2 LEU 42 - HE2 LYS 33 far 0 92 0 - 9.1-13.7 QD2 LEU 42 - HE3 LYS 33 far 0 92 0 - 9.9-13.4 QD1 LEU 70 - HE3 LYS 33 far 0 52 0 - 9.9-12.3 QD1 LEU 70 - HE2 LYS 33 far 0 52 0 - 10.0-12.2 QD2 LEU 70 - HE2 LYS 33 far 0 66 0 - 10.0-14.3 Violated in 1 structures by 0.01 A. Peak 10393 from cnoeabs.peaks (0.76, 2.96, 41.80 ppm; 4.79 A): 1 out of 39 assignments used, quality = 0.92: QD1 ILE 15 + HE3 LYS 12 OK 92 100 95 97 3.3-6.4 10396/3.0=46...(15) QD1 ILE 93 - HE3 LYS 90 poor 15 59 25 - 5.6-7.4 QG2 ILE 93 - HE3 LYS 24 far 10 97 10 - 5.6-9.9 HG13 ILE 15 - HE3 LYS 12 far 5 99 5 - 5.1-9.1 QG2 ILE 93 - HE2 LYS 24 far 5 97 5 - 6.1-9.5 QG2 ILE 7 - HE3 LYS 12 far 3 68 5 - 6.2-9.6 QD1 LEU 27 - HE3 LYS 24 far 0 100 0 - 6.7-10.1 QG2 ILE 52 - HE2 LYS 47 far 0 93 0 - 7.0-9.5 QD1 ILE 76 - HE3 LYS 47 far 0 60 0 - 7.0-9.9 QD1 LEU 27 - HE2 LYS 24 far 0 100 0 - 7.0-10.2 QG2 ILE 93 - HE3 LYS 90 far 0 56 0 - 7.1-9.2 QD1 ILE 15 - HE2 LYS 13 far 0 99 0 - 7.2-7.9 QD1 ILE 93 - HE3 LYS 24 far 0 100 0 - 7.2-11.0 QD1 ILE 15 - HE3 LYS 13 far 0 99 0 - 7.2-7.7 QD1 ILE 76 - HE2 LYS 47 far 0 60 0 - 7.3-9.6 QD1 ILE 76 - HE2 LYS 73 far 0 54 0 - 7.4-10.4 QD1 ILE 76 - HE3 LYS 73 far 0 47 0 - 7.4-10.4 QD1 ILE 93 - HE2 LYS 24 far 0 100 0 - 7.5-11.1 QG2 ILE 52 - HE3 LYS 47 far 0 93 0 - 7.7-10.1 QD2 LEU 42 - HE2 LYS 73 far 0 93 0 - 7.8-12.3 QD2 LEU 27 - HE3 LYS 24 far 0 69 0 - 7.9-10.9 QD2 LEU 27 - HE2 LYS 24 far 0 69 0 - 8.1-11.0 QD1 ILE 15 - HE3 LYS 90 far 0 60 0 - 8.2-12.2 QG1 VAL 78 - HE2 LYS 73 far 0 84 0 - 8.4-11.5 QD2 LEU 42 - HE3 LYS 73 far 0 85 0 - 8.6-11.8 QG2 ILE 7 - HE3 LYS 90 far 0 33 0 - 8.7-12.0 HG13 ILE 93 - HE3 LYS 90 far 0 50 0 - 8.8-10.6 QG1 VAL 78 - HE3 LYS 73 far 0 75 0 - 9.1-11.1 QG2 ILE 8 - HE3 LYS 12 far 0 88 0 - 9.1-13.2 QG1 VAL 5 - HE3 LYS 90 far 0 31 0 - 9.2-10.4 QD2 LEU 57 - HE3 LYS 90 far 0 37 0 - 9.2-10.7 QD2 LEU 42 - HE3 LYS 47 far 0 98 0 - 9.5-12.4 QG2 ILE 7 - HE3 LYS 13 far 0 65 0 - 9.7-10.8 QG2 ILE 7 - HE2 LYS 13 far 0 66 0 - 9.7-10.2 QD1 ILE 93 - HE3 LYS 13 far 0 98 0 - 9.8-13.5 HG13 ILE 93 - HE3 LYS 24 far 0 91 0 - 9.8-14.6 QD1 ILE 93 - HE2 LYS 13 far 0 99 0 - 9.9-12.2 QG1 VAL 54 - HE2 LYS 47 far 0 98 0 - 10.0-12.5 QG1 VAL 5 - HE3 LYS 24 far 0 63 0 - 10.0-13.4 Violated in 18 structures by 0.86 A. Peak 10394 from cnoeabs.peaks (0.80, 1.43, 25.00 ppm; 4.78 A): 1 out of 11 assignments used, quality = 0.90: QG2 ILE 15 + HG2 LYS 12 OK 90 91 100 98 5.2-6.3 10121/384=69, 657/3.0=29...(21) QD1 ILE 93 - HG2 LYS 20 poor 10 35 85 35 5.1-7.1 8527/4.9=14...(7) QG2 ILE 15 - HG2 LYS 20 far 3 62 5 - 6.1-7.1 QG2 ILE 7 - HG2 LYS 12 far 0 91 0 - 6.7-8.6 QG2 ILE 15 - HG2 LYS 13 far 0 100 0 - 6.7-7.1 QG2 ILE 7 - HG2 LYS 13 far 0 100 0 - 7.4-7.7 QG2 ILE 7 - HG2 LYS 20 far 0 61 0 - 8.0-8.9 QD1 LEU 27 - HG2 LYS 20 far 0 34 0 - 8.2-9.8 QD2 LEU 57 - HG2 LYS 20 far 0 60 0 - 9.1-11.4 QG2 ILE 8 - HG2 LYS 12 far 0 82 0 - 9.2-12.2 QD1 ILE 93 - HG2 LYS 13 far 0 68 0 - 9.6-11.0 Violated in 20 structures by 0.65 A. Peak 10395 from cnoeabs.peaks (0.80, 1.50, 25.00 ppm; 4.03 A): 3 out of 31 assignments used, quality = 0.97: QD2 LEU 70 + HG2 LYS 73 OK 90 99 95 96 3.3-6.5 4.0/10813=40...(19) QG2 VAL 32 + HG3 LYS 33 OK 62 66 100 93 5.0-5.4 4.1/6523=50...(15) QD1 LEU 70 + HG2 LYS 73 OK 25 95 30 87 4.3-7.3 4.0/10813=40...(15) QG2 ILE 8 - HG3 LYS 33 poor 18 89 20 - 5.0-6.4 QD2 LEU 2 - HG3 LYS 53 poor 17 58 65 44 4.1-8.6 12040/1.8=18...(7) QD2 LEU 38 - HG3 LYS 33 far 4 80 5 - 5.4-8.2 QD1 ILE 76 - HG2 LYS 47 far 0 99 0 - 5.5-8.9 QG2 ILE 52 - HG3 LYS 53 far 0 48 0 - 5.6-6.8 QD1 LEU 27 - HG3 LYS 24 far 0 67 0 - 5.6-8.5 QD2 LEU 103 - HG3 LYS 53 far 0 44 0 - 5.9-10.8 QG1 VAL 54 - HG3 LYS 53 far 0 29 0 - 6.3-7.8 QG2 ILE 7 - HG3 LYS 33 far 0 94 0 - 6.4-7.7 QD1 LEU 27 - HG3 LYS 53 far 0 37 0 - 6.6-8.2 QD1 LEU 6 - HG3 LYS 33 far 0 68 0 - 6.6-8.6 QG2 ILE 52 - HG2 LYS 47 far 0 88 0 - 7.0-9.1 QD1 ILE 93 - HG3 LYS 24 far 0 69 0 - 7.3-9.1 QD2 LEU 2 - HG2 LYS 47 far 0 98 0 - 7.4-12.0 QD1 ILE 76 - HG2 LYS 73 far 0 100 0 - 7.4-8.4 QG2 ILE 15 - HG3 LYS 33 far 0 92 0 - 7.4-8.6 QG2 ILE 15 - HG3 LYS 13 far 0 99 0 - 7.8-8.3 QD2 LEU 38 - HG2 LYS 73 far 0 88 0 - 7.9-11.3 QD2 LEU 42 - HG2 LYS 73 far 0 68 0 - 8.1-10.0 QG2 ILE 7 - HG3 LYS 13 far 0 100 0 - 8.2-9.2 QD1 LEU 70 - HG3 LYS 33 far 0 88 0 - 8.5-11.0 QD2 LEU 42 - HG2 LYS 47 far 0 68 0 - 8.6-11.9 QD2 LEU 57 - HG3 LYS 53 far 0 59 0 - 8.7-10.9 QD2 LEU 42 - HG3 LYS 53 far 0 35 0 - 8.7-11.4 QD2 LEU 70 - HG3 LYS 33 far 0 93 0 - 9.0-11.8 QG1 VAL 54 - HG2 LYS 47 far 0 58 0 - 9.0-12.8 QD2 LEU 42 - HG3 LYS 33 far 0 61 0 - 9.1-11.0 QD1 ILE 76 - HG3 LYS 53 far 0 60 0 - 9.3-11.0 Violated in 9 structures by 0.13 A. Peak 10396 from cnoeabs.peaks (0.76, 1.70, 28.93 ppm; 3.68 A): 2 out of 66 assignments used, quality = 0.97: QD1 ILE 15 + HD2 LYS 12 OK 90 96 100 94 3.7-4.3 10393/3.0=38, 681=33...(14) QD1 ILE 15 + HD3 LYS 12 OK 72 96 80 94 4.3-5.6 10393/3.0=38, 681/1.8=31...(13) QG2 ILE 8 - HD2 LYS 33 poor 15 39 40 - 4.3-6.7 QG2 ILE 8 - HD3 LYS 33 lone 3 39 60 14 4.2-6.0 10647/5.4=6, 4.1/8316=2...(5) QG2 ILE 7 - HD3 LYS 33 far 1 27 5 - 5.1-6.3 QD1 ILE 15 - HD2 LYS 13 far 0 100 0 - 5.4-6.2 HG13 ILE 15 - HD2 LYS 12 far 0 94 0 - 5.4-6.2 QG2 ILE 7 - HD2 LYS 33 far 0 27 0 - 5.4-7.5 QD1 ILE 15 - HD3 LYS 13 far 0 100 0 - 5.5-6.2 QG2 ILE 93 - HD2 LYS 24 far 0 96 0 - 5.6-8.6 QG2 ILE 93 - HD3 LYS 24 far 0 97 0 - 5.6-8.5 QD1 ILE 15 - HD2 LYS 33 far 0 49 0 - 5.6-6.8 QD1 ILE 15 - HD3 LYS 33 far 0 49 0 - 5.6-7.4 QD1 LEU 27 - HD2 LYS 24 far 0 99 0 - 5.9-9.5 QD1 LEU 27 - HD3 LYS 24 far 0 99 0 - 6.0-8.9 HG13 ILE 15 - HD3 LYS 33 far 0 48 0 - 6.1-7.8 QD1 ILE 93 - HD2 LYS 20 far 0 56 0 - 6.2-8.8 QG2 ILE 7 - HD2 LYS 12 far 0 61 0 - 6.3-7.1 QD1 ILE 93 - HB3 ARG 91 far 0 53 0 - 6.4-7.3 QD1 LEU 6 - HD3 LYS 33 far 0 49 0 - 6.4-8.8 HG13 ILE 15 - HD3 LYS 12 far 0 94 0 - 6.4-7.7 QD1 ILE 76 - HD3 LYS 47 far 0 26 0 - 6.5-8.9 HG13 ILE 15 - HD2 LYS 33 far 0 48 0 - 6.5-8.0 QD1 ILE 93 - HD3 LYS 20 far 0 50 0 - 6.7-8.4 QD2 LEU 27 - HD2 LYS 24 far 0 68 0 - 6.7-9.9 QD1 ILE 76 - HD2 LYS 47 far 0 25 0 - 6.8-9.2 QG2 ILE 7 - HD3 LYS 12 far 0 61 0 - 7.1-8.3 QG2 ILE 93 - HB3 ARG 91 far 0 50 0 - 7.2-7.8 HG13 ILE 93 - HB3 ARG 91 far 0 45 0 - 7.2-9.6 QD1 LEU 6 - HD2 LYS 33 far 0 49 0 - 7.4-10.0 QD2 LEU 57 - HB3 ARG 91 far 0 33 0 - 7.4-9.0 QG2 ILE 93 - HD2 LYS 20 far 0 53 0 - 7.5-10.1 QD1 ILE 93 - HD3 LYS 24 far 0 99 0 - 7.6-10.2 QD2 LEU 27 - HD3 LYS 24 far 0 68 0 - 7.6-9.8 QG2 ILE 52 - HD3 LYS 47 far 0 47 0 - 7.7-10.1 QD1 ILE 93 - HD2 LYS 24 far 0 99 0 - 7.8-10.5 QG2 ILE 7 - HD2 LYS 13 far 0 68 0 - 7.9-9.4 QG2 ILE 7 - HD3 LYS 13 far 0 67 0 - 7.9-9.3 QG2 ILE 93 - HD3 LYS 20 far 0 47 0 - 8.3-9.8 HG13 ILE 15 - HD2 LYS 13 far 0 99 0 - 8.3-9.7 QG2 ILE 7 - HD2 LYS 20 far 0 32 0 - 8.4-10.2 QD1 ILE 15 - HD2 LYS 20 far 0 57 0 - 8.5-10.2 QG1 VAL 5 - HB3 ARG 91 far 0 28 0 - 8.5-9.7 HG13 ILE 15 - HD3 LYS 13 far 0 99 0 - 8.5-9.6 QD1 ILE 93 - HD2 LYS 13 far 0 100 0 - 8.6-12.4 QD1 ILE 93 - HD3 LYS 13 far 0 100 0 - 8.6-12.9 QG2 ILE 7 - HD3 LYS 20 far 0 28 0 - 8.7-11.1 QG2 ILE 52 - HD2 LYS 47 far 0 45 0 - 8.7-10.0 QD1 ILE 15 - HD3 LYS 20 far 0 50 0 - 8.7-10.7 QG1 VAL 5 - HD2 LYS 20 far 0 29 0 - 8.9-10.4 HG3 ARG 81 - HB3 ARG 91 far 0 41 0 - 9.0-10.9 QD2 LEU 42 - HD3 LYS 47 far 0 52 0 - 9.2-11.9 QG1 VAL 5 - HD3 LYS 20 far 0 26 0 - 9.2-10.9 QG2 ILE 8 - HD2 LYS 12 far 0 81 0 - 9.4-11.4 QD1 LEU 27 - HB3 ARG 91 far 0 53 0 - 9.4-10.4 HG13 ILE 93 - HD2 LYS 20 far 0 47 0 - 9.5-12.9 QD2 LEU 42 - HD3 LYS 33 far 0 50 0 - 9.6-11.9 QG1 VAL 54 - HD3 LYS 47 far 0 52 0 - 9.6-12.9 QD2 LEU 42 - HD2 LYS 47 far 0 50 0 - 9.6-11.9 QG1 VAL 5 - HD3 LYS 24 far 0 62 0 - 9.7-12.0 QG2 ILE 8 - HD3 LYS 12 far 0 81 0 - 9.7-12.8 QG1 VAL 5 - HD2 LYS 24 far 0 62 0 - 9.8-12.5 QD1 LEU 27 - HD2 LYS 20 far 0 56 0 - 9.8-11.7 HG13 ILE 15 - HD2 LYS 20 far 0 55 0 - 9.8-11.9 QG1 VAL 78 - HD3 LYS 47 far 0 45 0 - 9.9-12.6 QG1 VAL 54 - HD2 LYS 47 far 0 50 0 - 9.9-12.7 Violated in 16 structures by 0.08 A. Peak 10398 from cnoeabs.peaks (0.80, 1.35, 28.11 ppm; 4.89 A): 5 out of 8 assignments used, quality = 1.00: QG2 ILE 7 + HG LEU 14 OK 99 100 100 99 4.3-5.3 3.0/11079=69, ~10273=27...(23) QG2 ILE 15 + HG LEU 14 OK 98 99 100 99 4.9-5.9 3.2/8409=53, ~8413=50...(27) QD1 LEU 57 + HG LEU 14 OK 58 82 80 87 5.0-7.5 9926/8404=24...(14) QD2 LEU 57 + HG LEU 14 OK 34 100 40 84 5.9-7.1 3.1/12135=19, ~12013=18...(14) QD1 ILE 93 + HG LEU 14 OK 25 75 100 33 4.8-6.3 10026/12030=14...(5) QG2 ILE 8 - HG LEU 14 far 0 97 0 - 8.6-9.3 QG2 VAL 32 - HG LEU 14 far 0 75 0 - 8.9-10.1 QD1 LEU 6 - HG LEU 14 far 0 77 0 - 9.5-11.1 Violated in 0 structures by 0.00 A. Peak 10399 from cnoeabs.peaks (0.98, 1.35, 28.11 ppm; 5.34 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 83 + HG LEU 14 OK 96 96 100 100 3.9-4.8 10403/2.1=100...(22) QG1 VAL 83 + HG LEU 14 OK 75 75 100 100 5.6-6.7 ~10403=84, ~10402=51...(20) QG2 VAL 5 - HG LEU 14 far 0 71 0 - 8.9-9.5 HG LEU 55 - HG LEU 14 far 0 96 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 10400 from cnoeabs.peaks (2.10, 1.35, 28.11 ppm; 4.76 A): 3 out of 7 assignments used, quality = 1.00: HB3 PRO 86 + HG LEU 14 OK 100 100 100 100 4.6-5.4 2.3/8407=90, ~8411=65...(39) HB2 PRO 86 + HG LEU 14 OK 97 97 100 100 3.8-4.4 2.3/8407=90, ~8411=65...(39) HB VAL 83 + HG LEU 14 OK 89 100 90 100 5.5-6.8 ~10403=72, 9805/2.1=48...(15) HB3 GLU 88 - HG LEU 14 poor 14 81 25 69 6.0-7.4 4.3/8404=36...(8) HB2 GLU 16 - HG LEU 14 far 0 77 0 - 6.8-8.3 HG2 GLU 88 - HG LEU 14 far 0 65 0 - 7.8-9.2 QE MET 21 - HG LEU 14 far 0 100 0 - 8.6-9.4 Violated in 0 structures by 0.00 A. Peak 10401 from cnoeabs.peaks (0.80, 1.52, 41.23 ppm; 3.27 A): 3 out of 21 assignments used, quality = 0.99: QG2 ILE 7 + HB ILE 7 OK 91 91 100 100 2.1-2.1 2.1=100 QG2 ILE 15 + HB ILE 7 OK 83 85 100 97 3.4-4.2 10123/8732=45...(40) QD2 LEU 57 + HB ILE 7 OK 35 91 40 97 3.5-5.5 3.1/8277=25, 236/3.0=18...(36) QD1 ILE 93 - HB ILE 7 far 4 71 5 - 4.5-5.7 QD1 ILE 15 - HB2 LEU 14 far 3 65 5 - 4.8-5.6 QG2 VAL 32 - HB ILE 7 far 0 54 0 - 4.8-5.7 QD1 LEU 6 - HB ILE 7 far 0 72 0 - 4.9-6.6 QD1 ILE 15 - HB ILE 7 far 0 54 0 - 5.3-5.9 QD1 LEU 57 - HB ILE 7 far 0 61 0 - 6.0-6.7 QG2 ILE 7 - HB2 LEU 14 far 0 100 0 - 6.2-6.7 QD1 LEU 57 - HB2 LEU 14 far 0 73 0 - 6.7-9.0 QD1 ILE 93 - HB2 LEU 14 far 0 84 0 - 6.7-8.2 QG2 ILE 8 - HB ILE 7 far 0 89 0 - 6.7-7.0 QG2 ILE 15 - HB2 LEU 14 far 0 97 0 - 6.8-6.8 QD2 LEU 38 - HB ILE 7 far 0 69 0 - 7.1-9.7 QG1 VAL 54 - HB ILE 7 far 0 58 0 - 7.6-8.4 QD2 LEU 57 - HB2 LEU 14 far 0 100 0 - 8.0-8.9 QD1 LEU 27 - HB ILE 7 far 0 69 0 - 8.3-9.3 QD2 LEU 42 - HB ILE 7 far 0 66 0 - 8.7-9.7 QG2 ILE 8 - HB2 LEU 14 far 0 99 0 - 9.5-10.2 QD2 LEU 103 - HB ILE 7 far 0 63 0 - 9.8-19.5 Violated in 0 structures by 0.00 A. Peak 10402 from cnoeabs.peaks (0.98, 0.68, 25.64 ppm; 3.07 A): 2 out of 8 assignments used, quality = 0.99: QG2 VAL 83 + QD1 LEU 14 OK 97 98 100 99 2.0-2.5 10403/2.1=60...(33) QG1 VAL 83 + QD1 LEU 14 OK 65 68 100 96 3.6-4.2 ~10403=31, 9807=30...(28) QG2 THR 80 - QD1 LEU 42 far 0 96 0 - 4.8-5.5 HG LEU 55 - QD1 LEU 14 far 0 99 0 - 7.6-8.6 QG2 VAL 5 - QD1 LEU 14 far 0 79 0 - 7.8-8.9 QG2 THR 80 - QD1 LEU 14 far 0 100 0 - 8.1-9.6 QG2 VAL 5 - QD1 LEU 42 far 0 72 0 - 8.7-9.8 HG LEU 55 - QD1 LEU 42 far 0 94 0 - 8.8-10.6 Violated in 0 structures by 0.00 A. Peak 10403 from cnoeabs.peaks (0.98, 0.71, 24.35 ppm; 3.17 A): 1 out of 10 assignments used, quality = 0.92: QG2 VAL 83 + QD2 LEU 14 OK 92 96 100 97 3.2-3.4 10402/2.1=40, 9806=35...(30) QG2 VAL 5 - QD2 LEU 6 poor 11 44 25 - 4.6-6.3 QG1 VAL 83 - QD2 LEU 14 far 0 75 0 - 5.2-5.5 QG2 THR 80 - QD2 LEU 6 far 0 72 0 - 5.6-7.2 HG LEU 55 - QD2 LEU 6 far 0 66 0 - 5.7-7.1 HG LEU 55 - QD2 LEU 14 far 0 96 0 - 7.9-8.9 QG2 VAL 5 - QD2 LEU 14 far 0 71 0 - 8.0-8.4 QG2 THR 80 - QD2 LEU 14 far 0 100 0 - 8.1-9.3 QG2 VAL 83 - QD2 LEU 6 far 0 65 0 - 8.3-8.7 QG1 VAL 83 - QD2 LEU 6 far 0 47 0 - 9.1-9.9 Violated in 20 structures by 0.16 A. Peak 10404 from cnoeabs.peaks (1.71, 0.68, 25.64 ppm; 3.51 A): 6 out of 23 assignments used, quality = 1.00: HB3 LEU 70 + QD1 LEU 42 OK 94 95 100 99 2.4-3.9 9544=90, 1.8/9543=62...(13) HG LEU 70 + QD1 LEU 42 OK 80 95 90 94 3.7-5.0 3.0/9544=52, 3.0/9543=47...(14) HG12 ILE 15 + QD1 LEU 14 OK 72 97 100 75 4.4-4.8 4.6/6214=15...(21) HD2 LYS 13 + QD1 LEU 14 OK 72 100 85 85 4.0-7.5 ~12015=12, 10406/2.1=12...(52) HD3 LYS 13 + QD1 LEU 14 OK 72 100 85 85 4.2-7.3 ~12015=12, 10406/2.1=12...(51) HG2 PRO 86 + QD1 LEU 14 OK 33 96 35 99 4.6-5.5 3.8/8411=43, 1.8/9889=31...(30) HD3 LYS 90 - QD1 LEU 14 far 15 99 15 - 4.8-7.2 HD2 LYS 90 - QD1 LEU 14 poor 9 73 50 26 4.0-7.6 7421/9943=7, 3.6/10566=7...(7) HB3 LYS 40 - QD1 LEU 42 far 0 80 0 - 6.0-6.8 HB ILE 15 - QD1 LEU 14 far 0 90 0 - 6.1-6.3 HD3 LYS 66 - QD1 LEU 42 far 0 96 0 - 6.8-9.2 HB3 ARG 91 - QD1 LEU 14 far 0 85 0 - 6.9-8.7 HD2 LYS 20 - QD1 LEU 14 far 0 77 0 - 8.1-10.4 HD2 LYS 12 - QD1 LEU 14 far 0 100 0 - 8.4-9.6 HG3 LYS 20 - QD1 LEU 14 far 0 71 0 - 8.4-10.9 HD2 ARG 81 - QD1 LEU 14 far 0 94 0 - 8.5-10.3 HD3 LYS 20 - QD1 LEU 14 far 0 71 0 - 8.6-10.9 HB ILE 52 - QD1 LEU 42 far 0 58 0 - 8.9-11.6 HB3 LYS 53 - QD1 LEU 42 far 0 83 0 - 9.1-11.7 HD3 LYS 12 - QD1 LEU 14 far 0 100 0 - 9.1-10.6 HD3 LYS 47 - QD1 LEU 42 far 0 77 0 - 9.5-12.0 HD2 LYS 47 - QD1 LEU 42 far 0 76 0 - 9.7-12.2 HD3 LYS 33 - QD1 LEU 14 far 0 95 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10405 from cnoeabs.peaks (2.12, 0.68, 25.64 ppm; 3.56 A): 4 out of 18 assignments used, quality = 1.00: HB2 PRO 86 + QD1 LEU 14 OK 100 100 100 100 3.2-4.3 2.3/8411=66, ~8407=34...(45) HB VAL 83 + QD1 LEU 14 OK 99 100 100 99 3.0-3.8 2.1/9807=47...(22) HB3 PRO 86 + QD1 LEU 14 OK 98 99 100 100 4.0-5.0 2.3/8411=66, ~8407=34...(45) HB3 GLU 88 + QD1 LEU 14 OK 47 61 100 77 3.8-4.3 4.3/8402=30, 3.9/8602=24...(16) HG2 GLU 88 - QD1 LEU 14 far 0 84 0 - 5.4-6.3 HB3 GLU 35 - QD1 LEU 42 far 0 61 0 - 5.7-7.9 HB2 GLU 69 - QD1 LEU 42 far 0 94 0 - 6.2-7.7 HB3 GLU 37 - QD1 LEU 42 far 0 94 0 - 6.4-8.8 HB3 GLU 69 - QD1 LEU 42 far 0 94 0 - 6.7-8.0 HG2 GLU 44 - QD1 LEU 42 far 0 87 0 - 6.8-9.1 HG3 GLU 37 - QD1 LEU 42 far 0 96 0 - 7.0-9.0 HG2 GLU 69 - QD1 LEU 42 far 0 94 0 - 7.1-8.7 HB2 GLU 75 - QD1 LEU 42 far 0 86 0 - 7.6-8.9 QE MET 21 - QD1 LEU 14 far 0 95 0 - 7.8-8.8 HG3 GLU 104 - QD1 LEU 14 far 0 94 0 - 9.2-19.6 HB2 LEU 64 - QD1 LEU 14 far 0 100 0 - 9.3-10.7 HB2 LEU 64 - QD1 LEU 42 far 0 96 0 - 9.9-11.1 HG2 GLU 104 - QD1 LEU 14 far 0 73 0 - 9.9-18.4 Violated in 0 structures by 0.00 A. Peak 10406 from cnoeabs.peaks (1.68, 0.71, 24.35 ppm; 3.85 A): 4 out of 24 assignments used, quality = 1.00: HG12 ILE 15 + QD2 LEU 14 OK 90 99 100 91 1.8-2.6 4.1/8413=42, 4.6/6215=23...(24) HD2 LYS 13 + QD2 LEU 14 OK 74 96 85 92 4.5-6.9 3.0/12015=27...(56) HD3 LYS 13 + QD2 LEU 14 OK 73 94 85 91 4.6-6.7 3.0/12015=27...(55) HB3 LEU 6 + QD2 LEU 6 OK 40 40 100 100 2.1-3.2 3.1=100 HG2 PRO 86 - QD2 LEU 14 far 0 99 0 - 6.3-6.7 HB3 LYS 40 - QD2 LEU 6 far 0 72 0 - 6.4-8.2 HD2 LYS 12 - QD2 LEU 14 far 0 96 0 - 6.4-7.3 HD3 LYS 90 - QD2 LEU 14 far 0 98 0 - 6.5-9.0 HD3 LYS 12 - QD2 LEU 14 far 0 96 0 - 7.4-8.5 HB2 LYS 40 - QD2 LEU 6 far 0 37 0 - 7.4-9.5 HB3 LEU 70 - QD2 LEU 6 far 0 47 0 - 7.6-10.3 HD3 LYS 20 - QD2 LEU 14 far 0 99 0 - 7.8-10.7 HB3 LEU 6 - QD2 LEU 14 far 0 65 0 - 7.9-9.2 HG LEU 70 - QD2 LEU 6 far 0 67 0 - 8.0-10.9 HD2 LYS 20 - QD2 LEU 14 far 0 100 0 - 8.0-9.9 HG3 LYS 20 - QD2 LEU 14 far 0 99 0 - 8.0-9.9 HB3 LYS 53 - QD2 LEU 6 far 0 72 0 - 8.2-9.4 HG12 ILE 15 - QD2 LEU 6 far 0 70 0 - 8.3-9.3 HB ILE 52 - QD2 LEU 6 far 0 67 0 - 8.3-10.5 HB3 ARG 79 - QD2 LEU 6 far 0 49 0 - 8.4-10.0 HD2 LYS 39 - QD2 LEU 6 far 0 49 0 - 8.9-11.5 HB3 ARG 91 - QD2 LEU 14 far 0 100 0 - 9.0-11.0 HB2 LEU 2 - QD2 LEU 6 far 0 64 0 - 9.2-12.5 HD3 LYS 47 - QD2 LEU 6 far 0 72 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 10407 from cnoeabs.peaks (2.10, 0.71, 24.35 ppm; 4.27 A): 3 out of 19 assignments used, quality = 1.00: HB VAL 83 + QD2 LEU 14 OK 96 96 100 100 5.1-5.5 2.1/10403=93, 9805=40...(17) HB2 PRO 86 + QD2 LEU 14 OK 88 88 100 100 4.6-5.1 2.3/8412=68...(46) HB3 PRO 86 + QD2 LEU 14 OK 30 99 30 100 5.6-6.2 2.3/8412=68...(44) HB3 LEU 38 - QD2 LEU 6 far 8 56 15 - 5.2-7.9 HB3 GLU 37 - QD2 LEU 6 far 2 50 5 - 5.3-9.7 HB3 GLU 88 - QD2 LEU 14 far 0 93 0 - 6.1-6.4 HB2 GLU 16 - QD2 LEU 14 far 0 91 0 - 6.1-8.1 HG2 GLU 44 - QD2 LEU 6 far 0 37 0 - 6.4-8.6 HG2 GLU 28 - QD2 LEU 6 far 0 44 0 - 6.4-8.6 HG3 GLU 28 - QD2 LEU 6 far 0 44 0 - 6.9-9.2 HG3 GLU 37 - QD2 LEU 6 far 0 67 0 - 7.6-10.0 HB3 GLU 43 - QD2 LEU 6 far 0 46 0 - 7.8-10.2 QE MET 21 - QD2 LEU 14 far 0 100 0 - 8.6-9.4 QE MET 21 - QD2 LEU 6 far 0 72 0 - 8.7-11.0 HB3 GLU 35 - QD2 LEU 6 far 0 65 0 - 8.8-11.9 HB2 LEU 64 - QD2 LEU 14 far 0 96 0 - 8.9-10.8 HB2 MET 74 - QD2 LEU 6 far 0 43 0 - 9.2-11.3 HB2 GLU 23 - QD2 LEU 6 far 0 69 0 - 10.0-13.1 HB2 LEU 64 - QD2 LEU 6 far 0 65 0 - 10.0-12.6 Violated in 18 structures by 0.08 A. Peak 10408 from cnoeabs.peaks (3.91, 0.71, 24.35 ppm; 3.83 A): 3 out of 14 assignments used, quality = 0.99: HB3 SER 9 + QD2 LEU 14 OK 96 96 100 99 2.3-3.4 1.8/8324=45, 2.8/8401=41...(26) HA TYR 41 + QD2 LEU 6 OK 57 65 95 93 4.3-5.5 8871/2.1=22, 3.0/8874=21...(19) HA ALA 89 + QD2 LEU 14 OK 43 99 45 97 5.0-5.9 2.1/630=35...(20) HA LEU 38 - QD2 LEU 6 poor 17 39 45 - 3.3-6.1 HB2 SER 85 - QD2 LEU 14 far 0 99 0 - 6.8-7.4 HA GLU 35 - QD2 LEU 6 far 0 56 0 - 7.2-9.9 HA GLU 43 - QD2 LEU 6 far 0 51 0 - 8.0-9.5 HA GLU 44 - QD2 LEU 6 far 0 54 0 - 8.2-9.4 HA GLU 63 - QD2 LEU 6 far 0 72 0 - 8.8-11.3 HA GLU 63 - QD2 LEU 14 far 0 100 0 - 9.2-10.7 HA ALA 89 - QD2 LEU 6 far 0 69 0 - 9.3-10.3 HB2 SER 97 - QD2 LEU 6 far 0 36 0 - 9.4-11.9 HA ARG 91 - QD2 LEU 14 far 0 88 0 - 9.6-10.6 HB3 SER 9 - QD2 LEU 6 far 0 66 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 10409 from cnoeabs.peaks (3.92, 0.68, 25.64 ppm; 4.09 A): 3 out of 8 assignments used, quality = 1.00: HB3 SER 9 + QD1 LEU 14 OK 99 100 100 99 3.6-4.4 2.8/8403=51...(21) HB2 SER 85 + QD1 LEU 14 OK 88 90 100 98 4.4-4.9 1.8/9876=47...(21) HA ALA 89 + QD1 LEU 14 OK 85 87 100 98 3.6-4.1 3.0/8402=54, 9930=31...(21) HA GLU 35 - QD1 LEU 42 poor 11 56 20 - 5.1-6.8 HA TYR 41 - QD1 LEU 42 far 0 96 0 - 5.9-6.4 HA GLU 63 - QD1 LEU 42 far 0 94 0 - 8.0-9.6 HA ARG 91 - QD1 LEU 14 far 0 63 0 - 8.1-8.6 HA GLU 44 - QD1 LEU 42 far 0 93 0 - 8.3-8.6 Violated in 0 structures by 0.00 A. Peak 10410 from cnoeabs.peaks (8.65, 1.35, 28.11 ppm; 6.05 A): 2 out of 3 assignments used, quality = 1.00: H ALA 18 + HG LEU 14 OK 100 100 100 100 3.9-4.6 8395/611=78...(24) H ASP 11 + HG LEU 14 OK 93 94 100 99 6.6-7.0 8370/3.0=57, 8369/2.1=41...(11) H ASN 10 - HG LEU 14 far 0 97 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 10412 from cnoeabs.peaks (7.80, 0.71, 24.35 ppm; 4.89 A): 4 out of 9 assignments used, quality = 1.00: H SER 9 + QD2 LEU 14 OK 97 98 100 99 3.9-4.4 6107=65, 5.0/8401=46...(18) HE ARG 30 + QD2 LEU 6 OK 64 70 95 97 3.0-7.2 2.9/8722=67, 5.0/8717=33...(17) H TYR 41 + QD2 LEU 6 OK 52 55 100 94 4.6-6.3 8870=35, 4.0/8874=27...(14) H GLU 28 + QD2 LEU 6 OK 24 72 90 37 5.5-7.9 8649/8209=12...(6) H LYS 20 - QD2 LEU 14 far 0 100 0 - 7.7-8.6 H SER 9 - QD2 LEU 6 far 0 67 0 - 8.3-8.8 H LYS 66 - QD2 LEU 6 far 0 72 0 - 9.4-12.4 HE ARG 30 - QD2 LEU 14 far 0 99 0 - 9.4-12.8 H LYS 20 - QD2 LEU 6 far 0 71 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 10413 from cnoeabs.peaks (7.70, 0.68, 25.64 ppm; 4.20 A): 1 out of 6 assignments used, quality = 0.99: H SER 85 + QD1 LEU 14 OK 99 99 100 100 2.9-3.9 3.6/8425=51...(24) H ASN 60 - QD1 LEU 14 far 0 71 0 - 6.9-7.7 H MET 21 - QD1 LEU 14 far 0 98 0 - 7.8-9.2 H LEU 64 - QD1 LEU 14 far 0 92 0 - 9.2-10.3 H LEU 64 - QD1 LEU 42 far 0 86 0 - 9.2-10.5 H SER 49 - QD1 LEU 42 far 0 74 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10414 from cnoeabs.peaks (8.27, 0.69, 25.64 ppm; 4.71 A): 1 out of 3 assignments used, quality = 1.00: H ALA 71 + QD1 LEU 42 OK 100 100 100 100 2.5-3.3 3149/9544=72...(30) H PHE 45 - QD1 LEU 42 far 0 100 0 - 6.2-6.6 H LYS 94 - QD1 LEU 14 far 0 96 0 - 8.9-9.7 Violated in 0 structures by 0.00 A. Peak 10415 from cnoeabs.peaks (8.89, 0.81, 17.32 ppm; 4.52 A): 1 out of 4 assignments used, quality = 0.99: H ARG 19 + QG2 ILE 15 OK 99 100 100 99 3.8-4.4 6277/3.2=60...(20) H LEU 57 - QG2 ILE 8 far 2 42 5 - 6.0-6.5 H LEU 57 - QG2 ILE 15 far 0 70 0 - 7.3-8.1 H VAL 5 - QG2 ILE 15 far 0 88 0 - 9.0-9.6 Violated in 0 structures by 0.00 A. Peak 10417 from cnoeabs.peaks (3.94, 0.76, 13.00 ppm; 5.07 A): 1 out of 5 assignments used, quality = 0.98: HB3 SER 9 + QD1 ILE 15 OK 98 98 100 100 2.2-4.2 4.0/8436=61, ~8444=59...(26) HD3 PRO 86 - QD1 ILE 15 far 0 59 0 - 7.2-7.9 HA ALA 89 - QD1 ILE 15 far 0 63 0 - 8.2-9.2 HB2 SER 85 - QD1 ILE 15 far 0 68 0 - 9.4-10.1 HA GLU 63 - QD1 ILE 15 far 0 87 0 - 9.7-11.0 Violated in 0 structures by 0.00 A. Peak 10419 from cnoeabs.peaks (1.42, 3.26, 65.94 ppm; 5.56 A): 3 out of 6 assignments used, quality = 1.00: HG12 ILE 7 + HA ILE 15 OK 100 100 100 100 2.5-4.7 2.1/8261=99, 3.2/637=48...(27) HG LEU 29 + HA ILE 15 OK 94 96 100 98 5.2-6.6 2.1/8689=74, 277/8261=41...(14) HG2 LYS 13 + HA ILE 15 OK 84 99 95 90 6.8-7.1 6191/8441=49...(13) QB ALA 22 - HA ILE 15 far 0 96 0 - 7.1-8.1 HG2 LYS 20 - HA ILE 15 far 0 63 0 - 7.3-7.7 HG2 LYS 12 - HA ILE 15 far 0 85 0 - 7.5-8.7 Violated in 0 structures by 0.00 A. Peak 10420 from cnoeabs.peaks (0.81, 2.08, 29.20 ppm; 3.95 A): 5 out of 15 assignments used, quality = 1.00: QG2 ILE 15 + HB2 GLU 16 OK 94 100 100 94 4.2-5.5 660/6237=58, 8530/3.0=56...(12) QD2 LEU 70 + HB3 GLU 35 OK 87 93 100 94 1.9-4.6 9541/3.0=24, 10278=21...(32) QD1 LEU 70 + HB3 GLU 35 OK 86 92 100 93 1.9-3.9 9549/1.8=25, 1653=17...(29) QD2 LEU 38 + HB3 GLU 35 OK 77 89 90 96 3.6-6.4 3.1/1629=24, 1653=23...(33) QD1 ILE 76 + HB3 GLU 43 OK 75 94 100 81 4.3-5.4 10609/3.0=18...(18) QG2 ILE 8 - HB3 GLU 35 far 0 76 0 - 6.5-8.5 QG2 ILE 7 - HB2 GLU 16 far 0 98 0 - 7.0-8.2 QD2 LEU 70 - HB3 GLU 43 far 0 96 0 - 7.3-10.4 QG2 VAL 32 - HB3 GLU 35 far 0 80 0 - 7.5-8.4 QD1 LEU 70 - HB3 GLU 43 far 0 96 0 - 7.6-9.1 QG2 ILE 52 - HB3 GLU 43 far 0 67 0 - 8.2-10.5 QD2 LEU 38 - HB3 GLU 43 far 0 92 0 - 8.3-11.1 QG2 VAL 32 - HB3 GLU 43 far 0 84 0 - 8.9-10.8 QG2 ILE 15 - HB2 GLU 23 far 0 96 0 - 9.0-10.9 QD1 ILE 76 - HB3 GLU 35 far 0 90 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 10421 from cnoeabs.peaks (0.79, 2.17, 29.20 ppm; 4.91 A): 4 out of 17 assignments used, quality = 0.99: QG2 ILE 15 + HB3 GLU 16 OK 86 87 100 99 4.6-5.3 8530/3.0=79, 4.4/6238=75...(17) QG2 ILE 52 + HB3 GLN 50 OK 76 79 100 97 3.9-6.1 9107/6830=40...(18) QD2 LEU 2 + HB3 GLN 50 OK 45 65 70 99 4.2-9.8 ~10629=56, ~10626=42...(18) QD1 ILE 15 + HB3 GLU 16 OK 41 84 50 98 5.6-7.1 684/6238=58, ~8530=43...(16) QG2 ILE 93 - HB3 GLU 23 poor 7 60 35 34 6.2-7.4 10326/8584=14...(3) QD1 ILE 93 - HB3 GLU 23 far 0 88 0 - 6.4-7.8 QD1 LEU 27 - HB3 GLU 23 far 0 87 0 - 6.5-7.9 QG2 ILE 7 - HB3 GLU 16 far 0 98 0 - 6.9-7.9 QG2 ILE 93 - HB3 GLU 95 far 0 42 0 - 7.0-7.6 QD2 LEU 57 - HB3 GLU 95 far 0 70 0 - 7.5-9.9 HG13 ILE 15 - HB3 GLU 16 far 0 75 0 - 7.6-8.4 QD1 LEU 27 - HB3 GLU 95 far 0 65 0 - 7.6-8.8 QD1 ILE 93 - HB3 GLU 16 far 0 96 0 - 7.8-9.1 QD1 ILE 76 - HB3 GLN 50 far 0 74 0 - 8.2-11.1 QG2 ILE 15 - HB3 GLU 23 far 0 79 0 - 8.3-9.9 QD1 ILE 93 - HB3 GLU 95 far 0 66 0 - 8.5-9.4 QG2 ILE 7 - HB3 GLU 23 far 0 91 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 10423 from cnoeabs.peaks (0.64, 4.04, 59.03 ppm; 5.37 A): 6 out of 11 assignments used, quality = 0.99: QD1 ILE 7 + HA GLU 16 OK 72 88 100 81 5.9-6.8 10378/6265=20...(12) QD2 LEU 29 + HA GLU 16 OK 71 100 80 89 4.2-7.1 10501/8530=26...(14) QD2 LEU 29 + HA LYS 20 OK 53 81 70 94 5.6-7.7 8528/2.9=53...(14) QD1 LEU 29 + HA GLU 16 OK 49 99 60 83 4.5-7.3 8672/8491=22...(14) QD1 LEU 29 + HA LYS 20 OK 30 78 40 95 5.7-8.1 10503/6358=48...(14) QD2 LEU 29 + HA GLU 17 OK 22 55 55 72 6.0-8.0 8483/5.0=26...(8) QD1 ILE 7 - HA GLU 17 poor 19 43 45 - 6.6-7.1 QD1 LEU 29 - HA GLU 17 poor 18 53 35 - 6.5-8.6 QD1 LEU 14 - HA GLU 17 far 2 31 5 - 6.6-7.8 QD1 LEU 14 - HA GLU 16 far 0 70 0 - 7.4-8.1 QD1 ILE 7 - HA LYS 20 far 0 65 0 - 8.0-9.1 Violated in 0 structures by 0.00 A. Peak 10424 from cnoeabs.peaks (0.69, 2.30, 36.00 ppm; 4.20 A): 4 out of 20 assignments used, quality = 1.00: QG2 VAL 58 + HG2 GLU 63 OK 93 94 100 100 2.9-4.6 10220/3.0=54, ~10704=41...(22) QD1 ILE 8 + HG2 GLU 63 OK 83 95 95 92 4.5-5.8 8308/3.0=44, 9462/3.0=24...(16) QG1 VAL 58 + HG2 GLU 63 OK 82 82 100 100 3.7-4.6 9381/3.0=48...(24) QD1 LEU 42 + HG3 GLU 43 OK 43 48 100 90 4.3-4.8 9605/10280=48...(13) QD1 LEU 29 - HG2 GLU 23 poor 6 22 25 - 4.6-7.7 QD2 LEU 14 - HG3 GLU 16 far 0 96 0 - 6.1-7.4 QD1 LEU 29 - HG3 GLU 16 far 0 57 0 - 6.3-9.7 QD2 LEU 27 - HG2 GLU 23 far 0 26 0 - 6.7-8.8 QG1 VAL 5 - HG2 GLU 23 far 0 29 0 - 7.0-9.4 QG2 VAL 54 - HG3 GLU 43 far 0 23 0 - 7.2-8.7 QD1 LEU 14 - HG3 GLU 16 far 0 96 0 - 7.2-8.6 QD1 ILE 52 - HG3 GLU 43 far 0 48 0 - 7.3-8.9 QD2 LEU 6 - HG2 GLU 23 far 0 48 0 - 7.6-11.7 QD1 ILE 56 - HG2 GLU 63 far 0 97 0 - 7.9-10.8 QG2 VAL 78 - HG3 GLU 43 far 0 33 0 - 8.0-9.4 QD2 LEU 6 - HG3 GLU 43 far 0 47 0 - 8.0-9.5 QD2 LEU 14 - HG2 GLU 63 far 0 96 0 - 8.4-9.5 QD1 ILE 56 - HG3 GLU 43 far 0 44 0 - 8.6-10.3 QD1 LEU 14 - HG2 GLU 63 far 0 95 0 - 9.0-10.3 HG13 ILE 56 - HG2 GLU 63 far 0 90 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 10425 from cnoeabs.peaks (0.77, 2.30, 36.00 ppm; 4.07 A): 4 out of 29 assignments used, quality = 0.98: QG2 ILE 8 + HG2 GLU 63 OK 86 96 100 90 3.2-4.2 10744/3.0=36, 8310=25...(14) QD1 ILE 15 + HG3 GLU 16 OK 71 98 95 77 5.0-6.6 684/6240=47, 5.0/6253=17...(10) QG2 ILE 15 + HG3 GLU 16 OK 49 61 95 85 3.0-5.6 4.4/6240=49, 8530/4.1=33...(8) QD1 ILE 76 + HG3 GLU 43 OK 20 32 100 64 2.7-4.5 9604/10280=23...(11) QD2 LEU 42 - HG3 GLU 43 far 5 48 10 - 5.5-6.4 QD1 LEU 64 - HG2 GLU 63 far 0 77 0 - 5.8-7.7 QD2 LEU 70 - HG3 GLU 43 far 0 25 0 - 5.9-8.4 QD1 LEU 27 - HG2 GLU 23 far 0 49 0 - 6.1-8.0 HG13 ILE 15 - HG3 GLU 16 far 0 95 0 - 6.1-8.3 QG1 VAL 78 - HG3 GLU 43 far 0 35 0 - 6.2-7.8 QG2 ILE 93 - HG2 GLU 23 far 0 40 0 - 6.3-7.7 QG2 ILE 7 - HG3 GLU 16 far 0 82 0 - 6.3-7.9 QD1 ILE 93 - HG2 GLU 23 far 0 50 0 - 6.5-8.2 QD1 LEU 6 - HG3 GLU 43 far 0 48 0 - 7.4-9.6 QG1 VAL 54 - HG3 GLU 43 far 0 46 0 - 7.4-9.0 QD1 ILE 93 - HG3 GLU 16 far 0 100 0 - 7.7-10.5 QG2 ILE 52 - HG3 GLU 43 far 0 47 0 - 7.8-11.0 QG2 ILE 15 - HG2 GLU 23 far 0 24 0 - 7.8-10.8 HG13 ILE 93 - HG2 GLU 23 far 0 34 0 - 8.1-11.9 QD1 LEU 6 - HG2 GLU 23 far 0 50 0 - 8.2-14.2 QG2 ILE 7 - HG2 GLU 63 far 0 82 0 - 8.7-9.2 QD1 ILE 15 - HG2 GLU 63 far 0 98 0 - 8.9-9.9 QG2 ILE 7 - HG2 GLU 23 far 0 35 0 - 9.1-11.8 QD2 LEU 70 - HG2 GLU 63 far 0 65 0 - 9.1-10.9 QD2 LEU 57 - HG2 GLU 23 far 0 38 0 - 9.3-11.9 QD2 LEU 57 - HG2 GLU 63 far 0 86 0 - 9.4-10.7 QG1 VAL 54 - HG2 GLU 23 far 0 47 0 - 9.6-12.8 QD1 LEU 6 - HG2 GLU 63 far 0 100 0 - 9.6-12.4 QG2 ILE 93 - HG3 GLU 16 far 0 91 0 - 9.9-13.1 Violated in 0 structures by 0.00 A. Peak 10426 from cnoeabs.peaks (0.87, 2.30, 36.00 ppm; 5.60 A): 3 out of 9 assignments used, quality = 0.89: QD2 LEU 64 + HG2 GLU 63 OK 68 98 85 82 5.8-7.1 ~10747=50, 2834/9412=30...(5) HG13 ILE 8 + HG2 GLU 63 OK 48 97 50 98 6.0-7.7 ~8308=56, ~10744=38...(11) QG2 ILE 76 + HG3 GLU 43 OK 35 46 90 83 5.3-7.2 10868/10280=49...(12) QD1 LEU 38 - HG2 GLU 63 far 15 97 15 - 6.5-10.0 QD1 LEU 38 - HG3 GLU 43 poor 8 45 45 41 5.9-9.2 8912/6668=19, 10549=12...(4) QG1 VAL 32 - HG2 GLU 63 far 3 69 5 - 6.8-9.1 HG13 ILE 7 - HG3 GLU 16 far 0 92 0 - 8.1-10.9 QG1 VAL 32 - HG3 GLU 43 far 0 27 0 - 8.3-9.3 HG13 ILE 7 - HG2 GLU 63 far 0 91 0 - 9.9-11.3 Violated in 8 structures by 0.04 A. Peak 10428 from cnoeabs.peaks (0.80, 2.01, 29.01 ppm; 4.52 A): 7 out of 34 assignments used, quality = 0.99: QG2 ILE 52 + HB2 GLN 50 OK 67 79 90 95 3.0-6.1 9107/4.6=29, 10643=25...(24) QD2 LEU 70 + HB2 GLU 35 OK 59 60 100 98 3.2-5.2 2.1/9549=29, 9541/3.0=29...(33) QD2 LEU 2 + HB2 GLN 50 OK 53 82 65 99 3.7-9.0 2.1/10629=48, ~12293=48...(24) QD1 LEU 70 + HB2 GLU 35 OK 52 54 100 98 3.2-4.3 9549=30, 10609/3.0=19...(30) QD2 LEU 38 + HB2 GLU 35 OK 38 46 85 98 4.0-7.2 ~10168=24, ~1661=20...(35) QD1 ILE 93 + HB3 GLU 17 OK 27 84 75 43 4.8-6.7 11003/6269=19...(5) QD1 ILE 76 + HB2 GLU 44 OK 21 62 50 68 5.7-7.0 10878/10343=35...(10) QD2 LEU 42 - HB2 GLU 44 poor 9 43 20 - 5.9-8.0 QD1 ILE 76 - HB3 GLU 44 far 3 62 5 - 5.9-7.6 QG1 VAL 54 - HB2 GLU 44 far 0 37 0 - 6.1-8.3 QD1 LEU 6 - HB2 GLU 44 far 0 47 0 - 6.2-8.7 QG2 ILE 15 - HB3 GLU 17 far 0 97 0 - 6.4-7.8 QD2 LEU 42 - HB3 GLU 44 far 0 43 0 - 6.7-8.3 QG2 ILE 8 - HB2 GLU 35 far 0 62 0 - 6.8-8.4 QD2 LEU 2 - HB3 GLU 44 far 0 59 0 - 6.9-11.0 QG1 VAL 54 - HB3 GLU 44 far 0 37 0 - 6.9-8.5 QD1 LEU 6 - HB3 GLU 44 far 0 47 0 - 7.1-8.7 QD1 ILE 15 - HB3 GLU 17 far 0 65 0 - 7.1-8.8 QG2 ILE 7 - HB3 GLU 17 far 0 100 0 - 7.2-9.0 QG2 ILE 52 - HB3 GLU 44 far 0 55 0 - 7.2-9.0 QG2 ILE 52 - HB2 GLU 44 far 0 55 0 - 7.3-8.6 QD2 LEU 2 - HB2 GLU 44 far 0 59 0 - 7.7-11.7 QD1 LEU 57 - HB3 GLU 17 far 0 73 0 - 7.7-10.6 QG2 VAL 32 - HB2 GLU 35 far 0 35 0 - 7.9-8.5 QD2 LEU 57 - HB3 GLU 17 far 0 100 0 - 8.0-10.5 QD1 ILE 76 - HB2 GLN 50 far 0 87 0 - 8.2-11.0 QD2 LEU 38 - HB2 GLU 44 far 0 45 0 - 8.2-12.8 QG2 VAL 32 - HB2 GLU 44 far 0 34 0 - 8.3-11.0 QD2 LEU 42 - HB2 GLU 35 far 0 44 0 - 8.5-10.6 QD1 LEU 6 - HB2 GLU 35 far 0 48 0 - 9.1-12.0 QD1 LEU 70 - HB2 GLU 44 far 0 53 0 - 9.1-12.4 QG2 VAL 32 - HB3 GLU 44 far 0 34 0 - 9.4-10.8 QD2 LEU 38 - HB3 GLU 44 far 0 45 0 - 9.6-12.6 QD1 LEU 27 - HB3 GLU 17 far 0 82 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10429 from cnoeabs.peaks (0.70, 2.01, 29.01 ppm; 4.63 A): 3 out of 19 assignments used, quality = 0.73: QD1 ILE 52 + HB2 GLN 50 OK 47 86 65 84 4.9-8.1 3.1/10643=19...(20) QD1 LEU 14 + HB3 GLU 17 OK 30 85 40 89 4.2-6.6 4.0/593=49, 8398/6269=19...(13) QD2 LEU 14 + HB3 GLU 17 OK 27 100 30 92 5.0-7.0 4.0/593=49, 8400/6269=20...(15) QD1 ILE 52 - HB2 GLU 44 poor 18 61 30 - 5.6-7.0 QD1 ILE 52 - HB3 GLU 44 poor 14 61 40 56 5.4-7.5 9152/4.7=36, 8975/3.9=19...(5) QD2 LEU 6 - HB2 GLU 44 poor 11 56 20 - 5.7-8.3 QD1 ILE 8 - HB2 GLU 35 far 0 63 0 - 6.4-8.9 QD2 LEU 6 - HB3 GLU 44 far 0 56 0 - 6.9-8.3 QD1 LEU 42 - HB2 GLU 35 far 0 59 0 - 7.0-8.6 QD1 LEU 42 - HB2 GLU 44 far 0 58 0 - 7.1-9.0 QD1 LEU 42 - HB3 GLU 44 far 0 58 0 - 7.4-9.0 QG1 VAL 5 - HB3 GLU 17 far 0 87 0 - 7.8-9.4 QG1 VAL 58 - HB2 GLU 35 far 0 56 0 - 8.0-9.7 QD1 ILE 56 - HB2 GLU 44 far 0 62 0 - 8.1-11.4 QD1 ILE 56 - HB2 GLU 35 far 0 64 0 - 8.8-11.4 QD1 ILE 56 - HB3 GLU 44 far 0 62 0 - 9.2-12.1 QG2 VAL 78 - HB2 GLU 44 far 0 54 0 - 9.5-11.7 QD2 LEU 6 - HB2 GLU 35 far 0 57 0 - 9.6-12.3 QG2 VAL 58 - HB2 GLU 35 far 0 46 0 - 9.6-11.3 Violated in 15 structures by 0.41 A. Peak 10430 from cnoeabs.peaks (0.80, 2.43, 36.00 ppm; 4.65 A): 2 out of 18 assignments used, quality = 0.94: QD2 LEU 2 + HG3 GLU 48 OK 80 82 100 98 1.9-6.1 2.1/10432=59, ~9038=40...(23) QG2 ILE 52 + HG3 GLU 48 OK 71 71 100 100 2.0-4.3 3.1/10431=53, ~9177=37...(35) QD1 ILE 76 - HG3 GLU 48 far 8 84 10 - 5.7-8.9 QD2 LEU 103 - HG3 GLU 99 lone 0 78 40 1 3.1-10.4 QD1 LEU 27 - HG3 GLU 99 far 0 71 0 - 6.5-9.3 QG2 ILE 15 - HG3 GLU 17 far 0 99 0 - 6.6-7.4 QD1 ILE 93 - HG3 GLU 17 far 0 77 0 - 6.7-8.4 QG1 VAL 54 - HG3 GLU 48 far 0 45 0 - 7.1-9.6 QG2 ILE 7 - HG3 GLU 17 far 0 100 0 - 7.7-8.7 QD2 LEU 42 - HG3 GLU 48 far 0 53 0 - 8.2-10.8 QD2 LEU 57 - HG3 GLU 99 far 0 98 0 - 8.3-12.4 QD1 LEU 57 - HG3 GLU 17 far 0 81 0 - 8.9-11.5 QD2 LEU 2 - HG3 GLU 99 far 0 96 0 - 9.1-15.2 QD1 LEU 6 - HG3 GLU 48 far 0 60 0 - 9.2-12.6 QD1 LEU 57 - HG3 GLU 99 far 0 76 0 - 9.3-12.8 QD2 LEU 57 - HG3 GLU 17 far 0 100 0 - 9.6-11.4 QD1 ILE 93 - HG3 GLU 99 far 0 73 0 - 9.7-12.0 QG1 VAL 54 - HG3 GLU 99 far 0 58 0 - 9.7-14.8 Violated in 0 structures by 0.00 A. Peak 10431 from cnoeabs.peaks (0.69, 2.43, 36.00 ppm; 4.29 A): 2 out of 11 assignments used, quality = 0.88: QD1 ILE 52 + HG3 GLU 48 OK 83 83 100 100 1.9-4.3 9177/3.0=66, 9175=62...(33) QD1 LEU 14 + HG3 GLU 17 OK 27 99 30 92 4.8-7.2 4.0/8478=31, 8417=28...(18) QD2 LEU 14 - HG3 GLU 17 far 14 92 15 - 5.5-6.8 QG2 VAL 54 - HG3 GLU 48 far 3 52 5 - 5.7-7.8 QD1 LEU 29 - HG3 GLU 17 far 0 68 0 - 7.8-9.6 QG1 VAL 5 - HG3 GLU 99 far 0 58 0 - 8.5-12.3 QD2 LEU 6 - HG3 GLU 48 far 0 84 0 - 8.6-11.7 QG2 VAL 54 - HG3 GLU 99 far 0 65 0 - 9.4-14.3 QG1 VAL 5 - HG3 GLU 17 far 0 61 0 - 9.5-10.7 QD1 ILE 56 - HG3 GLU 99 far 0 89 0 - 9.7-15.2 QD1 LEU 42 - HG3 GLU 48 far 0 84 0 - 9.7-12.3 Violated in 0 structures by 0.00 A. Peak 10432 from cnoeabs.peaks (0.87, 2.43, 36.00 ppm; 4.52 A): 2 out of 4 assignments used, quality = 0.83: QD1 LEU 2 + HG3 GLU 48 OK 78 79 100 99 1.9-5.3 9038/3.0=47...(25) QG2 ILE 76 + HG3 GLU 48 OK 24 78 50 62 4.6-7.4 9034/6794=20...(12) QD1 LEU 103 - HG3 GLU 99 lone 0 98 30 1 3.5-10.8 HG13 ILE 7 - HG3 GLU 17 far 0 87 0 - 7.6-10.4 Violated in 4 structures by 0.04 A. Peak 10433 from cnoeabs.peaks (1.69, 2.01, 29.01 ppm; 3.35 A): 6 out of 33 assignments used, quality = 0.97: HD3 LYS 90 + HB3 GLU 17 OK 81 100 90 90 1.9-5.2 2.9/12029=22, ~12027=21...(46) HG3 LYS 20 + HB3 GLU 17 OK 46 93 70 71 4.1-7.2 894/2.9=19, 1.8/10434=17...(23) HD3 LYS 66 + HB2 GLU 35 OK 32 62 65 79 2.8-6.2 12058/1.8=17, ~12289=11...(33) HD2 LYS 20 + HB3 GLU 17 OK 31 96 50 66 4.2-5.9 2.8/10434=15...(24) HD3 LYS 47 + HB3 GLU 44 OK 27 59 55 84 3.9-7.3 12090/3.0=20, ~12088=16...(20) HD3 LYS 20 + HB3 GLU 17 OK 21 93 35 63 3.7-7.3 2.8/10434=15, ~894=9...(24) HD2 LYS 47 - HB3 GLU 44 poor 12 59 20 - 3.9-7.8 HD3 LYS 47 - HB2 GLU 44 far 9 59 15 - 3.5-8.4 HD2 LYS 47 - HB2 GLU 44 far 6 59 10 - 4.3-8.2 HG2 PRO 86 - HB3 GLU 17 far 5 100 5 - 4.3-6.6 HD2 LYS 39 - HB2 GLU 35 far 5 31 15 - 4.7-7.2 HG LEU 70 - HB2 GLU 35 far 3 64 5 - 4.8-6.2 HB ILE 52 - HB2 GLN 50 far 0 72 0 - 4.9-8.6 HD3 LYS 13 - HB3 GLU 17 far 0 99 0 - 5.2-10.5 HB3 LYS 40 - HB2 GLU 44 far 0 60 0 - 5.3-8.6 HD2 LYS 13 - HB3 GLU 17 far 0 100 0 - 5.5-10.1 HB3 LEU 70 - HB2 GLU 35 far 0 52 0 - 6.3-7.8 HB2 LEU 2 - HB2 GLN 50 far 0 86 0 - 6.3-11.9 HB3 LYS 40 - HB3 GLU 44 far 0 60 0 - 6.4-9.2 HB ILE 15 - HB3 GLU 17 far 0 65 0 - 6.9-8.6 HG12 ILE 15 - HB3 GLU 17 far 0 100 0 - 7.3-9.1 HD2 LYS 73 - HB2 GLU 35 far 0 47 0 - 7.6-10.4 HD3 LYS 73 - HB2 GLU 35 far 0 45 0 - 8.3-10.9 HB3 ARG 91 - HB3 GLU 17 far 0 99 0 - 8.6-10.9 HB ILE 52 - HB3 GLU 44 far 0 50 0 - 8.6-10.6 HB ILE 52 - HB2 GLU 44 far 0 50 0 - 8.7-10.4 HD3 LYS 24 - HB3 GLU 17 far 0 100 0 - 8.8-14.0 HD2 LYS 12 - HB3 GLU 17 far 0 100 0 - 8.8-12.3 HD3 LYS 12 - HB3 GLU 17 far 0 100 0 - 9.2-13.8 HB3 LYS 40 - HB2 GLU 35 far 0 61 0 - 9.2-10.6 HB2 LEU 2 - HB3 GLU 44 far 0 61 0 - 9.7-13.1 HD2 LYS 24 - HB3 GLU 17 far 0 100 0 - 9.8-14.6 HD2 LYS 39 - HB2 GLU 44 far 0 30 0 - 9.8-13.1 Violated in 6 structures by 0.02 A. Peak 10434 from cnoeabs.peaks (1.48, 2.01, 29.01 ppm; 4.21 A): 4 out of 34 assignments used, quality = 0.91: HG2 LYS 20 + HB3 GLU 17 OK 69 88 90 87 4.4-6.4 ~894=21, 883/2.9=21...(24) HG3 LYS 66 + HB2 GLU 35 OK 47 60 85 93 3.1-6.8 12157=19, 2.9/12029=17...(31) HB2 LEU 38 + HB2 GLU 35 OK 31 48 65 97 4.6-7.8 1629/1.8=27...(39) HG2 LYS 47 + HB3 GLU 44 OK 20 60 35 98 4.4-8.4 12088/3.0=61, ~12089=40...(20) HG2 LYS 66 - HB2 GLU 35 poor 20 61 35 94 2.7-7.7 2.9/12029=17...(33) HG LEU 38 - HB2 GLU 35 poor 18 53 35 - 5.0-7.9 HG2 LYS 47 - HB2 GLU 44 poor 15 60 25 - 5.0-9.2 HD3 LYS 40 - HB2 GLU 44 far 6 57 10 - 4.4-10.0 HG13 ILE 52 - HB2 GLN 50 far 4 72 5 - 4.8-8.8 HD3 LYS 40 - HB3 GLU 44 far 3 57 5 - 4.6-10.7 HD2 LYS 40 - HB2 GLU 44 far 3 56 5 - 5.5-9.3 HG LEU 2 - HB2 GLN 50 far 3 53 5 - 5.7-10.7 HG3 LYS 39 - HB2 GLU 35 far 2 31 5 - 4.9-9.1 HG3 ARG 91 - HB3 GLU 17 far 0 81 0 - 6.0-8.5 HD2 LYS 40 - HB3 GLU 44 far 0 56 0 - 6.0-10.2 HG3 LYS 13 - HB3 GLU 17 far 0 95 0 - 6.5-9.5 HB2 ARG 91 - HB3 GLU 17 far 0 100 0 - 7.8-10.0 HG LEU 57 - HB3 GLU 17 far 0 91 0 - 8.0-10.3 HG13 ILE 52 - HB3 GLU 44 far 0 50 0 - 8.2-10.9 HG3 LYS 39 - HB3 GLU 44 far 0 30 0 - 8.3-12.6 HG2 LYS 53 - HB2 GLN 50 far 0 79 0 - 8.3-12.7 HG LEU 2 - HB2 GLU 44 far 0 35 0 - 8.5-12.1 HG13 ILE 52 - HB2 GLU 44 far 0 50 0 - 8.6-10.3 HG3 LYS 39 - HB2 GLU 44 far 0 30 0 - 8.6-10.9 HG2 LYS 12 - HB3 GLU 17 far 0 68 0 - 9.1-12.3 HG3 LYS 33 - HB2 GLU 35 far 0 49 0 - 9.2-10.1 HD3 LYS 40 - HB2 GLU 35 far 0 58 0 - 9.4-13.4 HG LEU 2 - HB3 GLU 44 far 0 35 0 - 9.5-11.5 HG LEU 38 - HB2 GLU 44 far 0 52 0 - 9.5-13.5 HG2 LYS 73 - HB2 GLU 35 far 0 60 0 - 9.5-12.0 HG3 LYS 24 - HB3 GLU 17 far 0 81 0 - 9.7-12.2 HG2 LYS 47 - HB2 GLN 50 far 0 84 0 - 9.7-11.6 HD2 LYS 53 - HB2 GLN 50 far 0 74 0 - 9.8-12.1 HG3 LYS 53 - HB2 GLN 50 far 0 83 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 10436 from cnoeabs.peaks (1.70, 2.24, 36.00 ppm; 4.22 A): 7 out of 23 assignments used, quality = 0.98: HD3 LYS 90 + HG2 GLU 17 OK 67 100 70 97 2.5-7.0 3.0/11024=28, ~12027=27...(44) HG2 PRO 86 + HG2 GLU 17 OK 60 99 95 64 2.9-5.8 9887/8477=33, ~12333=23...(11) HD2 LYS 90 + HG2 GLU 17 OK 46 63 75 96 3.5-6.3 3.0/11024=28, ~12027=27...(47) HD2 LYS 20 + HG2 GLU 17 OK 40 85 75 62 3.8-6.8 661/6257=13, ~10434=11...(12) HD2 LYS 13 + HG2 GLU 17 OK 22 100 45 49 3.9-7.8 2.9/11024=15, 3.6/753=13...(9) HD3 LYS 13 + HG2 GLU 17 OK 22 100 45 49 4.2-8.5 2.9/11024=15, 3.6/753=13...(9) HG3 LYS 20 + HG2 GLU 17 OK 22 81 40 67 4.5-8.3 894/3.9=19, ~10434=15...(12) HD3 LYS 20 - HG2 GLU 17 poor 18 81 40 57 3.9-6.8 ~10434=11, 1.8/12233=10...(12) HD3 LYS 24 - HG2 GLU 23 far 3 53 5 - 5.6-10.3 HB3 LYS 53 - HG2 GLU 99 far 0 67 0 - 6.3-11.4 HB ILE 15 - HG2 GLU 17 far 0 82 0 - 6.5-8.7 HG3 LYS 20 - HG2 GLU 23 far 0 37 0 - 6.6-8.8 HD2 LYS 24 - HG2 GLU 23 far 0 53 0 - 6.9-10.0 HD2 LYS 20 - HG2 GLU 23 far 0 40 0 - 6.9-9.9 HD3 LYS 12 - HG2 GLU 17 far 0 100 0 - 6.9-13.3 HD2 LYS 12 - HG2 GLU 17 far 0 100 0 - 7.0-11.9 HD2 LYS 24 - HG2 GLU 98 far 0 59 0 - 7.3-12.6 HD3 LYS 24 - HG2 GLU 98 far 0 59 0 - 7.6-12.4 HG12 ILE 15 - HG2 GLU 17 far 0 99 0 - 7.7-9.5 HD3 LYS 20 - HG2 GLU 23 far 0 37 0 - 7.9-10.2 HB3 ARG 91 - HG2 GLU 99 far 0 64 0 - 9.6-13.2 HB3 ARG 91 - HG2 GLU 17 far 0 92 0 - 9.8-12.3 HD2 ARG 81 - HG2 GLU 99 far 0 61 0 - 9.9-14.8 Violated in 0 structures by 0.00 A. Peak 10437 from cnoeabs.peaks (2.03, 1.23, 17.96 ppm; 4.19 A): 3 out of 6 assignments used, quality = 1.00: HG12 ILE 93 + QB ALA 18 OK 99 100 100 99 3.6-5.2 2.1/10020=91, ~10026=34...(17) HB2 MET 21 + QB ALA 18 OK 91 93 100 98 3.9-5.1 959/2.1=61, 6333/8560=42...(16) HB3 GLU 17 + QB ALA 18 OK 84 85 100 99 3.9-5.0 6269/2.9=61, ~742=39...(20) HB3 LYS 94 - QB ALA 18 far 0 99 0 - 8.1-9.7 HG2 GLU 28 - QB ALA 18 far 0 73 0 - 9.6-11.0 HG3 GLU 28 - QB ALA 18 far 0 73 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 10439 from cnoeabs.peaks (1.22, 1.89, 29.57 ppm; 5.37 A): 1 out of 3 assignments used, quality = 1.00: QB ALA 18 + HB2 ARG 19 OK 100 100 100 100 4.1-5.4 6283/789=92, 8511/3.0=82...(21) HB2 LEU 57 - HB3 GLU 104 far 0 43 0 - 9.0-19.2 HB2 LEU 57 - HB2 ARG 19 far 0 85 0 - 9.7-12.2 Violated in 1 structures by 0.00 A. Peak 10440 from cnoeabs.peaks (1.23, 1.93, 29.57 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: QB ALA 18 + HB3 ARG 19 OK 100 100 100 100 4.4-5.4 6283/799=88, 8511/3.0=77...(15) Violated in 16 structures by 0.19 A. Peak 10443 from cnoeabs.peaks (1.61, 2.10, 17.93 ppm; 3.38 A): 4 out of 9 assignments used, quality = 1.00: HD3 LYS 94 + QE MET 21 OK 92 99 100 93 1.9-4.0 12251=28, 3.0/8551=27...(30) HD2 LYS 94 + QE MET 21 OK 89 96 100 93 2.0-3.3 12250=29, 3.0/8551=27...(27) HG2 LYS 24 + QE MET 21 OK 51 88 70 83 3.1-6.0 3.7/8540=30...(13) HG3 LYS 90 + QE MET 21 OK 23 85 30 89 3.6-6.5 4.0/8543=33...(29) HG LEU 27 - QE MET 21 far 10 99 10 - 4.6-6.4 HB3 LEU 29 - QE MET 21 far 0 98 0 - 6.1-8.0 HG2 ARG 19 - QE MET 21 far 0 87 0 - 7.9-9.1 HG LEU 103 - QE MET 21 far 0 82 0 - 8.8-17.4 HB2 LEU 103 - QE MET 21 far 0 87 0 - 8.8-16.4 Violated in 0 structures by 0.00 A. Peak 10444 from cnoeabs.peaks (1.71, 2.10, 17.93 ppm; 3.42 A): 0 out of 10 assignments used, quality = 0.00: HD3 LYS 24 - QE MET 21 poor 15 96 30 51 4.0-7.3 4.9/8540=23, 6.3/8538=13...(8) HD2 LYS 24 - QE MET 21 poor 12 96 25 52 3.4-7.0 4.9/8540=23, 6.3/8538=13...(8) HG3 LYS 20 - QE MET 21 far 6 63 10 - 4.4-8.1 HD2 LYS 90 - QE MET 21 far 0 81 0 - 5.0-7.3 HD3 LYS 90 - QE MET 21 far 0 96 0 - 5.3-6.7 HB3 ARG 91 - QE MET 21 far 0 79 0 - 6.0-7.1 HD2 LYS 20 - QE MET 21 far 0 70 0 - 6.0-8.6 HD3 LYS 20 - QE MET 21 far 0 63 0 - 6.3-8.8 HB2 GLU 28 - QE MET 21 far 0 75 0 - 9.5-11.2 HG2 PRO 86 - QE MET 21 far 0 93 0 - 9.9-11.2 Violated in 19 structures by 0.79 A. Peak 10445 from cnoeabs.peaks (0.66, 2.10, 17.93 ppm; 4.92 A): 1 out of 5 assignments used, quality = 0.31: QD2 LEU 29 + QE MET 21 OK 31 95 50 65 5.4-7.5 8568/6351=37...(5) QD1 LEU 29 - QE MET 21 far 15 100 15 - 5.6-7.8 QD1 ILE 7 - QE MET 21 far 0 59 0 - 6.5-7.3 QD1 LEU 14 - QE MET 21 far 0 94 0 - 7.8-8.8 QD2 LEU 6 - QE MET 21 far 0 82 0 - 8.7-11.0 Violated in 20 structures by 1.49 A. Peak 10447 from cnoeabs.peaks (4.13, 3.83, 55.43 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.98: HA GLU 23 + HA ALA 22 OK 96 96 100 100 4.7-4.8 8637/8638=67...(17) HA GLN 72 + HA ALA 71 OK 47 48 100 100 4.7-4.8 ~7170=60, 3.6/9579=52...(19) HA LYS 24 - HA ALA 22 far 8 77 10 - 6.3-6.6 HA GLN 72 - HA ALA 67 far 0 51 0 - 8.8-9.6 HA GLU 62 - HA ALA 67 far 0 63 0 - 9.1-10.1 Violated in 0 structures by 0.00 A. Peak 10448 from cnoeabs.peaks (4.40, 3.83, 55.43 ppm; 4.77 A): 4 out of 6 assignments used, quality = 1.00: HA MET 21 + HA ALA 22 OK 99 100 100 100 4.7-4.8 6360/3.6=55, ~6345=46...(20) HA ALA 25 + HA ALA 22 OK 99 99 100 100 5.1-5.9 3.0/6394=80...(15) HA MET 74 + HA ALA 71 OK 59 61 100 98 5.2-6.0 3330/9613=52...(15) HA ILE 76 + HA ALA 71 OK 23 46 50 99 5.6-6.8 3.0/9649=69, 3.0/9648=66...(14) HA VAL 32 - HA ALA 67 far 0 64 0 - 8.4-10.3 HA MET 74 - HA ALA 67 far 0 65 0 - 10.0-11.4 Violated in 0 structures by 0.00 A. Peak 10451 from cnoeabs.peaks (4.14, 1.44, 18.06 ppm; 4.96 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 23 + QB ALA 22 OK 99 99 100 100 3.7-3.9 4.5=100 HA LYS 24 - QB ALA 22 poor 17 68 25 - 6.4-6.8 Violated in 0 structures by 0.00 A. Peak 10452 from cnoeabs.peaks (4.31, 1.44, 18.06 ppm; 5.27 A): 1 out of 2 assignments used, quality = 0.99: HA GLU 28 + QB ALA 22 OK 99 100 100 99 3.1-4.2 6462/8586=79...(10) HA LEU 103 - QB ALA 22 far 0 100 0 - 9.8-15.7 Violated in 0 structures by 0.00 A. Peak 10453 from cnoeabs.peaks (5.66, 1.44, 18.06 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 29 + QB ALA 22 OK 100 100 100 100 3.2-3.7 2.9/8577=89, 2.9/8586=75...(23) Violated in 0 structures by 0.00 A. Peak 10455 from cnoeabs.peaks (4.65, 1.44, 18.06 ppm; 6.25 A): 1 out of 2 assignments used, quality = 1.00: HA LEU 27 + QB ALA 22 OK 100 100 100 100 4.1-4.8 ~8638=80, ~8636=77...(18) HA LEU 55 - QB ALA 22 far 0 96 0 - 7.8-8.4 Violated in 0 structures by 0.00 A. Peak 10456 from cnoeabs.peaks (1.76, 1.44, 18.06 ppm; 4.83 A): 2 out of 5 assignments used, quality = 0.99: HG3 ARG 19 + QB ALA 22 OK 93 100 100 93 4.6-5.8 782/1007=41...(10) HB2 GLU 28 + QB ALA 22 OK 87 94 100 93 4.9-5.8 3.0/10452=58...(8) HD2 LYS 90 - QB ALA 22 far 0 91 0 - 8.1-10.0 HB ILE 15 - QB ALA 22 far 0 75 0 - 9.0-10.1 HB ILE 56 - QB ALA 22 far 0 100 0 - 9.7-10.7 Violated in 10 structures by 0.03 A. Peak 10459 from cnoeabs.peaks (1.44, 2.49, 36.23 ppm; 4.42 A): 1 out of 11 assignments used, quality = 0.99: QB ALA 22 + HG3 GLU 23 OK 99 100 100 99 3.6-4.5 3.6/1042=68, 8584/2.9=53...(13) HG2 LYS 20 - HG3 GLU 23 poor 17 90 35 55 4.9-6.4 3.7/10471=44, 4.9/4397=8...(6) HG LEU 29 - HG3 GLU 23 far 10 100 10 - 5.1-8.8 HB2 LEU 27 - HG3 GLU 23 far 4 90 5 - 5.8-7.2 HD2 LYS 82 - HG3 GLU 63 far 2 43 5 - 5.0-10.2 HG LEU 38 - HG3 GLU 63 far 0 43 0 - 7.2-10.3 HG12 ILE 7 - HG3 GLU 63 far 0 54 0 - 8.0-10.1 QB ALA 22 - HG3 GLU 98 far 0 73 0 - 8.1-10.0 HB2 LEU 38 - HG3 GLU 63 far 0 47 0 - 8.5-11.1 HB2 LEU 27 - HG3 GLU 98 far 0 60 0 - 9.1-10.7 HG3 LYS 53 - HG3 GLU 98 far 0 45 0 - 9.9-12.3 Violated in 3 structures by 0.01 A. Peak 10460 from cnoeabs.peaks (1.46, 2.27, 36.23 ppm; 4.30 A): 5 out of 45 assignments used, quality = 0.96: QB ALA 22 + HG2 GLU 23 OK 84 87 100 97 3.4-5.4 3.6/6367=58, 4.5/1016=54...(9) HB2 LEU 27 + HG2 GLU 23 OK 33 100 70 47 4.8-7.7 10463/1016=31...(3) HG2 LYS 66 + HG2 GLU 62 OK 27 34 100 79 3.5-5.6 2.9/12290=16...(17) HG2 LYS 66 + HG3 GLU 62 OK 27 34 100 79 2.2-4.4 2.9/12290=16...(18) HG3 LYS 66 + HG3 GLU 62 OK 23 32 95 77 2.1-5.8 2.9/12290=16...(17) HG3 LYS 66 - HG2 GLU 62 poor 18 32 75 78 3.0-6.8 2.9/12290=16...(17) HG3 LYS 66 - HG2 GLU 63 poor 16 32 50 - 5.2-8.2 HG2 LYS 12 - HG3 GLU 16 poor 14 45 30 - 3.1-8.5 HG2 LYS 20 - HG2 GLU 17 poor 11 54 20 - 5.1-7.5 HG2 LYS 66 - HG2 GLU 63 poor 10 35 30 - 4.9-7.1 HG LEU 29 - HG2 GLU 23 far 4 87 5 - 5.2-10.4 HG2 LYS 13 - HG2 GLU 17 far 4 36 10 - 5.7-7.3 HB2 ARG 91 - HG2 GLU 95 lone 3 65 50 10 5.0-7.3 10581/10036=6, ~4018=2 HD2 LYS 82 - HG2 GLU 63 far 3 57 5 - 5.3-8.8 HG3 LYS 13 - HG2 GLU 17 far 3 27 10 - 5.4-7.8 HG2 LYS 20 - HG3 GLU 16 far 2 50 5 - 5.5-7.8 HB3 LEU 64 - HG2 GLU 63 far 2 36 5 - 4.5-6.9 HG2 LYS 13 - HG3 GLU 16 far 0 33 0 - 5.8-6.6 HG2 LYS 20 - HG2 GLU 23 far 0 100 0 - 6.3-8.0 HG3 LYS 13 - HG3 GLU 16 far 0 24 0 - 6.5-7.8 HG3 ARG 91 - HG2 GLU 95 far 0 85 0 - 6.6-9.0 HG LEU 64 - HG2 GLU 63 far 0 46 0 - 6.8-8.2 HG3 ARG 91 - HG2 GLU 17 far 0 53 0 - 6.9-9.5 HG2 LYS 12 - HG2 GLU 17 far 0 50 0 - 7.1-11.6 HG LEU 38 - HG2 GLU 63 far 0 57 0 - 7.1-10.4 HD2 LYS 82 - HG2 GLU 62 far 0 55 0 - 7.3-10.8 HG LEU 38 - HG2 GLU 62 far 0 55 0 - 7.4-11.9 HB3 LEU 64 - HG2 GLU 62 far 0 35 0 - 7.5-8.4 HG LEU 38 - HG3 GLU 62 far 0 55 0 - 7.5-11.3 HB3 LEU 64 - HG3 GLU 62 far 0 35 0 - 7.7-8.7 HG LEU 64 - HG2 GLU 62 far 0 45 0 - 7.8-8.8 HG LEU 64 - HG3 GLU 62 far 0 45 0 - 7.8-8.7 HB2 LEU 38 - HG3 GLU 62 far 0 55 0 - 8.3-11.4 HB2 LEU 38 - HG2 GLU 63 far 0 56 0 - 8.4-11.1 HB2 LEU 38 - HG2 GLU 62 far 0 55 0 - 8.4-12.3 HG LEU 29 - HG3 GLU 16 far 0 38 0 - 8.6-11.2 HD2 LYS 82 - HG3 GLU 62 far 0 55 0 - 8.6-11.4 QB ALA 22 - HG2 GLU 95 far 0 70 0 - 8.6-12.3 HG12 ILE 7 - HG2 GLU 17 far 0 30 0 - 8.8-11.1 HB2 ARG 91 - HG2 GLU 17 far 0 38 0 - 8.9-12.1 HG12 ILE 7 - HG3 GLU 16 far 0 27 0 - 8.9-11.1 HG LEU 29 - HG2 GLU 17 far 0 41 0 - 8.9-12.5 QB ALA 22 - HG2 GLU 17 far 0 41 0 - 9.4-10.6 HG12 ILE 7 - HG2 GLU 63 far 0 31 0 - 9.4-11.5 QB ALA 22 - HG3 GLU 16 far 0 38 0 - 9.7-11.2 Violated in 0 structures by 0.00 A. Peak 10461 from cnoeabs.peaks (1.48, 2.15, 29.16 ppm; 4.27 A): 4 out of 33 assignments used, quality = 0.85: HG2 LYS 20 + HB3 GLU 16 OK 57 86 85 78 3.8-6.0 883/3.0=19, ~12058=15...(18) HG2 LYS 73 + HB3 GLU 69 OK 35 54 100 64 4.0-5.6 10819/4.6=25...(11) HG2 LYS 73 + HB2 GLU 69 OK 28 54 80 64 4.5-6.6 10819/4.6=25...(11) HG2 LYS 20 + HB3 GLU 23 OK 24 94 70 37 5.2-7.5 3.7/857=27, ~12187=4...(5) HG13 ILE 52 - HB3 GLN 50 far 6 58 10 - 5.4-9.2 HG3 LYS 66 - HB2 GLU 69 far 5 53 10 - 5.2-7.6 HG2 LYS 12 - HB3 GLU 16 far 3 69 5 - 4.9-9.0 HG2 LYS 66 - HB2 GLU 69 far 3 55 5 - 5.6-7.4 HG3 LYS 66 - HB3 GLU 69 far 3 53 5 - 4.9-9.2 HG LEU 2 - HB3 GLN 50 far 2 31 5 - 5.6-11.2 HG3 LYS 13 - HB3 GLU 16 far 0 81 0 - 6.1-9.1 HG2 LYS 66 - HB3 GLU 69 far 0 55 0 - 6.1-8.6 HB2 LEU 27 - HB3 GLU 23 far 0 94 0 - 6.2-7.5 HG3 LYS 24 - HB3 GLU 23 far 0 71 0 - 6.6-7.5 HG LEU 38 - HB2 GLU 69 far 0 55 0 - 6.9-10.3 HG3 LYS 39 - HB2 GLU 69 far 0 36 0 - 7.0-12.3 HB2 ARG 91 - HB3 GLU 95 far 0 63 0 - 7.1-9.3 HB2 LEU 38 - HB2 GLU 69 far 0 52 0 - 7.4-9.6 HG13 ILE 76 - HB3 GLN 50 far 0 33 0 - 7.4-11.9 HG LEU 64 - HB2 GLU 69 far 0 61 0 - 7.6-9.1 HG3 LYS 39 - HB3 GLU 69 far 0 36 0 - 8.1-11.9 HG LEU 38 - HB3 GLU 69 far 0 55 0 - 8.1-11.8 HG2 LYS 53 - HB3 GLN 50 far 0 63 0 - 8.2-11.9 HG LEU 64 - HB3 GLU 69 far 0 61 0 - 8.2-9.9 HB2 LEU 38 - HB3 GLU 69 far 0 52 0 - 8.2-10.3 HG3 ARG 91 - HB3 GLU 95 far 0 53 0 - 9.0-11.2 HG LEU 57 - HB3 GLU 95 far 0 49 0 - 9.4-11.9 HB3 LEU 64 - HB2 GLU 69 far 0 56 0 - 9.6-11.0 HD2 LYS 53 - HB3 GLN 50 far 0 60 0 - 9.7-12.6 HG3 LYS 53 - HB3 GLN 50 far 0 66 0 - 9.8-12.0 HB3 LEU 64 - HB3 GLU 69 far 0 56 0 - 9.9-12.1 HG2 LYS 53 - HB3 GLU 95 far 0 63 0 - 10.0-13.6 HG2 LYS 47 - HB3 GLN 50 far 0 60 0 - 10.0-12.3 Violated in 3 structures by 0.02 A. Peak 10462 from cnoeabs.peaks (1.46, 2.09, 29.16 ppm; 3.90 A): 6 out of 25 assignments used, quality = 0.98: QB ALA 22 + HB2 GLU 23 OK 67 87 80 96 4.5-5.5 3.6/6365=58, 8584/1.8=37...(12) HG LEU 38 + HB3 GLU 35 OK 59 88 70 95 4.3-7.1 1645=27, 3.0/1629=23...(34) HB2 LEU 38 + HB3 GLU 35 OK 55 88 65 96 3.8-7.6 1629=34, 1627/3.0=21...(37) HG2 LYS 20 + HB2 GLU 16 OK 45 96 60 78 4.0-5.8 10461/1.8=23, 848/3.0=19...(16) HG3 LYS 66 + HB3 GLU 35 OK 39 55 80 88 2.0-6.4 2.9/12288=14...(31) HG3 LYS 39 + HB3 GLU 43 OK 27 67 50 82 4.4-8.4 10574/3.0=33...(16) HG2 LYS 66 - HB3 GLU 35 poor 18 58 35 89 2.9-7.8 2.9/12288=14...(33) HG3 LYS 39 - HB3 GLU 35 poor 16 78 20 - 4.3-9.1 HD2 LYS 40 - HB3 GLU 43 poor 15 75 20 - 5.1-6.5 HD3 LYS 40 - HB3 GLU 43 far 8 75 10 - 4.6-7.5 HG2 LYS 47 - HB3 GLU 43 far 5 49 10 - 5.2-9.0 HG2 LYS 12 - HB2 GLU 16 far 5 91 5 - 5.3-8.8 HG2 LYS 20 - HB2 GLU 23 far 0 100 0 - 5.8-8.1 HG2 LYS 13 - HB2 GLU 16 far 0 72 0 - 6.1-8.1 HB2 LEU 27 - HB2 GLU 23 far 0 100 0 - 6.3-7.7 HG13 ILE 76 - HB3 GLU 43 far 0 61 0 - 6.7-8.1 HG3 LYS 13 - HB2 GLU 16 far 0 55 0 - 7.0-9.1 HG LEU 29 - HB2 GLU 23 far 0 87 0 - 7.5-9.9 HG2 LYS 73 - HB3 GLU 35 far 0 57 0 - 8.0-11.3 HG LEU 29 - HB2 GLU 16 far 0 80 0 - 8.4-10.4 HG12 ILE 7 - HB2 GLU 16 far 0 61 0 - 8.7-11.3 QB ALA 22 - HB2 GLU 16 far 0 80 0 - 8.8-9.8 HD3 LYS 40 - HB3 GLU 35 far 0 87 0 - 9.1-12.6 HB2 LEU 38 - HB3 GLU 43 far 0 76 0 - 9.1-11.0 HG LEU 38 - HB3 GLU 43 far 0 76 0 - 9.3-12.7 Violated in 3 structures by 0.01 A. Peak 10463 from cnoeabs.peaks (1.46, 4.15, 59.00 ppm; 3.75 A): 2 out of 4 assignments used, quality = 0.95: QB ALA 22 + HA GLU 23 OK 80 81 100 99 3.7-3.9 4.5=58, 6363/3.0=41...(18) HB2 LEU 27 + HA GLU 23 OK 73 100 95 77 3.9-5.4 4.0/8637=43...(9) HG LEU 29 - HA GLU 23 far 0 81 0 - 6.8-9.0 HG2 LYS 20 - HA GLU 23 far 0 100 0 - 7.9-8.6 Violated in 0 structures by 0.00 A. Peak 10464 from cnoeabs.peaks (1.58, 2.49, 36.23 ppm; 4.43 A): 2 out of 16 assignments used, quality = 0.92: HG2 ARG 19 + HG3 GLU 23 OK 88 100 100 88 4.5-5.3 12291=67, 809/8513=24...(9) HB3 LEU 29 + HG3 GLU 23 OK 38 95 80 50 3.4-6.9 10458/1042=18...(9) HD3 LYS 94 - HG3 GLU 98 far 9 63 15 - 4.6-7.7 HD3 LYS 82 - HG3 GLU 63 far 5 52 10 - 5.1-8.8 HB3 GLU 28 - HG3 GLU 23 far 5 96 5 - 5.9-9.4 HG2 LYS 24 - HG3 GLU 23 far 0 100 0 - 6.1-9.0 HD2 LYS 66 - HG3 GLU 63 far 0 45 0 - 7.1-9.4 HG LEU 27 - HG3 GLU 23 far 0 93 0 - 7.1-9.0 HG LEU 27 - HG3 GLU 98 far 0 63 0 - 7.3-8.7 HG2 LYS 24 - HG3 GLU 98 far 0 72 0 - 7.4-11.4 HG LEU 103 - HG3 GLU 98 far 0 73 0 - 8.3-17.8 HB2 LEU 3 - HG3 GLU 98 far 0 55 0 - 8.3-9.5 HG3 LYS 90 - HG3 GLU 23 far 0 100 0 - 8.3-12.6 HB2 LEU 103 - HG3 GLU 98 far 0 72 0 - 8.5-16.3 HB2 ARG 30 - HG3 GLU 23 far 0 87 0 - 9.3-12.1 HD3 LYS 94 - HG3 GLU 23 far 0 93 0 - 9.7-13.6 Violated in 7 structures by 0.04 A. Peak 10465 from cnoeabs.peaks (1.33, 2.49, 36.23 ppm; 4.79 A): 2 out of 12 assignments used, quality = 0.65: HG2 LYS 94 + HG3 GLU 98 OK 44 71 95 66 2.9-6.4 1.8/12257=24, 12255=21...(7) QB ALA 25 + HG3 GLU 98 OK 37 71 100 52 4.1-5.6 10063/10060=27...(4) HG12 ILE 8 - HG3 GLU 63 poor 18 33 55 - 5.6-7.2 QB ALA 67 - HG3 GLU 63 poor 14 55 25 - 5.9-7.9 QB ALA 25 - HG3 GLU 23 far 5 99 5 - 6.2-7.4 HB2 LYS 82 - HG3 GLU 63 far 3 52 5 - 5.7-9.5 HB3 LEU 27 - HG3 GLU 23 far 0 97 0 - 7.3-8.9 HG2 ARG 30 - HG3 GLU 23 far 0 65 0 - 8.5-11.9 HG LEU 3 - HG3 GLU 98 far 0 48 0 - 9.2-10.9 QB ALA 89 - HG3 GLU 63 far 0 55 0 - 9.4-11.2 QB ALA 89 - HG3 GLU 23 far 0 99 0 - 9.5-10.7 HB3 LEU 27 - HG3 GLU 98 far 0 68 0 - 9.6-10.8 Violated in 3 structures by 0.00 A. Peak 10470 from cnoeabs.peaks (4.04, 2.27, 36.23 ppm; 3.46 A): 4 out of 13 assignments used, quality = 0.99: HA LYS 20 + HG2 GLU 23 OK 85 97 100 88 3.4-4.9 10471/1.8=37...(10) HA GLU 95 + HG2 GLU 95 OK 80 80 100 99 2.3-3.8 4308/1.8=59, 4.1=59...(12) HA GLU 16 + HG3 GLU 16 OK 48 48 100 100 2.6-3.8 689/1.8=64, 4.1=60...(23) HA GLU 17 + HG2 GLU 17 OK 48 49 100 99 2.6-3.8 3.9=67, 2.9/748=51...(14) HA GLU 17 - HG3 GLU 16 far 2 45 5 - 3.5-6.5 HA GLU 16 - HG2 GLU 17 far 0 53 0 - 5.2-7.2 HB3 SER 59 - HG2 GLU 63 far 0 57 0 - 5.8-7.6 HA GLU 16 - HG2 GLU 23 far 0 100 0 - 7.8-9.8 HA LYS 20 - HG3 GLU 16 far 0 45 0 - 8.2-10.2 HA LYS 20 - HG2 GLU 17 far 0 50 0 - 8.3-9.9 HB3 SER 59 - HG2 GLU 62 far 0 55 0 - 8.4-10.3 HA GLU 17 - HG2 GLU 23 far 0 96 0 - 8.7-10.3 HB3 SER 59 - HG3 GLU 62 far 0 55 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 10471 from cnoeabs.peaks (4.05, 2.49, 36.23 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.96: HA LYS 20 + HG3 GLU 23 OK 94 100 100 94 1.7-4.0 6358/1042=53, 856/2.9=41...(12) HA GLU 95 + HG3 GLU 98 OK 31 51 100 62 2.9-4.2 7583/7594=22...(6) HB3 SER 59 - HG3 GLU 63 poor 13 51 25 - 4.6-8.1 HA GLU 16 - HG3 GLU 23 far 0 100 0 - 7.0-8.2 HA GLU 17 - HG3 GLU 23 far 0 100 0 - 7.4-8.8 HA LYS 66 - HG3 GLU 63 far 0 41 0 - 7.8-9.5 Violated in 0 structures by 0.00 A. Peak 10472 from cnoeabs.peaks (1.57, 4.41, 51.21 ppm; 4.60 A): 2 out of 5 assignments used, quality = 1.00: HG2 LYS 24 + HA ALA 25 OK 98 98 100 100 3.4-5.0 ~6402=42, 8594=38...(31) HG LEU 27 + HA ALA 25 OK 86 87 100 99 4.4-5.4 6442/8605=48...(15) HD3 LYS 94 - HA ALA 25 poor 17 87 20 - 4.5-9.7 HB2 LEU 3 - HA ALA 25 far 0 91 0 - 7.7-9.3 HB3 LEU 29 - HA ALA 25 far 0 90 0 - 9.4-11.1 Violated in 0 structures by 0.00 A. Peak 10473 from cnoeabs.peaks (4.12, 1.34, 18.52 ppm; 4.92 A): 2 out of 3 assignments used, quality = 0.99: HA LYS 24 + QB ALA 25 OK 96 96 100 100 4.9-5.0 4.8=100 HA GLU 23 + QB ALA 25 OK 79 79 100 100 5.0-5.3 3.6/8607=69...(13) HA GLU 99 - QB ALA 25 far 0 100 0 - 8.5-9.7 Violated in 0 structures by 0.00 A. Peak 10474 from cnoeabs.peaks (4.10, 4.41, 51.21 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 24 + HA ALA 25 OK 100 100 100 100 4.6-4.8 4.8=100 Violated in 0 structures by 0.00 A. Peak 10475 from cnoeabs.peaks (4.67, 1.34, 18.52 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.91: HA LEU 27 + QB ALA 25 OK 91 92 100 99 4.8-5.4 ~8605=52, ~10489=50...(9) HA LEU 55 - QB ALA 25 far 0 100 0 - 9.8-10.6 Violated in 1 structures by 0.01 A. Peak 10476 from cnoeabs.peaks (8.25, 1.34, 18.52 ppm; 3.89 A): 4 out of 6 assignments used, quality = 1.00: H LEU 27 + QB ALA 25 OK 99 100 100 100 3.2-3.9 6419/6413=61...(17) H LYS 94 + QB ALA 25 OK 81 96 95 90 4.6-5.6 3.0/10334=38, 7515=38...(15) H GLU 23 + QB ALA 25 OK 75 81 100 93 4.4-5.3 4.6/8607=35...(17) H SER 97 + QB ALA 25 OK 69 73 100 94 4.1-4.8 4.1/10073=47...(12) H PHE 96 - QB ALA 25 far 0 65 0 - 5.4-6.3 H LEU 103 - QB ALA 25 far 0 59 0 - 9.3-15.1 Violated in 0 structures by 0.00 A. Peak 10477 from cnoeabs.peaks (7.71, 4.36, 54.31 ppm; 4.60 A): 1 out of 2 assignments used, quality = 1.00: H ALA 25 + HA ASN 26 OK 100 100 100 100 4.6-4.9 6409/6414=93...(12) H MET 21 - HA ASN 26 far 0 90 0 - 9.9-10.3 Violated in 20 structures by 0.13 A. Peak 10478 from cnoeabs.peaks (4.14, 4.36, 54.31 ppm; 4.42 A): 2 out of 2 assignments used, quality = 0.98: HA GLU 23 + HA ASN 26 OK 96 100 100 96 4.1-4.9 8637/6434=72...(7) HA LYS 24 + HA ASN 26 OK 51 59 95 91 4.9-5.9 3.6/10477=54, ~8606=33...(7) Violated in 0 structures by 0.00 A. Peak 10481 from cnoeabs.peaks (3.88, 3.07, 36.97 ppm; 6.12 A): 0 out of 2 assignments used, quality = 0.00: HA LYS 94 - HB3 ASN 26 far 0 98 0 - 8.2-9.7 HA2 GLY 100 - HB3 ASN 26 far 0 98 0 - 8.6-11.2 Violated in 20 structures by 2.01 A. Peak 10482 from cnoeabs.peaks (1.15, 1.46, 44.09 ppm; 5.02 A): 2 out of 3 assignments used, quality = 1.00: HB3 LEU 3 + HB2 LEU 27 OK 95 100 95 100 4.5-6.8 10133/3.1=85, ~10132=66...(19) HB2 LEU 29 + HB2 LEU 27 OK 94 100 100 95 4.2-6.2 10498/8633=41...(15) QG2 THR 31 - HB2 LEU 27 far 0 98 0 - 9.9-10.7 Violated in 7 structures by 0.06 A. Peak 10483 from cnoeabs.peaks (3.83, 1.60, 26.52 ppm; 4.91 A): 3 out of 6 assignments used, quality = 1.00: HA ALA 22 + HG LEU 27 OK 100 100 100 100 2.6-3.8 8638/6442=79...(20) HA SER 97 + HG LEU 27 OK 97 98 100 100 4.0-5.9 3.0/10077=63...(16) HA LYS 94 + HG LEU 27 OK 32 65 70 69 5.4-7.2 4349/10077=21...(10) HA ARG 19 - HG LEU 27 far 0 92 0 - 8.1-9.5 HA2 GLY 100 - HG LEU 27 far 0 65 0 - 8.2-10.9 HA2 GLY 101 - HG LEU 27 far 0 65 0 - 9.9-14.1 Violated in 0 structures by 0.00 A. Peak 10484 from cnoeabs.peaks (1.86, 0.77, 26.59 ppm; 4.76 A): 2 out of 8 assignments used, quality = 0.96: HB VAL 5 + QD1 LEU 27 OK 94 100 100 94 3.6-4.1 ~8634=46, ~8633=45...(16) HB2 LYS 53 + QD1 LEU 27 OK 41 92 55 80 5.4-6.8 9206/8644=50...(8) HB3 LYS 90 - QD1 LEU 27 far 0 82 0 - 7.0-9.2 HB VAL 54 - QD1 LEU 27 far 0 87 0 - 8.0-9.2 HB2 ARG 19 - QD1 LEU 27 far 0 75 0 - 8.4-10.2 HB3 LEU 57 - QD1 LEU 27 far 0 63 0 - 8.4-9.3 HB2 LYS 20 - QD1 LEU 27 far 0 81 0 - 8.6-10.6 HB3 GLU 104 - QD1 LEU 27 far 0 99 0 - 9.2-16.0 Violated in 0 structures by 0.00 A. Peak 10485 from cnoeabs.peaks (2.02, 0.77, 26.59 ppm; 5.37 A): 3 out of 9 assignments used, quality = 0.98: HG12 ILE 93 + QD1 LEU 27 OK 92 97 100 95 3.4-5.8 4.0/10140=45, ~1209=20...(20) HB2 MET 21 + QD1 LEU 27 OK 55 82 100 67 4.5-6.4 4.6/8567=24, 3.0/8566=17...(12) HB3 LYS 94 + QD1 LEU 27 OK 50 100 100 50 5.6-6.8 7531/10039=16...(6) HB2 GLU 99 - QD1 LEU 27 far 5 92 5 - 6.7-9.3 HB2 GLU 98 - QD1 LEU 27 far 0 91 0 - 6.9-7.8 HB3 GLU 99 - QD1 LEU 27 far 0 97 0 - 7.2-9.6 HB3 GLU 98 - QD1 LEU 27 far 0 92 0 - 7.6-8.4 HB3 MET 1 - QD1 LEU 27 far 0 91 0 - 8.6-11.0 HB3 GLU 17 - QD1 LEU 27 far 0 95 0 - 9.9-11.1 Violated in 0 structures by 0.00 A. Peak 10487 from cnoeabs.peaks (5.13, 0.77, 26.59 ppm; 5.52 A): 4 out of 5 assignments used, quality = 1.00: HA LEU 3 + QD1 LEU 27 OK 100 100 100 100 4.6-5.9 ~10132=74, 97/10135=71...(18) HA TYR 4 + QD1 LEU 27 OK 97 99 100 97 3.8-4.7 8655/1227=59...(14) HA VAL 5 + QD1 LEU 27 OK 77 79 100 98 4.6-5.4 3.0/10484=57, ~8634=48...(15) HA VAL 54 + QD1 LEU 27 OK 72 87 100 83 5.5-6.6 9220/8644=49...(10) HA ILE 7 - QD1 LEU 27 far 0 100 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 10488 from cnoeabs.peaks (5.13, 0.73, 25.25 ppm; 4.70 A): 4 out of 4 assignments used, quality = 1.00: HA LEU 3 + QD2 LEU 27 OK 100 100 100 100 3.7-4.3 3.0/10132=88...(17) HA TYR 4 + QD2 LEU 27 OK 93 98 100 95 3.0-4.8 8655/1219=44...(14) HA VAL 5 + QD2 LEU 27 OK 40 87 50 91 5.6-6.9 ~8634=34, ~8633=34...(15) HA VAL 54 + QD2 LEU 27 OK 36 79 65 70 5.5-6.7 9220/8646=37...(10) Violated in 0 structures by 0.00 A. Peak 10490 from cnoeabs.peaks (8.93, 1.56, 30.51 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.98: H VAL 5 + HB3 GLU 28 OK 98 99 100 100 4.2-5.3 8188/1.8=78, 146/8657=72...(9) Violated in 4 structures by 0.03 A. Peak 10491 from cnoeabs.peaks (5.68, 4.31, 55.46 ppm; 5.06 A): 1 out of 1 assignment used, quality = 0.97: HA LEU 29 + HA GLU 28 OK 97 97 100 100 4.4-4.5 2.9/6462=98, 2.9/8662=68...(11) Violated in 0 structures by 0.00 A. Peak 10496 from cnoeabs.peaks (0.74, 1.16, 44.91 ppm; 4.95 A): 5 out of 16 assignments used, quality = 1.00: QG1 VAL 5 + HB2 LEU 29 OK 94 94 100 100 2.9-4.6 2.1/8191=85, 8174/2.9=69...(28) QG2 ILE 93 + HB2 LEU 29 OK 92 100 100 92 4.2-6.0 10322/10498=44...(17) QD1 LEU 27 + HB2 LEU 29 OK 75 87 95 91 4.3-7.0 3.1/10482=32...(12) QD1 ILE 93 + HB2 LEU 29 OK 72 85 100 85 3.2-4.9 10327/8577=34...(15) HG13 ILE 93 + HB2 LEU 29 OK 23 100 30 76 4.8-8.0 ~10327=23...(14) QD1 LEU 6 - HB2 LEU 29 far 4 84 5 - 5.4-8.2 QD2 LEU 27 - HB2 LEU 29 far 0 96 0 - 6.5-8.2 QG1 VAL 54 - HB2 LEU 29 far 0 95 0 - 6.6-8.5 QD1 ILE 56 - HB2 LEU 29 far 0 63 0 - 7.2-11.2 QD2 LEU 14 - HB2 LEU 29 far 0 65 0 - 7.5-8.7 HG13 ILE 15 - HB2 LEU 29 far 0 99 0 - 8.3-9.7 QD1 ILE 15 - HB2 LEU 29 far 0 96 0 - 8.7-9.8 QD1 ILE 8 - HB2 LEU 29 far 0 68 0 - 9.3-11.2 QD2 LEU 42 - HB2 LEU 29 far 0 90 0 - 9.5-10.9 QG1 VAL 58 - HB2 LEU 29 far 0 87 0 - 9.7-11.6 HG13 ILE 56 - HB2 LEU 29 far 0 77 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 10497 from cnoeabs.peaks (0.74, 1.60, 44.91 ppm; 5.05 A): 6 out of 16 assignments used, quality = 1.00: QG1 VAL 5 + HB3 LEU 29 OK 94 94 100 100 2.7-5.0 8174/2.9=71, ~8191=67...(31) QG2 ILE 93 + HB3 LEU 29 OK 90 100 100 90 3.9-5.7 10496/1.8=21, ~10327=18...(22) QD1 LEU 27 + HB3 LEU 29 OK 77 87 100 89 4.3-6.2 3.1/1192=33, ~10482=24...(14) QD1 ILE 93 + HB3 LEU 29 OK 77 85 100 90 3.1-5.3 10327/3.0=28...(20) HG13 ILE 93 + HB3 LEU 29 OK 59 100 85 69 3.8-8.0 ~10327=23, ~10501=15...(13) QD2 LEU 27 + HB3 LEU 29 OK 34 96 40 87 6.4-7.8 3.1/1192=33, ~10482=24...(13) QG1 VAL 54 - HB3 LEU 29 far 5 95 5 - 6.4-8.6 QD1 LEU 6 - HB3 LEU 29 far 4 84 5 - 5.2-8.1 QD1 ILE 56 - HB3 LEU 29 far 0 63 0 - 6.7-10.2 QD2 LEU 14 - HB3 LEU 29 far 0 65 0 - 7.6-8.6 HG13 ILE 15 - HB3 LEU 29 far 0 99 0 - 8.4-10.0 HG13 ILE 56 - HB3 LEU 29 far 0 77 0 - 8.6-12.8 QD1 ILE 15 - HB3 LEU 29 far 0 96 0 - 8.8-10.1 QD1 ILE 8 - HB3 LEU 29 far 0 68 0 - 8.9-11.3 QD2 LEU 42 - HB3 LEU 29 far 0 90 0 - 9.3-10.9 QG1 VAL 58 - HB3 LEU 29 far 0 87 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10498 from cnoeabs.peaks (0.94, 1.16, 44.91 ppm; 6.03 A): 1 out of 3 assignments used, quality = 0.99: QG2 VAL 5 + HB2 LEU 29 OK 99 99 100 100 3.7-5.4 2.1/8191=97, 8175/2.9=91...(28) HG LEU 55 - HB2 LEU 29 far 4 84 5 - 7.5-9.9 QG2 VAL 83 - HB2 LEU 29 far 0 85 0 - 8.6-10.4 Violated in 0 structures by 0.00 A. Peak 10499 from cnoeabs.peaks (1.74, 0.65, 26.64 ppm; 4.73 A): 2 out of 9 assignments used, quality = 0.97: HG3 ARG 19 + QD1 LEU 29 OK 96 96 100 100 1.8-5.1 8673/2.1=85, 1.8/8518=51...(30) HB ILE 15 + QD1 LEU 29 OK 26 96 30 90 5.4-7.2 3.0/8689=48, ~10501=21...(16) HB2 GLU 28 - QD1 LEU 29 far 0 100 0 - 6.5-7.6 HB ILE 56 - QD1 LEU 29 far 0 93 0 - 6.7-9.8 HD2 LYS 90 - QD1 LEU 29 far 0 100 0 - 6.8-10.3 HD3 LYS 33 - QD1 LEU 29 far 0 92 0 - 7.9-9.9 HB VAL 78 - QD1 LEU 29 far 0 65 0 - 8.4-11.3 HD2 LYS 33 - QD1 LEU 29 far 0 92 0 - 8.6-11.0 HB3 GLU 63 - QD1 LEU 29 far 0 70 0 - 9.4-11.7 Violated in 5 structures by 0.04 A. Peak 10500 from cnoeabs.peaks (0.94, 0.65, 26.64 ppm; 3.88 A): 1 out of 6 assignments used, quality = 0.74: QG2 VAL 5 + QD1 LEU 29 OK 74 100 75 99 3.4-5.5 2.1/8671=52...(26) HG LEU 55 - QD1 LEU 29 poor 8 90 45 21 5.0-8.2 4.7/10504=9, 165/8193=7...(4) QG2 VAL 83 - QD1 LEU 29 far 0 91 0 - 5.9-7.6 QG1 VAL 32 - QD1 LEU 29 far 0 65 0 - 6.8-8.7 QG2 THR 80 - QD1 LEU 29 far 0 61 0 - 7.2-10.0 HB2 ARG 81 - QD1 LEU 29 far 0 99 0 - 8.0-12.4 Violated in 12 structures by 0.48 A. Peak 10501 from cnoeabs.peaks (0.80, 0.64, 24.70 ppm; 3.03 A): 3 out of 18 assignments used, quality = 0.99: QG2 ILE 7 + QD2 LEU 29 OK 95 100 100 95 3.1-3.9 255=29, 253/2.1=20...(38) QG2 ILE 15 + QD2 LEU 29 OK 64 97 80 82 2.9-4.6 8519/8673=16...(26) QD1 ILE 93 + QD2 LEU 29 OK 53 84 100 63 2.3-4.5 10327/2.1=14...(18) QD1 LEU 6 - QD2 LEU 29 far 13 85 15 - 3.0-7.0 QD2 LEU 57 - QD2 LEU 29 poor 10 100 40 26 3.1-6.2 ~8671=5, 226/8684=4...(10) QD1 LEU 27 - QD2 LEU 29 far 0 82 0 - 4.8-6.5 QG1 VAL 54 - QD2 LEU 29 far 0 70 0 - 4.9-7.6 QG2 VAL 32 - QD2 LEU 29 far 0 65 0 - 5.0-6.7 QD1 LEU 57 - QD2 LEU 29 far 0 73 0 - 5.3-7.4 QD1 ILE 15 - QD2 LEU 29 far 0 65 0 - 5.5-6.6 QD2 LEU 42 - QD2 LEU 29 far 0 79 0 - 6.8-9.4 QD2 LEU 38 - QD2 LEU 29 far 0 82 0 - 7.0-10.4 QG2 ILE 8 - QD2 LEU 29 far 0 99 0 - 7.2-8.3 QD2 LEU 103 - QD2 LEU 29 far 0 75 0 - 7.8-15.7 QD2 LEU 2 - QD2 LEU 29 far 0 98 0 - 8.7-12.5 QG2 ILE 52 - QD2 LEU 29 far 0 95 0 - 9.7-13.3 QD1 LEU 70 - QD2 LEU 29 far 0 92 0 - 9.8-14.0 QD1 ILE 76 - QD2 LEU 29 far 0 100 0 - 9.8-12.6 Violated in 1 structures by 0.00 A. Peak 10502 from cnoeabs.peaks (3.81, 1.44, 27.00 ppm; 5.13 A): 4 out of 9 assignments used, quality = 1.00: HA ARG 19 + HG LEU 29 OK 100 100 100 100 2.0-3.8 8688/2.1=59, 8685/2.1=55...(31) HA ALA 71 + HG13 ILE 76 OK 51 51 100 100 4.9-6.1 9648/3.0=63, 9649/4.5=50...(22) HA ALA 22 + HG LEU 29 OK 43 96 45 100 5.8-8.0 ~8577=60, ~1299=40...(21) HA ALA 18 + HG LEU 29 OK 30 68 45 99 3.6-7.0 ~8672=64, 8685/2.1=40...(19) HA LYS 68 - HG LEU 38 poor 6 73 35 22 5.9-9.0 ~9530=9, 4.8/1643=5...(5) HA ALA 71 - HG LEU 38 far 2 42 5 - 6.1-8.7 HA ALA 18 - HG3 ARG 91 far 0 44 0 - 6.7-8.5 HA SER 97 - HG13 ILE 52 far 0 66 0 - 9.1-13.4 HA ALA 71 - HG13 ILE 52 far 0 38 0 - 9.5-12.8 Violated in 0 structures by 0.00 A. Peak 10503 from cnoeabs.peaks (8.29, 0.65, 26.64 ppm; 6.01 A): 1 out of 2 assignments used, quality = 0.93: H GLU 23 + QD1 LEU 29 OK 93 98 100 95 4.8-6.6 6354/8690=55...(11) H LYS 94 - QD1 LEU 29 far 9 85 10 - 6.9-9.9 Violated in 12 structures by 0.23 A. Peak 10504 from cnoeabs.peaks (8.65, 0.65, 26.64 ppm; 5.72 A): 2 out of 4 assignments used, quality = 1.00: H ALA 18 + QD1 LEU 29 OK 100 100 100 100 4.2-6.0 2.9/8672=80...(22) H LEU 55 + QD1 LEU 29 OK 57 97 70 83 5.4-8.3 12108/10500=56...(8) H ASP 11 - QD1 LEU 29 far 0 88 0 - 9.2-10.1 H ASN 10 - QD1 LEU 29 far 0 99 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 10506 from cnoeabs.peaks (7.79, 2.67, 42.61 ppm; 4.68 A): 1 out of 3 assignments used, quality = 1.00: HE ARG 30 + HD2 ARG 30 OK 100 100 100 100 2.3-2.9 2.9=100 H TYR 41 - HD2 ARG 30 far 8 77 10 - 6.0-8.8 H GLU 28 - HD2 ARG 30 far 0 100 0 - 7.2-9.6 Violated in 0 structures by 0.00 A. Peak 10507 from cnoeabs.peaks (7.79, 3.08, 42.61 ppm; 4.86 A): 1 out of 3 assignments used, quality = 1.00: HE ARG 30 + HD3 ARG 30 OK 100 100 100 100 2.3-2.9 2.9=100 H TYR 41 - HD3 ARG 30 far 12 77 15 - 5.9-9.3 H GLU 28 - HD3 ARG 30 far 0 100 0 - 7.7-10.1 Violated in 0 structures by 0.00 A. Peak 10508 from cnoeabs.peaks (7.81, 1.29, 26.44 ppm; 5.39 A): 2 out of 3 assignments used, quality = 0.95: HE ARG 30 + HG2 ARG 30 OK 88 88 100 100 2.2-4.0 4.0=100 H GLU 28 + HG2 ARG 30 OK 55 97 70 81 6.3-7.5 4.5/8665=49...(7) H TYR 41 - HG2 ARG 30 poor 20 99 20 - 6.6-8.4 Violated in 0 structures by 0.00 A. Peak 10509 from cnoeabs.peaks (7.83, 1.60, 32.55 ppm; 6.21 A): 1 out of 3 assignments used, quality = 0.81: H TYR 41 + HB2 ARG 30 OK 81 100 90 90 6.5-7.9 6.6/8906=49, 4.6/8697=37...(6) H GLU 28 - HB2 ARG 30 far 7 73 10 - 7.4-9.1 H SER 9 - HB2 ARG 30 far 0 93 0 - 9.3-10.6 Violated in 20 structures by 0.92 A. Peak 10511 from cnoeabs.peaks (2.06, 1.29, 26.44 ppm; 5.82 A): 2 out of 5 assignments used, quality = 0.87: HG2 GLU 28 + HG2 ARG 30 OK 77 100 95 81 5.3-7.4 5.0/8665=52...(7) HG3 GLU 28 + HG2 ARG 30 OK 44 100 55 81 6.2-7.8 5.0/8665=52...(7) HB3 LEU 38 - HG2 ARG 30 far 0 99 0 - 8.5-11.8 HG12 ILE 93 - HG2 ARG 30 far 0 82 0 - 9.4-12.0 HB3 GLU 43 - HG2 ARG 30 far 0 100 0 - 9.7-12.8 Violated in 14 structures by 0.31 A. Peak 10515 from cnoeabs.peaks (7.81, 1.14, 22.10 ppm; 5.38 A): 1 out of 5 assignments used, quality = 1.00: H SER 9 + QG2 THR 31 OK 100 100 100 100 3.3-4.9 8314=100, 8337/2.1=75...(15) HE ARG 30 - QG2 THR 31 poor 14 88 30 53 4.1-8.4 7.4/8742=26, 6.5/1385=20...(4) H LYS 20 - QG2 THR 31 far 0 92 0 - 7.0-7.8 H TYR 41 - QG2 THR 31 far 0 99 0 - 9.4-10.2 H GLU 28 - QG2 THR 31 far 0 97 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 10518 from cnoeabs.peaks (0.71, 1.94, 34.49 ppm; 4.08 A): 2 out of 25 assignments used, quality = 1.00: QD1 ILE 8 + HB VAL 32 OK 100 100 100 100 1.9-3.4 12200=100, 2.1/12204=77...(25) QG1 VAL 58 + HB VAL 32 OK 79 100 100 79 4.4-5.5 311/12204=30...(11) QD1 ILE 56 - HB VAL 32 far 5 99 5 - 4.1-7.9 QD2 LEU 6 - HB VAL 32 far 4 79 5 - 4.7-6.9 HG13 ILE 56 - HB VAL 32 far 0 100 0 - 5.9-8.5 QD1 LEU 42 - HB VAL 32 far 0 82 0 - 6.6-8.1 QD1 ILE 8 - HB3 LYS 33 far 0 65 0 - 6.7-8.5 QD1 ILE 8 - HB2 LYS 33 far 0 70 0 - 6.8-8.4 QG2 VAL 58 - HB VAL 32 far 0 57 0 - 6.9-8.0 HG13 ILE 15 - HB VAL 32 far 0 59 0 - 7.4-8.3 QD2 LEU 14 - HB VAL 32 far 0 100 0 - 7.7-8.8 HG13 ILE 15 - HB2 LYS 33 far 0 35 0 - 8.5-9.6 QG1 VAL 5 - HB VAL 32 far 0 99 0 - 8.5-9.3 QG1 VAL 58 - HB2 LYS 33 far 0 70 0 - 8.6-9.8 QD1 LEU 64 - HB VAL 32 far 0 84 0 - 8.7-10.3 QD1 ILE 56 - HB3 LYS 33 far 0 64 0 - 8.9-12.9 QG1 VAL 58 - HB3 LYS 33 far 0 65 0 - 8.9-9.9 QG2 VAL 78 - HB VAL 32 far 0 100 0 - 9.0-10.2 QD2 LEU 6 - HB3 LYS 33 far 0 45 0 - 9.1-11.1 QD1 ILE 56 - HB2 LYS 33 far 0 69 0 - 9.2-13.2 QD1 LEU 14 - HB VAL 32 far 0 61 0 - 9.4-10.6 QD2 LEU 14 - HB2 LYS 33 far 0 69 0 - 9.4-10.6 QD2 LEU 6 - HB2 LYS 33 far 0 49 0 - 9.5-11.1 HG13 ILE 15 - HB3 LYS 33 far 0 32 0 - 9.7-10.7 QG1 VAL 78 - HB VAL 32 far 0 77 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 10519 from cnoeabs.peaks (0.91, 4.53, 56.85 ppm; 4.29 A): 2 out of 3 assignments used, quality = 1.00: QG1 VAL 32 + HA LYS 33 OK 100 100 100 100 3.8-4.5 1406/3.0=73, 8749/3.6=71...(20) HG13 ILE 8 + HA LYS 33 OK 42 91 85 55 4.5-7.2 6517/3.0=16...(7) HG13 ILE 7 - HA LYS 33 far 0 96 0 - 9.3-10.3 Violated in 0 structures by 0.00 A. Peak 10522 from cnoeabs.peaks (1.17, 1.55, 24.85 ppm; 4.39 A): 1 out of 4 assignments used, quality = 0.99: QG2 THR 34 + HG2 LYS 33 OK 99 100 100 99 3.6-4.1 6542/6534=56...(12) QG2 THR 31 - HG2 LYS 33 far 0 82 0 - 6.4-7.3 HG2 LYS 40 - HG2 LYS 33 far 0 99 0 - 9.7-12.9 HB2 LEU 6 - HG2 LYS 33 far 0 98 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10523 from cnoeabs.peaks (-0.17, 1.72, 28.64 ppm; 5.77 A): 0 out of 0 assignments used, quality = 0.00: Peak 10524 from cnoeabs.peaks (8.19, 4.59, 73.02 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: H ASP 36 + HB THR 34 OK 100 100 100 100 3.3-4.1 8794=97, 8782/2.1=58...(8) Violated in 3 structures by 0.05 A. Peak 10525 from cnoeabs.peaks (7.74, 4.59, 73.02 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: H GLU 37 + HB THR 34 OK 100 100 100 100 4.2-4.8 6565/8794=90...(9) Violated in 0 structures by 0.00 A. Peak 10526 from cnoeabs.peaks (0.81, 2.19, 36.31 ppm; 3.34 A): 5 out of 27 assignments used, quality = 0.99: QD1 LEU 70 + HG3 GLU 35 OK 75 96 100 78 1.9-3.5 9549/2.9=14, 2.1/3835=14...(27) QD1 LEU 70 + HG2 GLU 35 OK 75 96 100 78 1.9-4.2 9549/2.9=14, 9548=13...(28) QD2 LEU 70 + HG3 GLU 35 OK 74 96 100 76 2.0-4.6 2.1/3835=14, 9541/4.1=13...(28) QD2 LEU 70 + HG2 GLU 35 OK 58 96 80 76 2.0-5.7 9541/4.1=13, 2.1/9548=12...(28) QD2 LEU 38 + HG3 GLU 35 OK 20 94 30 73 2.9-7.8 1653/2.9=12...(22) QD2 LEU 38 - HG2 GLU 35 poor 17 94 25 71 3.5-7.2 1653/2.9=12...(19) QD1 ILE 76 - HG2 GLU 43 poor 16 99 25 66 2.8-5.9 10881/11072=16...(13) QD1 ILE 76 - HG3 GLU 75 far 0 46 0 - 5.9-6.8 QD1 LEU 70 - HG2 GLU 43 far 0 100 0 - 6.0-7.6 QD2 LEU 70 - HG2 GLU 43 far 0 100 0 - 6.0-8.9 QD1 ILE 76 - HG2 GLU 75 far 0 44 0 - 6.1-7.7 QG2 ILE 8 - HG3 GLU 35 far 0 79 0 - 6.8-9.8 QG2 VAL 32 - HG3 GLU 35 far 0 86 0 - 7.3-9.6 QG2 VAL 32 - HG2 GLU 35 far 0 86 0 - 7.7-8.9 QD2 LEU 38 - HG2 GLU 43 far 0 99 0 - 7.9-9.8 QG2 ILE 8 - HG2 GLU 35 far 0 79 0 - 7.9-9.4 QD2 LEU 103 - HG2 GLU 98 far 0 38 0 - 7.9-14.4 QD1 ILE 76 - HG2 GLU 35 far 0 94 0 - 8.8-12.2 QG2 ILE 52 - HG3 GLU 75 far 0 29 0 - 8.8-12.8 QG2 VAL 32 - HG2 GLU 43 far 0 92 0 - 8.8-9.9 QD2 LEU 70 - HG3 GLU 75 far 0 49 0 - 8.9-10.0 QD1 ILE 76 - HG3 GLU 35 far 0 94 0 - 8.9-11.5 QG2 ILE 52 - HG2 GLU 43 far 0 71 0 - 9.0-11.9 QD2 LEU 70 - HG2 GLU 75 far 0 46 0 - 9.0-11.1 QG2 ILE 52 - HG2 GLU 75 far 0 27 0 - 9.1-12.9 QD1 LEU 70 - HG3 GLU 75 far 0 49 0 - 9.1-10.5 QD1 LEU 70 - HG2 GLU 75 far 0 46 0 - 9.8-11.7 Violated in 0 structures by 0.00 A. Peak 10527 from cnoeabs.peaks (0.80, 2.08, 29.38 ppm; 4.01 A): 5 out of 24 assignments used, quality = 1.00: QD2 LEU 70 + HB3 GLU 35 OK 93 99 100 94 1.9-4.6 9541/3.0=24, 10278=22...(32) QD1 LEU 70 + HB3 GLU 35 OK 88 94 100 94 1.9-3.9 9549/1.8=24...(28) QG2 ILE 15 + HB2 GLU 16 OK 85 89 100 95 4.2-5.5 8530/3.0=61, 660/6237=58...(12) QD2 LEU 38 + HB3 GLU 35 OK 74 85 90 96 3.6-6.4 3.1/1629=24, 2.1/1661=24...(33) QD1 ILE 76 + HB3 GLU 43 OK 71 85 100 83 4.3-5.4 9668/3.0=18, 8516/1.8=18...(18) QD1 ILE 15 - HB2 GLU 16 far 3 52 5 - 5.4-7.0 QD2 LEU 42 - HB3 GLU 43 far 0 57 0 - 6.3-7.5 QG2 ILE 8 - HB3 GLU 35 far 0 99 0 - 6.5-8.5 QD1 ILE 93 - HB2 GLU 23 far 0 65 0 - 6.6-9.0 QD1 LEU 27 - HB2 GLU 23 far 0 63 0 - 6.9-8.3 QG2 ILE 7 - HB2 GLU 16 far 0 93 0 - 7.0-8.2 QD2 LEU 70 - HB3 GLU 43 far 0 82 0 - 7.3-10.4 QD2 LEU 42 - HB3 GLU 35 far 0 75 0 - 7.4-10.2 QG2 VAL 32 - HB3 GLU 35 far 0 70 0 - 7.5-8.4 QD1 LEU 70 - HB3 GLU 43 far 0 75 0 - 7.6-9.1 QD1 LEU 6 - HB3 GLU 43 far 0 64 0 - 7.7-9.2 QD1 ILE 93 - HB2 GLU 16 far 0 70 0 - 7.8-9.3 QG1 VAL 54 - HB3 GLU 43 far 0 49 0 - 8.0-9.4 QG2 ILE 52 - HB3 GLU 43 far 0 74 0 - 8.2-10.5 QD2 LEU 38 - HB3 GLU 43 far 0 67 0 - 8.3-11.1 QD1 LEU 6 - HB3 GLU 35 far 0 82 0 - 8.3-11.4 QG2 VAL 32 - HB3 GLU 43 far 0 53 0 - 8.9-10.8 QG2 ILE 15 - HB2 GLU 23 far 0 84 0 - 9.0-10.9 QD1 ILE 76 - HB3 GLU 35 far 0 100 0 - 9.1-11.8 Violated in 0 structures by 0.00 A. Peak 10528 from cnoeabs.peaks (2.88, 2.20, 36.41 ppm; 3.98 A): 7 out of 12 assignments used, quality = 0.95: HE3 LYS 66 + HG3 GLU 35 OK 48 95 65 78 2.0-8.5 2.9/12289=24, ~12289=14...(23) HE2 LYS 66 + HG3 GLU 35 OK 42 99 55 78 2.4-8.8 2.9/12289=24, ~12289=14...(23) HE3 LYS 66 + HG2 GLU 35 OK 40 95 55 76 3.7-8.7 2.9/12289=20, ~12289=17...(21) HE2 LYS 66 + HG2 GLU 35 OK 30 99 40 76 3.7-9.0 2.9/12289=20, ~12289=17...(21) HE2 LYS 39 + HG2 GLU 43 OK 28 92 55 55 3.4-7.9 3.5/10575=19...(8) HE3 LYS 39 + HG2 GLU 43 OK 26 96 50 55 3.2-7.8 3.5/10575=19...(8) HE2 LYS 39 + HG2 GLU 35 OK 22 98 35 64 2.3-8.3 3.0/10533=11...(16) HE2 LYS 39 - HG3 GLU 35 poor 19 98 30 65 2.1-9.4 3.5/10575=11...(16) HE3 LYS 39 - HG3 GLU 35 poor 16 100 25 65 2.7-9.1 3.5/10575=11...(16) HE3 LYS 39 - HG2 GLU 35 poor 16 100 25 64 3.4-8.3 3.0/10533=11...(16) HE2 LYS 39 - HG3 GLU 75 far 0 49 0 - 9.5-14.2 HE3 LYS 39 - HG3 GLU 75 far 0 52 0 - 9.9-14.0 Violated in 4 structures by 0.12 A. Peak 10529 from cnoeabs.peaks (2.92, 2.12, 29.31 ppm; 5.11 A): 7 out of 12 assignments used, quality = 0.97: HE3 LYS 66 + HB2 GLU 69 OK 68 86 95 83 3.7-6.8 2.9/10802=27...(17) HE2 LYS 66 + HB2 GLU 69 OK 50 77 80 82 3.9-7.4 2.9/10802=27...(17) HE3 LYS 66 + HB3 GLU 69 OK 31 86 55 66 4.4-8.3 ~10802=20, ~10797=12...(13) HE2 LYS 66 + HB3 GLU 69 OK 28 77 55 65 3.3-8.8 ~10802=20, ~10797=12...(13) HE3 LYS 73 + HB3 GLU 69 OK 27 87 95 32 3.2-7.0 10818/10816=11...(7) HE3 LYS 73 + HB2 GLU 69 OK 23 87 85 31 4.3-7.1 10818/10816=11, ~10802=7...(7) HE2 LYS 73 + HB3 GLU 69 OK 23 80 90 32 4.7-7.5 10818/10816=11...(7) HE2 LYS 73 - HB2 GLU 69 poor 10 80 40 30 4.8-8.0 10818/10816=11, ~10802=7...(7) HE2 LYS 68 - HB2 GLU 69 far 10 95 10 - 6.2-9.5 HE2 LYS 68 - HB3 GLU 69 far 5 95 5 - 5.9-9.6 HE3 LYS 68 - HB3 GLU 69 far 5 94 5 - 5.8-9.1 HE3 LYS 68 - HB2 GLU 69 far 5 94 5 - 5.9-9.0 Violated in 0 structures by 0.00 A. Peak 10530 from cnoeabs.peaks (2.91, 2.07, 29.31 ppm; 4.93 A): 4 out of 19 assignments used, quality = 1.00: HE3 LYS 66 + HB3 GLU 35 OK 91 97 100 94 2.0-6.2 2.9/12058=23, ~12289=21...(28) HE2 LYS 66 + HB3 GLU 35 OK 79 94 90 94 2.0-6.9 2.9/12058=23, ~12289=21...(28) HE2 LYS 20 + HB2 GLU 16 OK 76 98 90 85 3.6-7.0 3.0/12146=26...(24) HE3 LYS 20 + HB2 GLU 16 OK 71 98 85 86 3.0-7.4 3.0/12146=26...(25) HE3 LYS 39 - HB3 GLU 35 poor 17 70 25 - 5.0-9.3 HE2 LYS 39 - HB3 GLU 35 poor 14 58 25 - 4.1-8.9 HE3 LYS 39 - HB3 GLU 43 poor 14 68 20 - 5.2-10.0 HE2 LYS 39 - HB3 GLU 43 poor 11 56 20 - 5.6-9.9 HE2 LYS 20 - HB2 GLU 23 far 9 88 10 - 5.4-9.4 HE3 LYS 20 - HB2 GLU 23 far 9 88 10 - 5.5-9.4 HE3 LYS 90 - HB2 GLU 16 far 0 78 0 - 6.5-10.5 HE3 LYS 73 - HB3 GLU 35 far 0 60 0 - 7.3-10.6 HE3 LYS 94 - HB2 GLU 98 far 0 60 0 - 7.7-11.0 HE2 LYS 94 - HB2 GLU 98 far 0 57 0 - 7.8-10.7 HG2 MET 21 - HB2 GLU 23 far 0 60 0 - 8.1-10.3 HE3 LYS 94 - HB3 GLU 98 far 0 57 0 - 8.1-11.7 HE2 LYS 94 - HB3 GLU 98 far 0 54 0 - 8.5-12.0 HG2 MET 21 - HB2 GLU 16 far 0 71 0 - 9.0-11.0 HE2 LYS 94 - HB2 GLU 23 far 0 85 0 - 9.4-15.0 Violated in 0 structures by 0.00 A. Peak 10531 from cnoeabs.peaks (1.33, 2.19, 36.31 ppm; 4.45 A): 4 out of 20 assignments used, quality = 0.98: HG2 LYS 39 + HG2 GLU 43 OK 83 96 90 96 3.4-6.0 ~10574=45, ~10604=37...(19) HG3 LYS 40 + HG2 GLU 43 OK 58 77 95 79 3.6-7.6 4.9/1983=18...(11) HG2 LYS 39 + HG2 GLU 35 OK 50 90 60 92 4.5-8.1 3.0/10576=18...(26) HG2 LYS 39 + HG3 GLU 35 OK 45 90 55 92 4.0-7.7 3.0/10576=18...(25) QB ALA 25 - HG2 GLU 98 poor 16 40 85 48 4.3-6.5 10465/1.8=32...(3) QB ALA 67 - HG2 GLU 35 far 14 95 15 - 5.5-8.4 HG2 LYS 94 - HG2 GLU 98 poor 14 40 35 - 4.0-8.1 HB3 LEU 42 - HG2 GLU 43 far 4 84 5 - 4.7-6.9 QB ALA 67 - HG3 GLU 35 lone 3 95 25 15 4.8-8.4 9526/9548=3, 9526/9548=3...(6) HB3 LEU 42 - HG3 GLU 75 far 0 35 0 - 8.7-9.9 QB ALA 67 - HG2 GLU 43 far 0 99 0 - 8.7-10.4 HG LEU 3 - HG2 GLU 98 far 0 27 0 - 8.8-11.1 HB3 LEU 42 - HG2 GLU 75 far 0 33 0 - 8.9-10.9 HG2 LYS 39 - HG3 GLU 75 far 0 43 0 - 9.0-13.7 HG12 ILE 8 - HG3 GLU 35 far 0 64 0 - 9.4-13.2 HG3 LYS 40 - HG3 GLU 35 far 0 71 0 - 9.5-12.5 HG3 LYS 40 - HG2 GLU 35 far 0 71 0 - 9.5-11.4 HB3 LEU 42 - HG3 GLU 35 far 0 78 0 - 9.6-12.9 HB3 LEU 42 - HG2 GLU 35 far 0 78 0 - 9.8-13.1 HB3 LEU 27 - HG2 GLU 98 far 0 38 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 10532 from cnoeabs.peaks (1.45, 2.19, 36.31 ppm; 3.88 A): 7 out of 26 assignments used, quality = 0.98: HG3 LYS 39 + HG2 GLU 43 OK 63 99 70 91 2.3-7.0 10574/1.8=39, 10575=23...(20) HB2 LEU 38 + HG3 GLU 35 OK 50 96 60 86 3.3-8.9 1629/2.9=25...(26) HB2 LEU 38 + HG2 GLU 35 OK 46 96 55 86 3.3-8.5 1629/2.9=25...(26) HG LEU 38 + HG3 GLU 35 OK 39 96 50 81 4.0-8.0 1645/2.9=17...(24) HD2 LYS 40 + HG2 GLU 43 OK 32 98 55 59 4.5-7.7 3.5/10533=12...(13) HG3 LYS 39 + HG3 GLU 35 OK 28 94 35 84 3.1-8.6 3.0/10576=14, 10575=13...(25) HG LEU 38 + HG2 GLU 35 OK 23 96 30 81 4.2-8.6 1645/2.9=17...(23) HG3 LYS 39 - HG2 GLU 35 poor 19 94 20 - 2.8-8.1 HG2 LYS 66 - HG3 GLU 35 poor 13 54 25 - 4.9-9.4 HD3 LYS 40 - HG2 GLU 43 far 10 98 10 - 5.1-8.1 HG2 LYS 66 - HG2 GLU 35 far 5 54 10 - 5.3-9.8 HG13 ILE 76 - HG2 GLU 43 far 0 96 0 - 5.4-8.6 HG13 ILE 76 - HG3 GLU 75 far 0 43 0 - 6.0-7.3 HG13 ILE 76 - HG2 GLU 75 far 0 41 0 - 6.6-8.1 HG2 LYS 47 - HG2 GLU 43 far 0 59 0 - 6.9-10.5 HG LEU 38 - HG2 GLU 43 far 0 100 0 - 8.0-10.8 HD3 LYS 40 - HG3 GLU 35 far 0 92 0 - 8.2-12.7 HB2 LEU 38 - HG2 GLU 43 far 0 100 0 - 8.3-9.3 HD3 LYS 40 - HG2 GLU 35 far 0 92 0 - 8.3-12.1 QB ALA 22 - HG2 GLU 98 far 0 37 0 - 9.0-10.9 HG LEU 64 - HG3 GLU 35 far 0 74 0 - 9.3-14.7 HD2 LYS 40 - HG3 GLU 35 far 0 93 0 - 9.4-12.8 HD2 LYS 40 - HG2 GLU 35 far 0 93 0 - 9.5-11.6 HG13 ILE 52 - HG2 GLU 43 far 0 100 0 - 9.9-14.1 HG3 LYS 53 - HG2 GLU 98 far 0 37 0 - 9.9-13.1 HB2 LEU 27 - HG2 GLU 98 far 0 42 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 10533 from cnoeabs.peaks (1.64, 2.19, 36.31 ppm; 4.01 A): 6 out of 29 assignments used, quality = 1.00: HB2 LYS 40 + HG2 GLU 43 OK 83 100 90 92 4.2-6.7 4.1/1983=18, ~1956=17...(28) HD2 LYS 39 + HG2 GLU 35 OK 71 93 95 80 2.7-5.8 10578=16, 3.6/10576=13...(21) HD2 LYS 39 + HG3 GLU 35 OK 55 93 75 79 2.0-7.1 10578=14, 10578/1.8=14...(20) HD3 LYS 39 + HG3 GLU 35 OK 54 97 70 80 2.8-7.3 10578=13, 3.6/10576=13...(21) HD3 LYS 39 + HG2 GLU 35 OK 47 97 60 81 3.4-6.5 1.8/10578=13, 10578=13...(22) HD3 LYS 39 + HG2 GLU 43 OK 39 100 45 87 4.3-6.6 ~10574=29, ~10604=23...(16) HD2 LYS 39 - HG2 GLU 43 poor 20 98 20 - 4.2-7.7 HD2 LYS 94 - HG2 GLU 98 far 4 36 10 - 4.0-9.9 HD2 LYS 73 - HG3 GLU 35 far 0 79 0 - 6.0-9.0 HB ILE 76 - HG2 GLU 43 far 0 100 0 - 6.1-10.1 HD3 LYS 47 - HG2 GLU 43 far 0 59 0 - 6.2-9.9 HG3 LYS 47 - HG2 GLU 43 far 0 92 0 - 6.3-9.4 HD2 LYS 47 - HG2 GLU 43 far 0 61 0 - 6.3-10.3 HD2 LYS 73 - HG2 GLU 35 far 0 79 0 - 6.4-10.6 HD3 LYS 73 - HG3 GLU 35 far 0 82 0 - 6.8-9.4 HB2 LYS 40 - HG3 GLU 35 far 0 96 0 - 7.1-10.0 HB2 LYS 40 - HG2 GLU 35 far 0 96 0 - 7.2-8.9 HB ILE 76 - HG3 GLU 75 far 0 49 0 - 7.2-7.6 HB ILE 76 - HG2 GLU 75 far 0 46 0 - 7.3-8.2 HD3 LYS 73 - HG2 GLU 35 far 0 82 0 - 7.5-10.6 HD3 LYS 73 - HG3 GLU 75 far 0 38 0 - 7.5-9.8 HD2 LYS 73 - HG2 GLU 75 far 0 34 0 - 7.8-10.5 HD2 LYS 73 - HG3 GLU 75 far 0 36 0 - 8.1-9.1 HD2 LYS 73 - HG2 GLU 43 far 0 85 0 - 8.4-11.5 HD3 LYS 73 - HG2 GLU 43 far 0 88 0 - 8.5-11.7 HD3 LYS 73 - HG2 GLU 75 far 0 36 0 - 8.6-10.2 HG2 LYS 68 - HG3 GLU 35 far 0 97 0 - 8.9-14.7 HD3 LYS 39 - HG3 GLU 75 far 0 49 0 - 9.7-13.2 HD2 LYS 68 - HG3 GLU 35 far 0 94 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 10534 from cnoeabs.peaks (2.19, 4.29, 56.96 ppm; 4.54 A): 2 out of 7 assignments used, quality = 1.00: HG2 GLU 35 + HA ASP 36 OK 99 100 100 99 2.8-4.7 ~6558=39, 6560/3.0=39...(26) HG3 GLU 35 + HA ASP 36 OK 99 100 100 99 3.0-5.9 ~6558=39, 6560/3.0=39...(25) HG2 GLU 43 - HA ASP 36 far 0 100 0 - 6.1-9.1 HB2 GLU 63 - HA ASP 65 far 0 47 0 - 7.6-8.4 HG3 GLU 35 - HA ASP 65 far 0 47 0 - 7.7-12.5 HG2 GLU 35 - HA ASP 65 far 0 47 0 - 9.1-12.9 HB2 GLN 72 - HA ASP 65 far 0 33 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 10535 from cnoeabs.peaks (2.11, 4.29, 56.96 ppm; 4.38 A): 5 out of 15 assignments used, quality = 0.99: HG3 GLU 37 + HA ASP 36 OK 81 100 90 91 4.9-6.0 1608/3.6=62...(11) HB3 GLU 35 + HA ASP 36 OK 81 82 100 99 3.9-5.6 ~6558=52, ~1540=41...(20) HB2 LEU 64 + HA ASP 65 OK 47 47 100 100 4.5-5.1 7049/3.0=84, ~2825=46...(28) HB3 GLU 37 + HA ASP 36 OK 34 94 40 91 5.6-6.6 1594/3.6=60...(10) HG2 GLU 69 + HA ASP 65 OK 28 40 95 73 3.5-7.1 3110/7118=42...(9) HB2 GLU 69 - HA ASP 65 poor 16 40 60 68 4.3-6.4 4.0/7118=41...(8) HB3 LEU 38 - HA ASP 36 far 10 68 15 - 5.8-6.8 HB3 GLU 69 - HA ASP 65 far 2 40 5 - 5.1-7.1 HG2 GLU 104 - HA ASP 65 far 0 21 0 - 6.8-20.4 HB3 GLU 62 - HA ASP 65 far 0 40 0 - 7.4-8.3 HG3 GLU 104 - HA ASP 65 far 0 46 0 - 8.4-20.1 HB3 LEU 38 - HA ASP 65 far 0 26 0 - 8.7-10.6 HB3 GLU 35 - HA ASP 65 far 0 33 0 - 8.9-11.4 HG2 GLU 44 - HA ASP 36 far 0 82 0 - 9.3-13.5 HB2 GLU 69 - HA ASP 36 far 0 93 0 - 9.5-12.0 Violated in 0 structures by 0.00 A. Peak 10536 from cnoeabs.peaks (2.01, 4.29, 56.96 ppm; 4.94 A): 3 out of 6 assignments used, quality = 1.00: HB2 GLU 35 + HA ASP 36 OK 100 100 100 100 4.1-5.6 6558/3.0=90, ~6559=39...(21) QE MET 74 + HA ASP 36 OK 49 100 55 90 5.4-7.1 12073/10565=39...(9) HB2 GLU 37 + HA ASP 36 OK 27 79 35 97 6.2-6.6 6572/3.6=66...(11) HB2 GLU 62 - HA ASP 65 far 0 46 0 - 7.9-8.6 HB2 GLU 35 - HA ASP 65 far 0 48 0 - 9.3-11.6 QE MET 74 - HA ASP 65 far 0 47 0 - 9.4-12.3 Violated in 3 structures by 0.01 A. Peak 10537 from cnoeabs.peaks (1.80, 4.29, 56.96 ppm; 3.68 A): 2 out of 8 assignments used, quality = 0.96: HB2 LYS 39 + HA ASP 36 OK 94 100 95 99 2.6-5.3 10560=78, 6604/8949=45...(23) HB2 LYS 68 + HA ASP 65 OK 25 26 100 97 2.9-4.1 1.8/3009=41, 4.0/7100=33...(21) HB2 LYS 66 - HA ASP 65 far 0 24 0 - 5.6-6.6 HB3 GLU 63 - HA ASP 65 far 0 35 0 - 7.3-8.4 HB2 LEU 42 - HA ASP 36 far 0 100 0 - 7.6-9.6 HB2 LYS 66 - HA ASP 36 far 0 63 0 - 7.6-10.2 HB2 GLU 104 - HA ASP 65 far 0 47 0 - 7.8-21.3 HB3 LYS 82 - HA ASP 65 far 0 22 0 - 7.9-9.9 Violated in 0 structures by 0.00 A. Peak 10539 from cnoeabs.peaks (3.89, 2.50, 40.10 ppm; 4.73 A): 6 out of 17 assignments used, quality = 1.00: HB2 SER 85 + HB2 ASP 87 OK 93 97 100 96 3.1-6.1 9846/4.0=53, 9845/4.6=46...(13) HA GLU 35 + HB2 ASP 36 OK 83 96 90 97 5.6-6.5 3.6/6563=43, 4.9/1568=29...(17) HB2 SER 85 + HB3 ASP 87 OK 78 97 85 95 4.1-6.4 9846/4.0=53, 9845/4.6=46...(12) HA ARG 91 + HB3 ASP 87 OK 77 100 80 96 5.4-7.2 ~9963=36, ~9896=22...(23) HA GLU 35 + HB3 ASP 36 OK 37 95 40 96 5.5-6.6 3.6/6563=43, 4.9/1568=29...(17) HA ARG 91 + HB2 ASP 87 OK 24 100 25 96 5.5-7.2 ~9963=36, ~9896=22...(22) HA LYS 40 - HB3 ASP 36 far 12 79 15 - 5.7-8.6 HA LYS 40 - HB2 ASP 36 far 0 80 0 - 6.7-8.6 HA ALA 89 - HB2 ASP 87 far 0 98 0 - 7.2-8.2 HA LEU 38 - HB2 ASP 36 far 0 90 0 - 7.3-8.4 HA ALA 89 - HB3 ASP 87 far 0 98 0 - 7.3-8.2 HA LEU 38 - HB3 ASP 36 far 0 89 0 - 7.4-8.5 HA GLU 63 - HB2 ASP 61 far 0 55 0 - 7.7-8.8 HA TYR 41 - HB3 ASP 36 far 0 54 0 - 9.1-10.9 HA TYR 41 - HB2 ASP 36 far 0 55 0 - 9.4-11.1 HA ALA 67 - HB3 ASP 36 far 0 60 0 - 9.4-11.0 HA ALA 67 - HB2 ASP 36 far 0 61 0 - 9.7-10.5 Violated in 0 structures by 0.00 A. Peak 10540 from cnoeabs.peaks (7.64, 4.29, 56.96 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.99: H LYS 40 + HA ASP 36 OK 99 99 100 100 3.5-4.7 8863=97, 6620/10560=63...(11) Violated in 4 structures by 0.04 A. Peak 10541 from cnoeabs.peaks (7.53, 4.29, 56.96 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: H LEU 38 + HA ASP 36 OK 100 100 100 100 4.2-4.6 8940=94, 6576/3.6=86...(18) Violated in 0 structures by 0.00 A. Peak 10543 from cnoeabs.peaks (3.87, 3.71, 58.70 ppm; 3.94 A): 2 out of 9 assignments used, quality = 0.99: HA LEU 38 + HA GLU 37 OK 97 100 100 97 4.7-4.9 3.6/6595=32, ~6576=28...(19) HA LYS 40 + HA GLU 37 OK 55 100 55 100 4.9-5.7 2.9/6615=64, 3.0/1794=64...(15) HA GLU 35 - HA GLU 37 far 0 95 0 - 6.3-6.8 HB2 SER 85 - HA LEU 14 far 0 26 0 - 6.4-8.3 HA LYS 12 - HA LEU 14 far 0 40 0 - 6.5-6.6 HA ALA 89 - HA LEU 14 far 0 28 0 - 6.8-8.1 HA ALA 67 - HA GLU 37 far 0 96 0 - 8.8-9.7 HA GLU 43 - HA GLU 37 far 0 98 0 - 9.5-10.7 HA ARG 91 - HA LEU 14 far 0 39 0 - 9.8-11.1 Violated in 20 structures by 0.53 A. Peak 10545 from cnoeabs.peaks (1.79, 2.07, 40.84 ppm; 5.48 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 39 + HB3 LEU 38 OK 100 100 100 100 3.8-6.1 6604/6599=93...(21) HB2 LYS 66 + HB3 LEU 38 OK 68 81 95 89 4.6-7.6 ~9517=33, 1.8/10546=24...(25) HB2 LEU 42 + HB3 LEU 38 OK 63 98 65 100 4.9-8.4 8922/3.1=34, ~12083=34...(31) HB ILE 56 - HB3 LEU 38 poor 13 75 30 60 6.7-9.0 3.2/12202=23, ~10674=12...(12) HB3 GLU 63 - HB3 LEU 38 far 5 96 5 - 6.8-10.4 HB VAL 78 - HB3 LEU 38 far 0 97 0 - 7.9-10.5 HB3 LEU 57 - HB3 LEU 38 far 0 77 0 - 10.0-12.9 Violated in 1 structures by 0.00 A. Peak 10546 from cnoeabs.peaks (1.88, 2.07, 40.84 ppm; 5.45 A): 3 out of 9 assignments used, quality = 1.00: HG LEU 42 + HB3 LEU 38 OK 96 96 100 100 3.7-6.0 12068/3.1=42, ~12083=40...(32) HB3 LYS 39 + HB3 LEU 38 OK 83 93 90 99 5.1-7.2 4.0/6599=84, ~10550=42...(17) HB3 LYS 66 + HB3 LEU 38 OK 71 92 90 86 4.7-7.8 ~9517=33, 1.8/10545=23...(20) HB ILE 8 - HB3 LEU 38 poor 19 97 20 - 6.6-9.5 HB3 LYS 33 - HB3 LEU 38 far 0 70 0 - 7.2-10.2 HB3 LYS 68 - HB3 LEU 38 far 0 99 0 - 7.8-9.8 HB2 LYS 33 - HB3 LEU 38 far 0 65 0 - 8.2-11.2 HB VAL 54 - HB3 LEU 38 far 0 100 0 - 8.4-11.3 HB2 GLU 43 - HB3 LEU 38 far 0 85 0 - 9.2-12.2 Violated in 0 structures by 0.00 A. Peak 10548 from cnoeabs.peaks (2.64, 0.86, 23.57 ppm; 4.92 A): 1 out of 4 assignments used, quality = 0.65: HB3 TYR 41 + QD1 LEU 38 OK 65 100 65 100 4.3-7.2 1.8/10549=68...(17) HG3 MET 74 - QD1 LEU 38 poor 17 93 50 36 4.1-9.0 3365/1665=10...(5) HB3 ASP 65 - QD1 LEU 38 far 0 100 0 - 7.4-9.4 HD2 ARG 30 - QD1 LEU 38 far 0 75 0 - 7.5-10.9 Violated in 13 structures by 0.88 A. Peak 10549 from cnoeabs.peaks (2.31, 0.86, 23.57 ppm; 5.02 A): 1 out of 6 assignments used, quality = 0.99: HB2 TYR 41 + QD1 LEU 38 OK 99 100 100 99 3.3-5.8 1.8/10548=66...(13) HG3 GLU 43 - QD1 LEU 38 poor 15 98 45 34 5.9-9.2 6668/8912=14...(6) HG2 GLU 63 - QD1 LEU 38 far 0 96 0 - 6.5-10.0 HG3 GLU 69 - QD1 LEU 38 far 0 77 0 - 6.6-9.3 HB2 TYR 4 - QD1 LEU 38 far 0 93 0 - 7.9-10.3 HD3 ARG 81 - QD1 LEU 38 far 0 100 0 - 9.5-13.1 Violated in 8 structures by 0.22 A. Peak 10550 from cnoeabs.peaks (1.81, 1.46, 40.84 ppm; 5.44 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 39 + HB2 LEU 38 OK 99 99 100 100 3.9-5.2 6604/1633=83...(29) HB2 LEU 42 + HB2 LEU 38 OK 55 100 55 100 5.3-8.1 3.1/12083=44...(33) HB VAL 78 - HB2 LEU 38 far 0 82 0 - 7.0-11.1 HB3 GLU 63 - HB2 LEU 38 far 0 79 0 - 7.9-9.9 HB2 LYS 68 - HB2 LEU 38 far 0 75 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 10551 from cnoeabs.peaks (1.90, 1.46, 40.84 ppm; 5.40 A): 2 out of 8 assignments used, quality = 1.00: HG LEU 42 + HB2 LEU 38 OK 99 99 100 100 3.7-6.2 12068/3.1=49...(34) HB VAL 32 + HB2 LEU 38 OK 65 65 100 100 4.4-5.8 ~10162=67, 2.1/8944=51...(23) HB ILE 8 - HB2 LEU 38 far 0 99 0 - 7.7-9.0 HB3 LYS 33 - HB2 LEU 38 far 0 99 0 - 7.8-10.2 HB VAL 54 - HB2 LEU 38 far 0 93 0 - 7.8-12.0 HB3 LYS 68 - HB2 LEU 38 far 0 71 0 - 8.1-9.7 HB2 LYS 33 - HB2 LEU 38 far 0 98 0 - 8.7-10.7 HB2 GLU 43 - HB2 LEU 38 far 0 100 0 - 9.6-11.5 Violated in 0 structures by 0.00 A. Peak 10552 from cnoeabs.peaks (3.72, 3.86, 58.99 ppm; 3.98 A): 2 out of 7 assignments used, quality = 0.89: HA LEU 42 + HA GLU 43 OK 73 77 100 95 4.8-4.9 6703/3.6=38, ~6685=29...(16) HA GLU 37 + HA LYS 40 OK 59 99 60 100 4.9-5.7 6615/2.9=65, 1794/3.0=64...(15) HA GLU 37 - HA GLU 35 far 0 59 0 - 6.3-6.8 HA LEU 42 - HA LYS 40 far 0 98 0 - 6.3-6.7 HA LEU 64 - HA GLU 35 far 0 37 0 - 8.3-9.9 HA GLU 37 - HA GLU 43 far 0 79 0 - 9.5-10.7 HA LEU 14 - HA ARG 91 far 0 38 0 - 9.8-11.1 Violated in 20 structures by 0.52 A. Peak 10557 from cnoeabs.peaks (8.20, 3.61, 60.29 ppm; 4.98 A): 1 out of 3 assignments used, quality = 1.00: H GLU 43 + HA LYS 39 OK 100 100 100 100 3.5-4.5 6681=99, 6685/6663=77...(15) H ASP 36 - HA LYS 39 far 0 96 0 - 7.3-8.1 H LYS 68 - HA LYS 39 far 0 97 0 - 8.2-9.8 Violated in 0 structures by 0.00 A. Peak 10558 from cnoeabs.peaks (7.53, 3.61, 60.29 ppm; 5.70 A): 1 out of 2 assignments used, quality = 1.00: H LEU 38 + HA LYS 39 OK 100 100 100 100 5.2-5.5 10547=100, 6591/3.0=99...(15) H ILE 76 - HA LYS 39 far 0 79 0 - 7.3-8.7 Violated in 0 structures by 0.00 A. Peak 10559 from cnoeabs.peaks (7.84, 3.61, 60.29 ppm; 5.69 A): 2 out of 2 assignments used, quality = 0.97: H TYR 41 + HA LYS 39 OK 95 95 100 100 4.2-4.9 6643=93, 6637/3.6=90...(20) H LYS 73 + HA LYS 39 OK 39 100 50 78 6.9-7.6 9577/10822=39...(6) Violated in 0 structures by 0.00 A. Peak 10560 from cnoeabs.peaks (4.28, 1.80, 32.18 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: HA ASP 36 + HB2 LYS 39 OK 100 100 100 100 2.6-5.3 10537=79, 8949/6604=53...(23) Violated in 9 structures by 0.35 A. Peak 10561 from cnoeabs.peaks (3.87, 1.80, 32.18 ppm; 4.40 A): 6 out of 11 assignments used, quality = 1.00: HA LYS 40 + HB2 LYS 39 OK 99 99 100 100 4.2-5.6 2.9/6620=79, ~6621=54...(39) HA LEU 38 + HB2 LYS 39 OK 89 100 90 99 5.6-6.0 3.6/6604=73, 2.9/8853=47...(18) HA ARG 91 + HB2 LYS 90 OK 84 85 100 99 3.9-5.6 3.0/7433=42, ~7435=34...(27) HA GLU 35 + HB2 LYS 39 OK 76 98 85 92 4.7-6.1 4.9/10560=46...(19) HA ALA 67 + HB2 LYS 39 OK 23 92 50 51 5.0-8.1 6597/6604=9, 9541/8956=9...(14) HA ALA 89 + HB2 LYS 90 OK 21 69 35 89 5.6-6.6 3.6/7417=39, 3.0/7402=29...(12) HA ALA 71 - HB2 LYS 39 far 12 81 15 - 5.8-7.8 HA GLU 43 - HB2 LYS 39 far 0 99 0 - 7.0-8.2 HA LYS 94 - HB2 LYS 90 far 0 89 0 - 7.6-9.4 HB2 SER 85 - HB2 LYS 90 far 0 66 0 - 7.7-9.9 HA GLU 63 - HB2 LYS 39 far 0 57 0 - 9.8-12.9 Violated in 0 structures by 0.00 A. Peak 10562 from cnoeabs.peaks (4.28, 1.34, 25.61 ppm; 5.25 A): 2 out of 3 assignments used, quality = 1.00: HA ASP 36 + HG2 LYS 39 OK 100 100 100 100 2.4-5.6 10560/3.0=89...(28) HA ASP 65 + HG3 LYS 68 OK 46 46 100 100 3.2-4.6 10268/1.8=66...(22) HA LEU 103 - HG3 LYS 68 far 0 59 0 - 7.3-20.2 Violated in 0 structures by 0.00 A. Peak 10563 from cnoeabs.peaks (4.29, 1.64, 29.36 ppm; 3.89 A): 4 out of 7 assignments used, quality = 1.00: HA ASP 36 + HD3 LYS 39 OK 98 100 100 98 1.9-5.0 10560/3.6=48...(26) HA ASP 36 + HD2 LYS 39 OK 92 94 100 98 1.9-4.3 10560/3.6=48...(27) HA ASP 65 + HD2 LYS 68 OK 72 78 95 98 3.0-5.7 10268/3.0=36...(26) HA ASP 65 + HD3 LYS 68 OK 66 79 85 98 2.5-5.9 10268/3.0=36...(28) HA LEU 103 - HD3 LYS 68 far 0 89 0 - 7.7-17.9 HA LEU 103 - HD2 LYS 68 far 0 88 0 - 8.5-18.0 HA LEU 103 - HD2 LYS 94 far 0 87 0 - 9.8-16.9 Violated in 0 structures by 0.00 A. Peak 10564 from cnoeabs.peaks (4.29, 2.87, 41.80 ppm; 4.27 A): 2 out of 7 assignments used, quality = 1.00: HA ASP 36 + HE2 LYS 39 OK 96 100 100 96 2.1-5.5 10560/4.9=41, 8788=37...(18) HA ASP 36 + HE3 LYS 39 OK 96 99 100 96 2.0-5.3 10560/4.9=41, 8788=37...(18) HA ASP 65 - HE3 LYS 66 poor 17 48 35 - 5.1-8.7 HA ASP 65 - HE2 LYS 66 far 0 62 0 - 6.1-8.9 HA ASP 65 - HE3 LYS 82 far 0 55 0 - 6.6-10.9 HA ASP 36 - HE3 LYS 66 far 0 57 0 - 6.7-11.0 HA ASP 36 - HE2 LYS 66 far 0 73 0 - 7.0-11.7 Violated in 1 structures by 0.00 A. Peak 10565 from cnoeabs.peaks (4.28, 1.44, 25.61 ppm; 5.78 A): 1 out of 1 assignment used, quality = 0.97: HA ASP 36 + HG3 LYS 39 OK 97 97 100 100 2.8-5.6 10560/3.0=94...(27) Violated in 0 structures by 0.00 A. Peak 10566 from cnoeabs.peaks (0.69, 1.80, 32.18 ppm; 5.34 A): 3 out of 10 assignments used, quality = 1.00: QD1 LEU 42 + HB2 LYS 39 OK 100 100 100 100 3.5-4.7 8953/3.0=91...(30) QD1 LEU 14 + HB2 LYS 90 OK 53 81 100 66 5.1-6.8 9943/4.1=27...(10) QD2 LEU 14 + HB2 LYS 90 OK 24 86 45 61 5.9-8.2 9943/4.1=28...(8) QG1 VAL 5 - HB2 LYS 90 far 9 63 15 - 6.5-8.3 QD1 ILE 56 - HB2 LYS 39 far 0 98 0 - 7.3-10.2 QG2 VAL 78 - HB2 LYS 39 far 0 84 0 - 7.4-10.0 QD1 ILE 8 - HB2 LYS 39 far 0 97 0 - 7.6-9.3 QD2 LEU 6 - HB2 LYS 39 far 0 99 0 - 7.8-10.0 HG13 ILE 56 - HB2 LYS 39 far 0 93 0 - 8.9-11.2 QG1 VAL 58 - HB2 LYS 39 far 0 85 0 - 9.5-11.7 Violated in 0 structures by 0.00 A. Peak 10567 from cnoeabs.peaks (0.71, 1.87, 32.18 ppm; 4.42 A): 4 out of 27 assignments used, quality = 0.98: QD1 LEU 64 + HB3 LYS 68 OK 80 82 100 97 3.6-4.4 ~12320=40...(29) QD1 LEU 42 + HB3 LYS 39 OK 79 80 100 100 3.3-4.5 8953/3.0=68, 8947/4.0=43...(29) QG2 VAL 78 + HB3 LYS 68 OK 51 100 75 69 4.9-6.3 10905/3.0=16, ~9687=15...(14) QG1 VAL 58 + HB3 LYS 68 OK 23 100 35 67 5.3-6.5 10223/10258=23...(13) QD1 ILE 56 - HB3 LYS 68 poor 20 100 20 - 5.1-8.3 QD1 ILE 8 - HB3 LYS 68 far 5 100 5 - 5.9-7.4 HG13 ILE 56 - HB3 LYS 68 far 0 100 0 - 5.9-9.4 QG2 VAL 58 - HB3 LYS 68 far 0 59 0 - 6.1-6.7 QD2 LEU 14 - HB2 LYS 12 far 0 89 0 - 6.5-7.0 QG2 ILE 93 - HB2 LYS 20 far 0 50 0 - 6.6-9.0 QD2 LEU 14 - HB3 LYS 12 far 0 90 0 - 6.6-7.1 QG1 VAL 78 - HB3 LYS 39 far 0 71 0 - 6.7-8.4 QD1 LEU 42 - HB3 LYS 68 far 0 84 0 - 6.8-7.5 QG1 VAL 78 - HB3 LYS 68 far 0 75 0 - 7.2-8.4 QG2 VAL 78 - HB3 LYS 39 far 0 97 0 - 7.3-9.4 QD1 ILE 56 - HB3 LYS 39 far 0 97 0 - 7.6-10.0 QD1 ILE 8 - HB3 LYS 39 far 0 98 0 - 8.1-10.2 QD2 LEU 6 - HB3 LYS 39 far 0 76 0 - 8.2-10.1 QD1 LEU 14 - HB3 LYS 12 far 0 52 0 - 8.5-8.9 QD1 LEU 14 - HB2 LYS 12 far 0 51 0 - 8.7-8.9 QD2 LEU 6 - HB3 LYS 68 far 0 81 0 - 8.9-12.0 HG13 ILE 93 - HB2 LYS 20 far 0 62 0 - 9.0-11.9 QG1 VAL 5 - HB2 LYS 20 far 0 82 0 - 9.0-10.2 HG13 ILE 56 - HB3 LYS 39 far 0 98 0 - 9.3-11.4 QD2 LEU 14 - HB2 LYS 20 far 0 85 0 - 9.4-10.5 QD1 ILE 52 - HB3 LYS 39 far 0 88 0 - 9.7-11.5 QD1 LEU 14 - HB2 LYS 20 far 0 49 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 10568 from cnoeabs.peaks (0.66, 1.44, 25.61 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.71: QD1 LEU 42 + HG3 LYS 39 OK 71 71 100 99 3.1-5.3 10570/1.8=77...(15) QD2 LEU 6 - HG3 LYS 39 far 0 75 0 - 7.5-10.3 QG2 VAL 54 - HG3 LYS 39 far 0 100 0 - 8.8-11.1 Violated in 16 structures by 0.38 A. Peak 10569 from cnoeabs.peaks (0.80, 1.34, 25.61 ppm; 3.63 A): 2 out of 19 assignments used, quality = 0.95: QD1 LEU 70 + HG2 LYS 39 OK 90 97 100 92 3.1-5.1 8952/3.9=21, 8956/3.0=17...(35) QD2 LEU 70 + HG2 LYS 39 OK 51 100 55 93 3.4-6.6 10822/3.9=39...(35) QD2 LEU 103 - HG3 LYS 68 far 0 51 0 - 5.3-18.8 QD1 ILE 76 - HG2 LYS 39 far 0 100 0 - 5.4-7.7 QD2 LEU 42 - HG2 LYS 39 far 0 68 0 - 5.8-7.5 QD2 LEU 38 - HG2 LYS 39 far 0 91 0 - 5.8-7.8 QD2 LEU 70 - HG3 LYS 68 far 0 66 0 - 6.7-8.9 QG2 VAL 32 - HG2 LYS 39 far 0 77 0 - 7.1-9.6 QD1 LEU 6 - HG2 LYS 39 far 0 75 0 - 7.2-10.9 QD2 LEU 38 - HG3 LYS 68 far 0 55 0 - 7.3-9.5 QD2 LEU 42 - HG3 LYS 68 far 0 38 0 - 7.4-9.1 QD1 LEU 70 - HG3 LYS 68 far 0 62 0 - 7.6-8.8 QD1 LEU 57 - HG3 LYS 68 far 0 49 0 - 7.8-11.8 QD2 LEU 57 - HG3 LYS 68 far 0 66 0 - 8.1-11.6 QD1 LEU 6 - HG3 LYS 68 far 0 43 0 - 8.5-12.4 QD1 ILE 76 - HG3 LYS 68 far 0 67 0 - 9.2-11.2 QG2 ILE 8 - HG3 LYS 68 far 0 61 0 - 9.3-11.3 QG2 ILE 8 - HG2 LYS 39 far 0 96 0 - 9.7-12.1 QG2 VAL 32 - HG3 LYS 68 far 0 44 0 - 9.9-11.4 Violated in 10 structures by 0.13 A. Peak 10570 from cnoeabs.peaks (0.68, 1.34, 25.61 ppm; 3.23 A): 1 out of 12 assignments used, quality = 0.21: QD1 LEU 42 + HG2 LYS 39 OK 21 99 25 85 3.4-5.4 10568/1.8=29...(17) QD1 ILE 56 - HG3 LYS 68 far 2 44 5 - 4.2-8.5 HG13 ILE 56 - HG3 LYS 68 far 0 35 0 - 6.2-10.1 QG2 VAL 58 - HG3 LYS 68 far 0 67 0 - 6.5-9.0 QD1 LEU 42 - HG3 LYS 68 far 0 64 0 - 6.9-8.4 QD1 ILE 8 - HG3 LYS 68 far 0 42 0 - 7.3-9.0 QD1 ILE 8 - HG2 LYS 39 far 0 73 0 - 8.3-10.1 QD1 ILE 56 - HG2 LYS 39 far 0 77 0 - 8.6-10.2 QD2 LEU 6 - HG2 LYS 39 far 0 99 0 - 8.7-10.8 QG2 VAL 54 - HG3 LYS 68 far 0 53 0 - 9.2-11.5 QG2 VAL 54 - HG2 LYS 39 far 0 88 0 - 9.5-11.2 HG13 ILE 56 - HG2 LYS 39 far 0 63 0 - 9.5-12.1 Violated in 20 structures by 1.58 A. Peak 10571 from cnoeabs.peaks (2.52, 1.34, 25.61 ppm; 5.97 A): 4 out of 7 assignments used, quality = 0.99: HB2 ASP 36 + HG2 LYS 39 OK 83 98 85 100 4.2-8.4 ~10560=64, ~10565=59...(26) HB3 ASP 36 + HG2 LYS 39 OK 74 99 75 100 3.7-8.3 ~10560=64, ~10565=59...(26) HG3 GLN 72 + HG3 LYS 68 OK 56 56 100 100 3.1-7.0 9563/2.9=71...(25) HG2 MET 74 + HG2 LYS 39 OK 40 99 40 100 3.8-8.5 3.4/12072=88, ~12073=76...(17) HB2 ASP 61 - HG3 LYS 68 far 0 65 0 - 8.1-12.8 HG2 MET 74 - HG3 LYS 68 far 0 64 0 - 8.6-12.7 HG3 GLN 72 - HG2 LYS 39 far 0 92 0 - 8.8-12.8 Violated in 0 structures by 0.00 A. Peak 10572 from cnoeabs.peaks (2.31, 1.34, 25.61 ppm; 5.14 A): 3 out of 5 assignments used, quality = 0.99: HG3 GLU 43 + HG2 LYS 39 OK 98 98 100 100 3.3-5.6 10574/1.8=77...(19) HG3 GLU 69 + HG3 LYS 68 OK 40 44 100 90 3.0-6.4 ~4538=21, 4.1/10795=21...(15) HB2 TYR 41 + HG2 LYS 39 OK 26 100 35 74 6.4-8.5 8874/10570=34...(8) HD3 ARG 81 - HG3 LYS 68 far 3 67 5 - 6.1-10.7 HG3 GLU 69 - HG2 LYS 39 far 0 77 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 10573 from cnoeabs.peaks (2.19, 1.34, 25.61 ppm; 4.97 A): 4 out of 7 assignments used, quality = 1.00: HG2 GLU 43 + HG2 LYS 39 OK 99 100 100 99 3.4-6.0 ~10574=57, 1.8/10572=46...(19) HG2 GLU 35 + HG2 LYS 39 OK 67 100 70 95 4.5-8.1 10576/3.0=22...(27) HG3 GLU 35 + HG2 LYS 39 OK 66 100 70 95 4.0-7.7 10576/3.0=22...(25) HB2 GLN 72 + HG3 LYS 68 OK 30 48 75 83 5.7-9.3 ~9563=35, ~10841=23...(11) HG3 GLU 75 - HG2 LYS 39 far 0 96 0 - 9.0-13.7 HB2 GLU 63 - HG3 LYS 68 far 0 66 0 - 9.1-11.8 HB2 GLN 72 - HG2 LYS 39 far 0 82 0 - 9.3-13.8 Violated in 0 structures by 0.00 A. Peak 10574 from cnoeabs.peaks (2.31, 1.44, 25.61 ppm; 5.29 A): 1 out of 3 assignments used, quality = 0.94: HG3 GLU 43 + HG3 LYS 39 OK 94 95 100 100 3.1-6.1 10280/12073=75...(24) HB2 TYR 41 - HG3 LYS 39 far 5 99 5 - 6.7-7.6 HG3 GLU 69 - HG3 LYS 39 far 0 68 0 - 9.5-13.5 Violated in 6 structures by 0.18 A. Peak 10575 from cnoeabs.peaks (2.20, 1.44, 25.61 ppm; 4.85 A): 3 out of 4 assignments used, quality = 0.97: HG2 GLU 43 + HG3 LYS 39 OK 87 99 90 99 2.3-7.0 1.8/10574=69, ~10572=33...(22) HG3 GLU 35 + HG3 LYS 39 OK 51 100 55 93 3.1-8.6 10576/3.0=21...(24) HG2 GLU 35 + HG3 LYS 39 OK 51 100 55 93 2.8-8.1 10576/3.0=21...(24) HB3 GLN 72 - HG3 LYS 39 far 0 65 0 - 8.6-13.3 Violated in 0 structures by 0.00 A. Peak 10576 from cnoeabs.peaks (2.19, 1.80, 32.18 ppm; 4.73 A): 4 out of 8 assignments used, quality = 1.00: HG2 GLU 35 + HB2 LYS 39 OK 93 100 100 93 3.6-6.1 10534/10560=28...(21) HG3 GLU 35 + HB2 LYS 39 OK 92 100 100 93 4.0-5.9 10534/10560=28...(21) HG2 GLU 43 + HB2 LYS 39 OK 91 100 95 96 4.3-6.4 ~10574=42, ~10604=33...(17) HG3 PRO 86 + HB2 LYS 90 OK 22 90 35 71 5.8-7.0 7380/9901=26...(11) HB3 GLU 16 - HB2 LYS 90 far 0 72 0 - 7.1-11.2 HB2 GLU 95 - HB2 LYS 90 far 0 85 0 - 8.4-12.0 HB3 GLU 23 - HB2 LYS 90 far 0 52 0 - 9.0-11.9 HG3 GLU 75 - HB2 LYS 39 far 0 96 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 10577 from cnoeabs.peaks (2.51, 1.64, 29.36 ppm; 4.72 A): 6 out of 17 assignments used, quality = 1.00: HB3 ASP 36 + HD2 LYS 39 OK 85 93 95 96 3.0-6.3 ~10565=29, 3.0/10563=22...(25) HB3 ASP 36 + HD3 LYS 39 OK 72 100 75 96 4.4-6.7 ~10565=29, 3.0/10563=24...(24) HB2 ASP 36 + HD2 LYS 39 OK 67 93 75 96 3.1-7.0 ~10565=29, 3.0/10563=22...(25) HG3 GLN 72 + HD2 LYS 68 OK 60 73 85 97 4.4-6.5 9563/3.5=39, 9564=23...(24) HB2 ASP 36 + HD3 LYS 39 OK 52 99 55 96 3.1-7.7 ~10565=29, 3.0/10563=24...(24) HG3 GLN 72 + HD3 LYS 68 OK 32 74 45 97 5.7-7.1 9563/3.5=39...(26) HD2 ARG 91 - HD2 LYS 94 poor 17 67 25 - 3.1-10.9 HG3 GLU 95 - HD2 LYS 94 far 13 84 15 - 6.1-8.2 HG2 MET 74 - HD3 LYS 39 far 5 97 5 - 5.7-9.0 HG2 MET 74 - HD2 LYS 39 far 4 89 5 - 5.9-9.2 HB3 ASP 87 - HD2 LYS 94 far 0 81 0 - 7.2-12.7 HB2 ASP 87 - HD2 LYS 94 far 0 81 0 - 7.6-13.3 HB2 ASP 61 - HD3 LYS 68 far 0 91 0 - 7.7-12.0 HG2 MET 74 - HD2 LYS 68 far 0 84 0 - 8.2-14.9 HB2 ASP 61 - HD2 LYS 68 far 0 90 0 - 8.5-11.9 HG2 MET 74 - HD3 LYS 68 far 0 85 0 - 9.1-15.0 HG3 GLN 72 - HD2 LYS 39 far 0 78 0 - 9.2-13.3 Violated in 0 structures by 0.00 A. Peak 10578 from cnoeabs.peaks (2.19, 1.64, 29.36 ppm; 4.40 A): 6 out of 19 assignments used, quality = 1.00: HG2 GLU 35 + HD2 LYS 39 OK 79 91 100 87 2.7-5.8 10533=20, 10576/3.6=16...(21) HG3 GLU 35 + HD2 LYS 39 OK 71 91 90 86 2.0-7.1 1.8/10533=17, 10533=16...(20) HG2 GLU 35 + HD3 LYS 39 OK 68 99 80 87 3.4-6.5 10533/1.8=17...(23) HG3 GLU 35 + HD3 LYS 39 OK 68 99 80 86 2.8-7.3 10576/3.6=16, 10533=15...(22) HG2 GLU 43 + HD3 LYS 39 OK 55 100 60 91 4.3-6.6 ~10574=36, ~10604=28...(15) HG2 GLU 43 + HD2 LYS 39 OK 43 94 50 92 4.2-7.7 ~10574=36, ~10604=28...(15) HG2 GLU 98 - HD2 LYS 94 far 9 62 15 - 4.0-9.9 HB2 GLU 95 - HD2 LYS 94 far 4 78 5 - 5.8-7.6 HB2 GLN 72 - HD2 LYS 68 far 4 76 5 - 5.9-8.1 HG2 GLU 104 - HD3 LYS 68 far 3 50 5 - 4.6-19.2 HG2 GLU 104 - HD2 LYS 68 far 2 50 5 - 5.5-20.6 HG2 GLU 104 - HD2 LYS 94 far 0 48 0 - 6.9-19.6 HB2 GLN 72 - HD3 LYS 68 far 0 77 0 - 7.3-9.2 HB3 GLU 95 - HD2 LYS 94 far 0 67 0 - 7.4-8.8 HG2 GLU 99 - HD2 LYS 94 far 0 52 0 - 7.8-12.4 HB2 GLU 63 - HD3 LYS 68 far 0 87 0 - 9.1-11.8 HG3 GLU 75 - HD3 LYS 39 far 0 99 0 - 9.7-13.2 HG3 GLU 35 - HD2 LYS 68 far 0 86 0 - 9.8-14.7 HG3 PRO 86 - HD2 LYS 94 far 0 86 0 - 9.8-15.3 Violated in 0 structures by 0.00 A. Peak 10579 from cnoeabs.peaks (2.01, 1.16, 24.65 ppm; 5.72 A): 4 out of 6 assignments used, quality = 0.98: HB2 GLU 44 + HG2 LYS 40 OK 87 99 95 93 4.4-7.4 1881/10585=52...(11) QE MET 74 + HG2 LYS 40 OK 45 99 65 70 5.4-8.1 9589/4.9=28, 9610/3.8=26...(6) HB2 GLU 37 + HG2 LYS 40 OK 43 71 60 100 5.4-7.9 3.0/8962=81, ~1794=62...(18) HB3 GLU 44 + HG2 LYS 40 OK 41 99 50 82 5.3-8.0 3.9/1806=28...(10) HB2 GLU 62 - HG3 LYS 82 far 0 49 0 - 8.1-10.1 HB2 ARG 46 - HG2 LYS 40 far 0 65 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 10580 from cnoeabs.peaks (2.34, 1.16, 24.65 ppm; 5.89 A): 3 out of 4 assignments used, quality = 0.99: HG3 GLU 44 + HG2 LYS 40 OK 84 99 95 89 3.4-7.5 10185/1.8=32...(11) HB2 TYR 41 + HG2 LYS 40 OK 81 81 100 100 5.6-6.8 3.0/10585=82...(15) HG3 GLU 43 + HG2 LYS 40 OK 77 92 90 93 4.8-7.9 1956/3.8=32, 1990/4.9=25...(15) HD3 ARG 81 - HG3 LYS 82 far 1 28 5 - 6.1-9.3 Violated in 0 structures by 0.00 A. Peak 10581 from cnoeabs.peaks (4.80, 1.46, 28.90 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.98: HA ASN 60 + HD2 LYS 82 OK 97 99 100 99 4.2-5.3 10938/1.8=83, ~9417=27...(16) HA TRP 92 + HB2 ARG 91 OK 28 29 100 96 4.2-4.5 ~7458=45, 10983/3.9=35...(15) HA VAL 83 - HD2 LYS 82 poor 20 100 20 - 4.4-7.2 HA VAL 83 - HB2 ARG 91 far 0 33 0 - 8.5-10.4 Violated in 0 structures by 0.00 A. Peak 10583 from cnoeabs.peaks (8.19, 3.93, 59.76 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: H GLU 43 + HA TYR 41 OK 100 100 100 100 4.2-4.9 6685/3.6=87, 6683/3.0=76...(12) Violated in 0 structures by 0.00 A. Peak 10584 from cnoeabs.peaks (8.26, 3.93, 59.76 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.98: H PHE 45 + HA TYR 41 OK 98 100 100 98 4.7-5.6 6698/10583=50...(10) Violated in 17 structures by 0.45 A. Peak 10585 from cnoeabs.peaks (1.16, 3.93, 59.76 ppm; 5.20 A): 1 out of 4 assignments used, quality = 1.00: HG2 LYS 40 + HA TYR 41 OK 100 100 100 100 3.7-5.0 6648/3.0=78, ~1805=51...(22) HB2 LEU 6 - HA TYR 41 far 0 92 0 - 7.5-8.5 QG2 THR 31 - HA TYR 41 far 0 93 0 - 9.3-10.1 QG2 THR 34 - HA TYR 41 far 0 96 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10586 from cnoeabs.peaks (1.36, 3.93, 59.76 ppm; 5.19 A): 2 out of 6 assignments used, quality = 1.00: HG3 LYS 40 + HA TYR 41 OK 100 100 100 100 4.1-5.6 1.8/10585=81...(22) HB3 ARG 30 + HA TYR 41 OK 88 97 100 91 5.8-6.5 ~10509=41, 8700/3.7=32...(10) HG2 LYS 39 - HA TYR 41 far 0 98 0 - 7.1-9.6 QB ALA 67 - HA TYR 41 far 0 92 0 - 8.1-9.3 HB2 LEU 70 - HA TYR 41 far 0 98 0 - 9.4-10.6 HG12 ILE 8 - HA TYR 41 far 0 100 0 - 10.0-11.9 Violated in 0 structures by 0.00 A. Peak 10588 from cnoeabs.peaks (1.67, 3.93, 59.76 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: HB3 LYS 40 + HA TYR 41 OK 96 96 100 100 3.9-4.3 1805/3.0=77...(27) HB2 LYS 40 + HA TYR 41 OK 89 90 100 100 5.5-5.6 1793/3.0=68...(23) HD2 LYS 39 - HA TYR 41 far 0 97 0 - 7.1-10.8 HD2 LYS 47 - HA TYR 41 far 0 98 0 - 7.8-11.2 HB3 LEU 6 - HA TYR 41 far 0 92 0 - 7.9-9.2 HD3 LYS 47 - HA TYR 41 far 0 98 0 - 8.0-11.2 HD3 LYS 39 - HA TYR 41 far 0 82 0 - 8.3-10.4 HB ILE 76 - HA TYR 41 far 0 87 0 - 9.4-10.3 Violated in 0 structures by 0.00 A. Peak 10592 from cnoeabs.peaks (0.88, 3.70, 58.24 ppm; 4.67 A): 2 out of 4 assignments used, quality = 1.00: QG2 ILE 76 + HA LEU 42 OK 99 99 100 100 3.4-4.4 3452/10878=64...(32) QD1 LEU 38 + HA LEU 42 OK 33 96 40 87 5.0-7.6 8912/3.0=37...(11) QG1 VAL 32 - HA LEU 42 far 0 73 0 - 7.0-8.3 QD1 LEU 2 - HA LEU 42 far 0 100 0 - 7.8-10.6 Violated in 0 structures by 0.00 A. Peak 10594 from cnoeabs.peaks (2.63, 0.69, 25.64 ppm; 5.40 A): 2 out of 7 assignments used, quality = 1.00: HB3 TYR 41 + QD1 LEU 42 OK 100 100 100 100 5.2-6.1 4.1/6676=82, 1.8/8874=44...(19) HG3 MET 74 + QD1 LEU 42 OK 99 99 100 100 1.8-4.1 3.4/9605=88, 1.8/9615=75...(28) HB VAL 58 - QD1 LEU 14 poor 13 63 20 - 6.8-7.6 HB3 ASP 77 - QD1 LEU 42 far 0 100 0 - 7.9-10.1 HD3 ARG 91 - QD1 LEU 14 far 0 71 0 - 8.2-9.5 HB3 ASP 65 - QD1 LEU 42 far 0 99 0 - 9.1-10.7 HB VAL 58 - QD1 LEU 42 far 0 70 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10595 from cnoeabs.peaks (2.62, 0.77, 21.93 ppm; 5.18 A): 2 out of 5 assignments used, quality = 1.00: HG3 MET 74 + QD2 LEU 42 OK 100 100 100 100 3.9-5.0 3.4/10341=64, ~9605=57...(18) HB3 TYR 41 + QD2 LEU 42 OK 92 92 100 100 3.1-4.8 4.1/1943=70, 8877/2.1=34...(19) HB3 ASP 77 - QD2 LEU 42 far 14 95 15 - 6.3-9.7 HB VAL 58 - QD2 LEU 42 far 0 92 0 - 9.5-10.6 HB3 ASP 65 - QD2 LEU 42 far 0 88 0 - 9.9-11.8 Violated in 0 structures by 0.00 A. Peak 10596 from cnoeabs.peaks (2.62, 1.90, 26.36 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: HG3 MET 74 + HG LEU 42 OK 100 100 100 100 3.5-6.3 3.4/10340=96, ~9605=82...(23) HB3 TYR 41 + HG LEU 42 OK 96 96 100 100 3.9-5.1 4.1/6675=99...(22) HB3 ASP 77 - HG LEU 42 far 0 98 0 - 9.6-12.8 Violated in 0 structures by 0.00 A. Peak 10597 from cnoeabs.peaks (3.87, 0.69, 25.64 ppm; 4.05 A): 6 out of 11 assignments used, quality = 1.00: HA LEU 38 + QD1 LEU 42 OK 97 100 100 98 2.9-4.8 3.6/8947=40, 8855/2.1=27...(27) HA ALA 71 + QD1 LEU 42 OK 90 91 100 99 1.9-2.9 3.0/10414=49...(31) HA ALA 67 + QD1 LEU 42 OK 89 98 100 91 3.0-4.4 3141/9544=25...(27) HA GLU 43 + QD1 LEU 42 OK 71 96 75 99 5.2-5.6 2.9/6690=53...(21) HA ALA 89 + QD1 LEU 14 OK 62 63 100 98 3.6-4.1 3.0/8402=49, 2.1/622=27...(19) HB2 SER 85 + QD1 LEU 14 OK 57 60 100 96 4.4-4.9 1.8/9876=44...(20) HA LYS 40 - QD1 LEU 42 poor 20 100 20 - 5.5-6.1 HA GLU 35 - QD1 LEU 42 poor 18 92 20 - 5.1-6.8 HA LYS 12 - QD1 LEU 14 far 0 93 0 - 6.9-7.1 HA ARG 91 - QD1 LEU 14 far 0 84 0 - 8.1-8.6 HB3 SER 49 - QD1 LEU 42 far 0 99 0 - 8.3-12.9 Violated in 0 structures by 0.00 A. Peak 10598 from cnoeabs.peaks (3.88, 1.90, 26.36 ppm; 5.67 A): 5 out of 6 assignments used, quality = 1.00: HA LEU 38 + HG LEU 42 OK 100 100 100 100 3.2-4.5 1623/8882=51...(29) HA GLU 43 + HG LEU 42 OK 100 100 100 100 5.7-6.5 2.9/1934=75, ~6690=64...(18) HA LYS 40 + HG LEU 42 OK 91 99 100 92 4.9-6.6 3.6/8882=61...(12) HA ALA 67 + HG LEU 42 OK 79 90 100 89 5.0-6.6 2.1/1930=31, ~1946=22...(23) HA ALA 71 + HG LEU 42 OK 76 77 100 99 4.6-5.7 ~10414=62...(19) HA GLU 35 - HG LEU 42 far 5 99 5 - 7.1-8.6 Violated in 0 structures by 0.00 A. Peak 10599 from cnoeabs.peaks (1.05, 0.77, 21.93 ppm; 4.03 A): 1 out of 4 assignments used, quality = 0.56: HG12 ILE 76 + QD2 LEU 42 OK 56 68 85 98 4.5-6.1 9667/2.1=40, ~10286=34...(31) HG12 ILE 52 - QD2 LEU 42 far 0 98 0 - 5.8-9.1 HB3 LEU 55 - QD2 LEU 42 far 0 84 0 - 6.7-8.8 HB3 ARG 81 - QD2 LEU 42 far 0 100 0 - 8.7-9.9 Violated in 20 structures by 1.21 A. Peak 10600 from cnoeabs.peaks (6.67, 0.77, 21.93 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.90: QD PHE 45 + QD2 LEU 42 OK 90 98 100 92 2.4-3.8 8928/1944=49...(18) Violated in 2 structures by 0.01 A. Peak 10601 from cnoeabs.peaks (4.55, 3.70, 58.24 ppm; 5.38 A): 1 out of 2 assignments used, quality = 0.77: HA PHE 45 + HA LEU 42 OK 77 77 100 100 5.3-5.9 3.0/6719=89, 3.7/8928=81...(12) HA ASP 77 - HA LEU 42 far 0 93 0 - 8.7-10.0 Violated in 18 structures by 0.19 A. Peak 10602 from cnoeabs.peaks (8.06, 3.70, 58.24 ppm; 5.13 A): 1 out of 3 assignments used, quality = 0.63: H ARG 46 + HA LEU 42 OK 63 63 100 100 4.0-5.0 4.6/6719=63, 4.8/8928=62...(15) H LYS 39 - HA LEU 42 far 0 88 0 - 7.1-7.6 H GLU 75 - HA LEU 42 far 0 96 0 - 8.6-9.7 Violated in 0 structures by 0.00 A. Peak 10603 from cnoeabs.peaks (1.66, 2.32, 36.31 ppm; 4.55 A): 6 out of 41 assignments used, quality = 0.96: HB2 LYS 40 + HG3 GLU 43 OK 74 94 80 98 5.0-6.9 3.0/1956=32, 4.1/1990=21...(32) HD3 LYS 39 + HG3 GLU 43 OK 44 88 55 90 4.8-6.8 3.0/10574=48...(12) HD2 LYS 20 + HG2 GLU 16 OK 35 58 85 71 2.7-7.8 12145/3.0=22, ~10461=14...(13) HD2 LYS 68 + HG3 GLU 69 OK 28 41 95 73 3.5-6.5 7128/7136=21...(10) HD2 LYS 20 + HG3 GLU 16 OK 28 45 85 73 4.1-7.7 12146/3.0=22, ~10461=14...(14) HD3 LYS 68 + HG3 GLU 69 OK 21 40 75 70 4.3-7.7 7128/7136=17, ~4538=14...(10) HG2 LYS 68 - HG3 GLU 69 poor 20 35 75 76 2.1-6.8 7128/7136=21, ~4538=17...(10) HB3 LYS 40 - HG3 GLU 43 poor 19 93 20 - 5.6-7.3 HD3 LYS 12 - HG2 GLU 16 poor 17 34 50 - 2.7-9.7 HD2 LYS 39 - HG3 GLU 43 far 15 99 15 - 5.2-7.5 HG LEU 70 - HG3 GLU 69 poor 13 25 55 - 5.6-6.6 HD3 LYS 12 - HG3 GLU 16 poor 13 25 50 - 2.0-8.9 HD3 LYS 66 - HG3 GLU 69 poor 11 22 50 - 4.9-6.9 HD3 LYS 20 - HG3 GLU 16 poor 9 46 20 - 3.7-8.5 HD3 LYS 20 - HG2 GLU 16 far 9 60 15 - 2.0-8.5 HD2 LYS 12 - HG3 GLU 16 lone 4 25 95 17 2.5-8.2 ~10186=5, 3.0/10604=3...(7) HD2 LYS 12 - HG2 GLU 16 lone 3 34 95 11 2.2-8.9 657/10606=3, 3.0/10604=3...(4) HG3 LYS 20 - HG2 GLU 16 far 3 60 5 - 4.4-8.9 HD2 LYS 73 - HG3 GLU 69 far 2 44 5 - 5.6-8.8 HG12 ILE 15 - HG2 GLU 16 far 2 42 5 - 6.0-8.5 HB ILE 76 - HG3 GLU 43 far 0 92 0 - 6.1-8.4 HG3 LYS 20 - HG3 GLU 16 far 0 46 0 - 6.1-9.3 HG12 ILE 15 - HG3 GLU 16 far 0 32 0 - 6.3-7.5 HD3 LYS 47 - HG3 GLU 43 far 0 95 0 - 6.3-9.8 HD3 LYS 73 - HG3 GLU 69 far 0 44 0 - 6.5-9.6 HD2 LYS 47 - HG3 GLU 43 far 0 96 0 - 6.5-10.3 HD3 LYS 13 - HG3 GLU 16 far 0 23 0 - 6.6-8.8 HD2 LYS 13 - HG3 GLU 16 far 0 25 0 - 6.6-8.5 HD3 LYS 66 - HG2 GLU 63 far 0 21 0 - 7.0-8.6 HG2 PRO 86 - HG3 GLU 16 far 0 33 0 - 7.1-10.2 HD2 LYS 13 - HG2 GLU 16 far 0 34 0 - 7.4-9.1 HD3 LYS 13 - HG2 GLU 16 far 0 31 0 - 7.6-9.9 HD2 LYS 73 - HG3 GLU 43 far 0 100 0 - 8.3-10.7 HG LEU 70 - HG3 GLU 43 far 0 70 0 - 8.4-9.9 HD3 LYS 73 - HG3 GLU 43 far 0 100 0 - 8.5-10.9 HG2 PRO 86 - HG2 GLU 16 far 0 44 0 - 8.5-10.8 HD3 LYS 90 - HG3 GLU 16 far 0 29 0 - 9.1-12.8 HD3 LYS 90 - HG2 GLU 16 far 0 39 0 - 9.2-13.0 HD2 LYS 39 - HG3 GLU 69 far 0 42 0 - 9.5-13.2 HD3 LYS 68 - HG2 GLU 63 far 0 39 0 - 9.6-12.9 HG LEU 70 - HG2 GLU 63 far 0 24 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 10604 from cnoeabs.peaks (1.47, 2.32, 36.31 ppm; 4.56 A): 1 out of 36 assignments used, quality = 0.77: HG3 LYS 39 + HG3 GLU 43 OK 77 84 95 97 3.1-6.1 12073/10280=52, 10574=46...(21) HG13 ILE 76 - HG3 GLU 43 poor 15 75 20 - 5.0-7.0 HG2 LYS 66 - HG2 GLU 63 poor 15 32 75 62 4.9-7.1 9459/3.8=31, ~12162=11...(7) HG3 LYS 66 - HG2 GLU 63 poor 13 30 80 53 5.2-8.2 9459/3.8=30...(7) HG2 LYS 13 - HG3 GLU 16 poor 9 24 35 - 5.8-6.6 HG2 LYS 12 - HG3 GLU 16 poor 6 38 70 23 3.1-8.5 8473/6240=10...(7) HG2 LYS 20 - HG2 GLU 16 far 6 60 10 - 3.9-7.5 HG2 LYS 12 - HG2 GLU 16 poor 5 50 45 21 4.0-9.7 8473/6239=11...(3) HG2 LYS 20 - HG3 GLU 16 far 2 46 5 - 5.5-7.8 HD2 LYS 82 - HG2 GLU 63 far 2 41 5 - 5.3-8.8 HG2 LYS 66 - HG3 GLU 69 far 2 33 5 - 5.7-8.9 HB3 LEU 64 - HG2 GLU 63 far 2 33 5 - 4.5-6.9 HG2 LYS 73 - HG3 GLU 69 far 2 32 5 - 4.4-7.7 HD3 LYS 40 - HG3 GLU 43 far 0 100 0 - 6.2-8.4 HD2 LYS 40 - HG3 GLU 43 far 0 100 0 - 6.2-8.2 HG2 LYS 13 - HG2 GLU 16 far 0 33 0 - 6.4-7.9 HG LEU 64 - HG3 GLU 69 far 0 40 0 - 6.4-10.0 HG3 LYS 13 - HG3 GLU 16 far 0 31 0 - 6.5-7.8 HG2 LYS 47 - HG3 GLU 43 far 0 87 0 - 6.6-10.5 HG LEU 64 - HG2 GLU 63 far 0 39 0 - 6.8-8.2 HG LEU 38 - HG2 GLU 63 far 0 41 0 - 7.1-10.4 HG3 LYS 66 - HG3 GLU 69 far 0 31 0 - 7.1-8.6 HG3 LYS 13 - HG2 GLU 16 far 0 41 0 - 7.2-8.5 HG LEU 29 - HG2 GLU 16 far 0 39 0 - 7.6-9.9 HB2 LEU 38 - HG3 GLU 43 far 0 98 0 - 8.0-8.9 HG LEU 38 - HG3 GLU 43 far 0 99 0 - 8.2-10.5 HG LEU 38 - HG3 GLU 69 far 0 43 0 - 8.3-11.7 HB2 LEU 38 - HG2 GLU 63 far 0 40 0 - 8.4-11.1 HG LEU 29 - HG3 GLU 16 far 0 29 0 - 8.6-11.2 HG2 LYS 73 - HG3 GLU 43 far 0 85 0 - 8.9-10.8 QB ALA 22 - HG2 GLU 16 far 0 39 0 - 8.9-10.8 HB3 LEU 64 - HG3 GLU 69 far 0 34 0 - 9.0-12.2 HB2 LEU 38 - HG3 GLU 69 far 0 41 0 - 9.5-10.6 HG3 LYS 39 - HG3 GLU 69 far 0 31 0 - 9.5-13.5 QB ALA 22 - HG3 GLU 16 far 0 29 0 - 9.7-11.2 HG13 ILE 52 - HG3 GLU 43 far 0 99 0 - 9.9-12.9 Violated in 6 structures by 0.40 A. Peak 10605 from cnoeabs.peaks (1.33, 2.32, 36.31 ppm; 4.65 A): 4 out of 16 assignments used, quality = 1.00: HG2 LYS 39 + HG3 GLU 43 OK 98 99 100 99 3.3-5.6 1.8/10574=59...(19) HB3 LEU 42 + HG3 GLU 43 OK 69 73 100 94 4.5-5.4 4.6/6696=59...(12) HG3 LYS 68 + HG3 GLU 69 OK 30 40 85 89 3.0-6.4 3042/7136=29...(14) HG3 LYS 40 + HG3 GLU 43 OK 30 87 40 86 5.1-7.1 3.8/1956=28...(12) QB ALA 67 - HG2 GLU 63 far 4 42 10 - 6.0-7.9 HB2 LEU 70 - HG3 GLU 43 far 0 70 0 - 6.4-8.3 QB ALA 67 - HG3 GLU 69 far 0 44 0 - 6.4-8.1 HB2 LEU 70 - HG3 GLU 69 far 0 25 0 - 6.6-7.4 HG12 ILE 8 - HG2 GLU 63 far 0 29 0 - 6.7-7.9 HG LEU 14 - HG3 GLU 16 far 0 43 0 - 6.7-8.3 HB2 LYS 82 - HG2 GLU 63 far 0 41 0 - 6.9-9.0 HG LEU 14 - HG2 GLU 16 far 0 57 0 - 7.1-8.8 QB ALA 89 - HG3 GLU 16 far 0 48 0 - 7.2-9.1 QB ALA 89 - HG2 GLU 16 far 0 62 0 - 7.8-8.9 QB ALA 67 - HG3 GLU 43 far 0 100 0 - 8.1-9.9 HG2 LYS 39 - HG3 GLU 69 far 0 42 0 - 9.9-13.3 Violated in 0 structures by 0.00 A. Peak 10606 from cnoeabs.peaks (0.81, 2.32, 36.31 ppm; 4.23 A): 5 out of 26 assignments used, quality = 0.97: QD1 ILE 76 + HG3 GLU 43 OK 77 100 100 77 2.7-4.5 9604/10280=37...(11) QG2 ILE 15 + HG2 GLU 16 OK 54 62 95 92 2.8-5.9 660/6239=56, 8530/689=53...(10) QG2 ILE 15 + HG3 GLU 16 OK 43 48 100 89 3.0-5.6 8530/4.1=51, 660/6240=50...(9) QD2 LEU 70 + HG3 GLU 69 OK 35 44 90 89 3.9-6.7 3166/7148=33, ~10802=23...(16) QG2 ILE 8 + HG2 GLU 63 OK 32 35 100 92 3.2-4.2 10746/3.0=40...(13) QD2 LEU 38 - HG2 GLU 63 far 6 37 15 - 5.4-8.8 QD1 LEU 70 - HG3 GLU 43 far 5 99 5 - 5.7-7.4 QG2 ILE 7 - HG2 GLU 16 far 3 61 5 - 5.6-8.4 QD1 LEU 70 - HG3 GLU 69 far 2 42 5 - 4.9-7.3 QD2 LEU 70 - HG3 GLU 43 far 0 100 0 - 5.9-8.4 QG2 ILE 7 - HG3 GLU 16 far 0 47 0 - 6.3-7.9 QD2 LEU 38 - HG3 GLU 69 far 0 39 0 - 6.7-9.6 QD1 LEU 6 - HG3 GLU 43 far 0 65 0 - 7.4-9.6 QD2 LEU 38 - HG3 GLU 43 far 0 96 0 - 7.4-9.2 QG2 VAL 32 - HG2 GLU 63 far 0 31 0 - 7.4-8.8 QD1 ILE 93 - HG2 GLU 16 far 0 33 0 - 7.5-9.7 QD1 ILE 93 - HG3 GLU 16 far 0 24 0 - 7.7-10.5 QG2 ILE 52 - HG3 GLU 43 far 0 81 0 - 7.8-11.0 QD1 LEU 70 - HG2 GLU 63 far 0 41 0 - 8.3-10.6 QG2 VAL 32 - HG3 GLU 43 far 0 85 0 - 8.6-9.8 QG2 ILE 7 - HG2 GLU 63 far 0 41 0 - 8.7-9.2 QD1 LEU 57 - HG2 GLU 63 far 0 34 0 - 8.9-10.3 QD2 LEU 70 - HG2 GLU 63 far 0 42 0 - 9.1-10.9 QD2 LEU 103 - HG3 GLU 69 far 0 36 0 - 9.2-21.3 QD2 LEU 57 - HG2 GLU 63 far 0 40 0 - 9.4-10.7 QD1 LEU 6 - HG2 GLU 63 far 0 22 0 - 9.6-12.4 Violated in 0 structures by 0.00 A. Peak 10607 from cnoeabs.peaks (0.70, 2.32, 36.31 ppm; 4.29 A): 4 out of 26 assignments used, quality = 0.96: QD1 LEU 42 + HG3 GLU 43 OK 86 95 100 91 4.3-4.8 6690/6696=50...(11) QG1 VAL 58 + HG2 GLU 63 OK 38 38 100 100 3.7-4.6 9381/3.0=62...(23) QD1 ILE 8 + HG2 GLU 63 OK 36 42 95 90 4.5-5.8 8308/3.0=49, 9462/3.0=23...(13) QG2 VAL 58 + HG2 GLU 63 OK 27 27 100 100 2.9-4.6 ~10704=43, 10220/3.0=43...(21) QD1 LEU 64 - HG2 GLU 63 far 0 22 0 - 5.8-7.7 QD2 LEU 14 - HG3 GLU 16 far 0 48 0 - 6.1-7.4 QD2 LEU 14 - HG2 GLU 16 far 0 62 0 - 6.1-7.3 QD1 LEU 64 - HG3 GLU 69 far 0 23 0 - 6.8-9.9 QG2 VAL 78 - HG3 GLU 69 far 0 39 0 - 7.1-8.3 QD1 LEU 14 - HG3 GLU 16 far 0 33 0 - 7.2-8.6 QD1 ILE 52 - HG3 GLU 43 far 0 99 0 - 7.3-8.9 QD1 LEU 42 - HG3 GLU 69 far 0 38 0 - 7.5-8.7 QD1 LEU 14 - HG2 GLU 16 far 0 44 0 - 7.8-8.8 QD1 ILE 56 - HG2 GLU 63 far 0 42 0 - 7.9-10.8 QG2 VAL 78 - HG3 GLU 43 far 0 96 0 - 8.0-9.4 QD1 ILE 56 - HG3 GLU 69 far 0 44 0 - 8.0-10.6 QD2 LEU 6 - HG3 GLU 43 far 0 93 0 - 8.0-9.5 QD1 ILE 8 - HG3 GLU 69 far 0 44 0 - 8.4-10.4 QG1 VAL 58 - HG3 GLU 69 far 0 39 0 - 8.4-10.3 QD2 LEU 14 - HG2 GLU 63 far 0 42 0 - 8.4-9.5 QD1 ILE 56 - HG3 GLU 43 far 0 100 0 - 8.6-10.3 QG2 VAL 58 - HG3 GLU 69 far 0 28 0 - 8.7-11.3 QD1 LEU 14 - HG2 GLU 63 far 0 29 0 - 9.0-10.3 HG13 ILE 56 - HG3 GLU 69 far 0 42 0 - 9.1-13.0 QG1 VAL 5 - HG2 GLU 16 far 0 51 0 - 9.7-11.3 HG13 ILE 56 - HG2 GLU 63 far 0 41 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 10608 from cnoeabs.peaks (0.80, 2.06, 29.24 ppm; 3.95 A): 5 out of 36 assignments used, quality = 1.00: QG2 ILE 15 + HB2 GLU 16 OK 90 95 100 95 4.2-5.5 8530/3.0=59, 660/6237=56...(12) QD1 ILE 76 + HB3 GLU 43 OK 82 100 100 82 4.3-5.4 10609/3.0=18...(18) QD2 LEU 70 + HB3 GLU 35 OK 78 84 100 92 1.9-4.6 9541/3.0=23, 10278=17...(30) QD1 LEU 70 + HB3 GLU 35 OK 73 79 100 92 1.9-3.9 9549/1.8=24...(26) QD2 LEU 38 + HB3 GLU 35 OK 62 72 90 95 3.6-6.4 3.1/1629=24, 2.1/1661=23...(32) QD2 LEU 103 - HB3 GLU 99 poor 14 46 30 - 2.3-9.5 QD2 LEU 103 - HB2 GLU 99 lone 0 58 45 1 2.7-8.8 QD2 LEU 103 - HB2 GLU 98 far 0 63 0 - 5.5-12.4 QD2 LEU 42 - HB3 GLU 43 far 0 68 0 - 6.3-7.5 QD2 LEU 103 - HB3 GLU 98 far 0 61 0 - 6.4-13.6 QG2 ILE 8 - HB3 GLU 35 far 0 78 0 - 6.5-8.5 QD1 ILE 93 - HB2 GLU 23 far 0 49 0 - 6.6-9.0 QD1 LEU 27 - HB2 GLU 99 far 0 47 0 - 6.7-9.3 QD1 LEU 27 - HB2 GLU 98 far 0 51 0 - 6.9-7.8 QD1 LEU 27 - HB2 GLU 23 far 0 47 0 - 6.9-8.3 QG2 ILE 7 - HB2 GLU 16 far 0 96 0 - 7.0-8.2 QD1 LEU 27 - HB3 GLU 99 far 0 37 0 - 7.2-9.6 QD2 LEU 70 - HB3 GLU 43 far 0 100 0 - 7.3-10.4 QD2 LEU 42 - HB3 GLU 35 far 0 51 0 - 7.4-10.2 QG2 VAL 32 - HB3 GLU 35 far 0 59 0 - 7.5-8.4 QD1 LEU 70 - HB3 GLU 43 far 0 97 0 - 7.6-9.1 QD1 LEU 27 - HB3 GLU 98 far 0 49 0 - 7.6-8.4 QD1 LEU 6 - HB3 GLU 43 far 0 75 0 - 7.7-9.2 QD1 ILE 93 - HB2 GLU 16 far 0 67 0 - 7.8-9.3 QG2 ILE 52 - HB3 GLU 43 far 0 88 0 - 8.2-10.5 QD2 LEU 38 - HB3 GLU 43 far 0 91 0 - 8.3-11.1 QD1 LEU 6 - HB3 GLU 35 far 0 57 0 - 8.3-11.4 QD2 LEU 57 - HB2 GLU 99 far 0 75 0 - 8.6-11.4 QD2 LEU 57 - HB3 GLU 99 far 0 60 0 - 8.7-12.1 QG2 VAL 32 - HB3 GLU 43 far 0 77 0 - 8.9-10.8 QG2 ILE 15 - HB2 GLU 23 far 0 74 0 - 9.0-10.9 QD1 ILE 76 - HB3 GLU 35 far 0 85 0 - 9.1-11.8 QD1 LEU 57 - HB3 GLU 99 far 0 45 0 - 9.3-12.5 QD1 LEU 57 - HB2 GLU 99 far 0 57 0 - 9.5-11.8 QD1 ILE 93 - HB2 GLU 99 far 0 48 0 - 9.8-12.3 QD1 ILE 93 - HB2 GLU 98 far 0 52 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 10609 from cnoeabs.peaks (0.81, 3.88, 59.12 ppm; 3.50 A): 4 out of 27 assignments used, quality = 1.00: QD1 ILE 76 + HA GLU 43 OK 95 100 100 95 2.3-3.4 9020/10171=27...(29) QD2 LEU 38 + HA GLU 35 OK 85 92 100 93 1.9-4.7 4.5/12057=29...(32) QD1 LEU 70 + HA GLU 35 OK 84 96 100 87 1.9-4.2 2.1/9541=22, 9540=18...(31) QD2 LEU 70 + HA GLU 35 OK 79 98 95 85 2.7-5.0 9541=27, 2.1/9540=14...(30) QD1 ILE 93 - HA ARG 91 far 0 62 0 - 5.4-5.9 QD1 ILE 76 - HA LYS 40 far 0 81 0 - 5.4-6.7 QG2 ILE 8 - HA GLU 35 far 0 88 0 - 5.5-6.5 QG2 VAL 32 - HA GLU 35 far 0 81 0 - 5.8-6.2 QD2 LEU 70 - HA LYS 40 far 0 82 0 - 6.0-9.0 QD1 LEU 70 - HA LYS 40 far 0 79 0 - 6.0-7.9 QG2 ILE 52 - HA GLU 43 far 0 81 0 - 6.1-9.0 QD1 LEU 6 - HA GLU 35 far 0 61 0 - 6.8-9.7 QD1 LEU 6 - HA LYS 40 far 0 47 0 - 6.9-8.5 QD1 LEU 57 - HA ARG 91 far 0 89 0 - 6.9-8.1 QD2 LEU 38 - HA LYS 40 far 0 74 0 - 7.0-8.5 QD2 LEU 103 - HA ARG 91 far 0 90 0 - 7.1-15.1 QG2 VAL 32 - HA LYS 40 far 0 63 0 - 7.5-8.6 QD1 LEU 70 - HA GLU 43 far 0 99 0 - 7.7-9.3 QD1 LEU 6 - HA GLU 43 far 0 65 0 - 7.8-9.2 QD2 LEU 57 - HA ARG 91 far 0 97 0 - 7.8-8.4 QD1 LEU 27 - HA ARG 91 far 0 60 0 - 7.8-8.8 QD2 LEU 70 - HA GLU 43 far 0 100 0 - 7.9-10.1 QD2 LEU 38 - HA GLU 43 far 0 96 0 - 8.3-10.8 QD1 ILE 76 - HA GLU 35 far 0 97 0 - 8.9-10.5 QD2 LEU 2 - HA GLU 43 far 0 100 0 - 9.2-12.3 QG2 VAL 32 - HA GLU 43 far 0 85 0 - 9.7-10.8 QG2 ILE 52 - HA LYS 40 far 0 59 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 10611 from cnoeabs.peaks (1.34, 4.08, 58.43 ppm; 4.77 A): 4 out of 13 assignments used, quality = 1.00: QB ALA 67 + HA LYS 66 OK 100 100 100 100 5.0-5.0 9505/3.0=78...(20) QB ALA 25 + HA LYS 24 OK 67 68 100 99 4.9-5.0 4.8=99 HB2 LEU 70 + HA LYS 66 OK 43 77 60 92 5.1-6.9 3.9/7139=55, 3.0/3831=28...(14) HB3 LEU 42 + HA ARG 46 OK 26 50 60 86 5.5-6.7 10286/9639=56, ~10602=34...(11) QB ALA 89 - HA GLU 17 far 6 59 10 - 5.9-6.7 HG LEU 14 - HA GLU 17 far 0 56 0 - 6.6-7.3 HG3 LYS 68 - HA LYS 66 far 0 99 0 - 6.8-7.9 HB3 LEU 27 - HA LYS 24 far 0 67 0 - 8.8-9.6 HB3 LEU 2 - HA ARG 46 far 0 86 0 - 9.0-11.8 HG2 LYS 39 - HA LYS 66 far 0 100 0 - 9.0-11.0 QB ALA 25 - HA GLU 17 far 0 59 0 - 9.1-10.2 HG12 ILE 8 - HA LYS 66 far 0 87 0 - 9.2-10.9 HG2 LYS 94 - HA LYS 24 far 0 68 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 10612 from cnoeabs.peaks (2.65, 4.07, 58.19 ppm; 5.24 A): 2 out of 4 assignments used, quality = 0.90: HB3 ASP 65 + HA LYS 66 OK 86 86 100 100 3.8-5.5 7067/3.0=94, ~7066=73...(15) HG3 MET 74 + HA ARG 46 OK 26 90 55 53 5.6-8.1 10879/9639=23, 10863=9...(10) HB3 ASP 77 - HA ARG 46 poor 20 99 20 - 5.6-9.0 HB3 ASN 51 - HA ARG 46 far 0 77 0 - 9.2-11.9 Violated in 1 structures by 0.01 A. Peak 10613 from cnoeabs.peaks (2.97, 1.96, 29.74 ppm; 5.33 A): 4 out of 8 assignments used, quality = 0.98: HB3 PHE 45 + HB3 ARG 46 OK 74 100 100 74 4.2-6.6 4.5/6750=43, 1057/3.0=15...(9) HB3 PHE 45 + HB2 ARG 46 OK 68 92 100 74 4.1-6.8 6744/4.0=42, 1057/3.0=15...(10) HB2 PHE 45 + HB2 ARG 46 OK 62 84 100 74 4.1-6.7 4.5/6750=41, 6777/4.7=14...(10) HB2 PHE 45 + HB3 ARG 46 OK 46 96 65 75 4.3-7.1 4.5/6750=43, 6776/4.7=14...(9) HE2 LYS 47 - HB2 ARG 46 far 14 91 15 - 4.4-9.5 HE3 LYS 47 - HB3 ARG 46 far 5 100 5 - 5.4-9.0 HE2 LYS 47 - HB3 ARG 46 far 5 100 5 - 5.6-9.1 HE3 LYS 47 - HB2 ARG 46 far 5 91 5 - 4.1-9.6 Violated in 0 structures by 0.00 A. Peak 10615 from cnoeabs.peaks (3.93, 1.62, 25.00 ppm; 4.97 A): 1 out of 4 assignments used, quality = 1.00: HA GLU 44 + HG3 LYS 47 OK 100 100 100 100 2.4-5.3 12089=98, 12088/1.8=94...(26) HA GLU 63 - HG2 LYS 68 far 0 55 0 - 8.3-10.3 HB3 SER 9 - HG3 LYS 12 far 0 62 0 - 8.3-11.4 HA TYR 41 - HG3 LYS 47 far 0 100 0 - 8.7-10.9 Violated in 2 structures by 0.02 A. Peak 10616 from cnoeabs.peaks (3.92, 1.49, 25.00 ppm; 5.10 A): 4 out of 17 assignments used, quality = 0.98: HA GLU 44 + HG2 LYS 47 OK 93 93 100 100 2.2-6.6 12088=100, 12089/1.8=94...(23) HA3 GLY 101 + HG3 LYS 53 OK 48 58 100 82 2.6-5.7 12004/3.9=20...(19) HA3 GLY 101 + HG2 LYS 53 OK 39 47 100 82 2.0-6.4 12004/3.9=20...(17) HA GLU 43 + HG2 LYS 47 OK 28 68 80 52 4.6-8.0 6757/6772=28...(7) HB2 SER 102 - HG3 LYS 53 far 6 59 10 - 5.5-10.8 HB2 SER 102 - HG2 LYS 53 far 5 48 10 - 6.1-11.8 HB2 SER 97 - HG3 LYS 24 far 0 59 0 - 7.1-10.2 HB3 SER 9 - HG3 LYS 13 far 0 98 0 - 7.3-9.6 HB2 SER 97 - HG3 LYS 53 far 0 48 0 - 7.8-9.8 HB2 SER 85 - HG3 LYS 13 far 0 95 0 - 7.8-9.9 HA GLU 35 - HG3 LYS 33 far 0 60 0 - 7.9-8.7 HA TYR 41 - HG2 LYS 47 far 0 99 0 - 8.1-12.2 HB2 SER 97 - HG2 LYS 53 far 0 39 0 - 8.9-11.0 HA ARG 91 - HG3 LYS 24 far 0 62 0 - 9.1-12.4 HA GLU 35 - HG2 LYS 73 far 0 75 0 - 9.3-11.7 HA TYR 41 - HG3 LYS 33 far 0 86 0 - 9.5-10.8 HA GLU 63 - HG3 LYS 33 far 0 88 0 - 9.6-11.0 Violated in 0 structures by 0.00 A. Peak 10617 from cnoeabs.peaks (2.92, 2.30, 29.70 ppm; 5.84 A): 0 out of 1 assignment used, quality = 0.00: HB2 ASN 51 - HB2 GLU 48 far 0 84 0 - 7.6-11.1 Violated in 20 structures by 3.34 A. Peak 10619 from cnoeabs.peaks (3.86, 4.43, 55.95 ppm; 5.11 A): 1 out of 2 assignments used, quality = 1.00: HB3 SER 49 + HA GLU 48 OK 100 100 100 100 4.6-5.3 6805/6798=85...(16) HA GLU 43 - HA GLU 48 far 0 85 0 - 8.8-10.3 Violated in 16 structures by 0.11 A. Peak 10620 from cnoeabs.peaks (4.53, 2.30, 29.70 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.99: HA PHE 45 + HB2 GLU 48 OK 99 100 100 99 3.8-6.0 10190/4.0=68...(13) Violated in 9 structures by 0.23 A. Peak 10623 from cnoeabs.peaks (7.04, 2.43, 35.74 ppm; 6.14 A): 1 out of 3 assignments used, quality = 0.38: QD PHE 96 + HG3 GLU 99 OK 38 79 100 48 4.0-7.6 4318/10181=38...(3) HZ PHE 96 - HG3 GLU 99 poor 17 57 30 - 6.0-11.5 HE ARG 91 - HG3 GLU 17 far 0 43 0 - 7.7-13.0 Violated in 14 structures by 0.57 A. Peak 10624 from cnoeabs.peaks (6.91, 2.43, 33.91 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 50 + HG3 GLN 50 OK 100 100 100 100 3.6-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 10625 from cnoeabs.peaks (6.92, 2.40, 33.91 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: HE21 GLN 50 + HG2 GLN 50 OK 100 100 100 100 3.5-4.1 3.5=100 Violated in 0 structures by 0.00 A. Peak 10626 from cnoeabs.peaks (0.86, 2.43, 33.91 ppm; 5.35 A): 1 out of 7 assignments used, quality = 0.78: QD1 LEU 2 + HG3 GLN 50 OK 78 92 85 100 4.6-8.5 12293/2.9=75...(17) QD1 LEU 103 - HG2 GLN 72 far 10 98 10 - 6.4-18.0 QD1 LEU 38 - HG2 GLN 72 far 0 98 0 - 6.9-10.1 QG2 ILE 76 - HG3 GLN 50 far 0 91 0 - 7.1-10.4 QD2 LEU 103 - HG2 GLN 72 far 0 61 0 - 7.3-17.8 QG2 ILE 76 - HG2 GLN 72 far 0 86 0 - 7.6-9.6 QD2 LEU 64 - HG2 GLN 72 far 0 98 0 - 8.5-11.4 Violated in 16 structures by 0.82 A. Peak 10629 from cnoeabs.peaks (0.87, 2.02, 28.95 ppm; 4.98 A): 1 out of 13 assignments used, quality = 0.79: QD1 LEU 2 + HB2 GLN 50 OK 79 99 80 100 3.2-7.5 12293/1.8=73...(25) QD1 LEU 103 - HB2 GLU 98 far 4 41 10 - 6.2-13.7 QG2 ILE 76 - HB2 GLU 44 far 2 50 5 - 6.3-7.5 QD1 LEU 103 - HB3 GLU 98 far 2 43 5 - 6.3-14.8 QD1 LEU 2 - HB3 GLU 44 far 0 50 0 - 7.0-9.9 QD1 LEU 2 - HB2 GLU 44 far 0 50 0 - 7.1-10.5 QG2 ILE 76 - HB3 GLU 44 far 0 50 0 - 7.1-8.2 HG13 ILE 7 - HB3 GLU 17 far 0 77 0 - 7.2-10.1 QG2 ILE 76 - HB2 GLN 50 far 0 99 0 - 7.3-8.7 QD1 LEU 38 - HB2 GLU 44 far 0 47 0 - 8.0-11.0 QG1 VAL 32 - HB2 GLU 44 far 0 30 0 - 8.4-11.6 QD1 LEU 38 - HB3 GLU 44 far 0 47 0 - 9.3-11.2 QG1 VAL 32 - HB3 GLU 44 far 0 30 0 - 9.7-11.4 Violated in 6 structures by 0.43 A. Peak 10631 from cnoeabs.peaks (0.87, 2.67, 39.58 ppm; 5.35 A): 1 out of 2 assignments used, quality = 0.98: QD1 LEU 2 + HB3 ASN 51 OK 98 98 100 100 3.1-6.7 9126/3.5=55, 9120/3.5=52...(16) QG2 ILE 76 - HB3 ASN 51 far 0 98 0 - 8.2-9.5 Violated in 8 structures by 0.23 A. Peak 10632 from cnoeabs.peaks (2.30, 2.95, 39.58 ppm; 5.17 A): 0 out of 2 assignments used, quality = 0.00: HG2 GLU 48 - HB2 ASN 51 far 0 63 0 - 7.2-12.4 HB2 GLU 48 - HB2 ASN 51 far 0 100 0 - 7.6-11.1 Violated in 20 structures by 3.23 A. Peak 10633 from cnoeabs.peaks (2.43, 2.95, 39.58 ppm; 5.36 A): 3 out of 4 assignments used, quality = 1.00: HG3 MET 1 + HB2 ASN 51 OK 98 99 100 100 1.9-5.2 3.3/8030=83, 4.2/9131=68...(17) HG3 GLN 50 + HB2 ASN 51 OK 62 100 75 83 4.6-8.6 2312/6835=40...(11) HG2 GLN 50 + HB2 ASN 51 OK 38 79 60 80 4.4-7.8 2304/6835=29...(12) HG3 GLU 48 - HB2 ASN 51 far 0 100 0 - 7.1-11.0 Violated in 0 structures by 0.00 A. Peak 10634 from cnoeabs.peaks (1.65, 2.67, 39.58 ppm; 5.58 A): 1 out of 2 assignments used, quality = 0.57: HB ILE 52 + HB3 ASN 51 OK 57 88 65 99 5.1-7.8 3.8/6856=78, 2.1/9116=57...(12) HB3 LYS 53 - HB3 ASN 51 far 0 61 0 - 7.4-10.0 Violated in 16 structures by 1.14 A. Peak 10636 from cnoeabs.peaks (0.78, 2.95, 39.58 ppm; 5.37 A): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 52 + HB2 ASN 51 OK 99 100 100 100 4.5-6.1 2350/6855=74, ~10634=58...(18) QD2 LEU 2 + HB2 ASN 51 OK 80 84 95 100 3.4-7.0 ~10631=61, ~9126=47...(20) Violated in 1 structures by 0.01 A. Peak 10637 from cnoeabs.peaks (5.02, 0.78, 17.78 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.90: HA LYS 53 + QG2 ILE 52 OK 90 90 100 100 3.4-5.4 3.9/10852=72, ~2349=63...(26) Violated in 0 structures by 0.00 A. Peak 10639 from cnoeabs.peaks (1.53, 5.33, 59.69 ppm; 5.25 A): 6 out of 15 assignments used, quality = 1.00: HG12 ILE 56 + HA THR 80 OK 100 100 100 100 2.4-4.6 2.9/10293=92...(29) HG2 ARG 79 + HA THR 80 OK 99 100 100 100 4.1-6.7 ~7299=51, 3531/2.9=36...(21) HG3 ARG 79 + HA THR 80 OK 94 100 95 99 5.1-7.2 ~7299=51, 3531/2.9=36...(21) HG LEU 2 + HA ILE 52 OK 63 63 100 100 1.9-4.6 3.0/8046=81, 3.0/8047=74...(29) HD3 LYS 53 + HA ILE 52 OK 50 56 90 99 5.0-6.8 8027/8033=64...(14) HB2 LEU 3 + HA ILE 52 OK 27 55 50 99 6.1-7.3 3.1/8102=65, 3.0/8104=54...(12) HG LEU 6 - HA THR 80 far 10 100 10 - 6.5-9.1 HB3 LEU 103 - HA THR 80 far 0 100 0 - 6.8-16.1 HG LEU 57 - HA THR 80 far 0 79 0 - 7.0-8.3 HG2 ARG 79 - HA ILE 52 far 0 69 0 - 9.1-13.7 HB ILE 7 - HA THR 80 far 0 99 0 - 9.5-10.4 HD3 LYS 82 - HA THR 80 far 0 65 0 - 9.8-10.8 HG3 ARG 79 - HA ILE 52 far 0 69 0 - 9.9-14.2 HG2 LYS 66 - HA THR 80 far 0 59 0 - 9.9-11.7 HD3 LYS 53 - HA THR 80 far 0 90 0 - 10.0-12.8 Violated in 0 structures by 0.00 A. Peak 10640 from cnoeabs.peaks (0.89, 0.69, 14.38 ppm; 3.92 A): 2 out of 4 assignments used, quality = 1.00: QD1 LEU 2 + QD1 ILE 52 OK 99 99 100 100 2.1-4.2 12039/2.1=78...(48) QG2 ILE 76 + QD1 ILE 52 OK 97 99 100 98 1.9-4.3 10877=37, 9025/9027=27...(31) QD1 LEU 38 - QD1 ILE 52 far 0 73 0 - 8.1-10.7 QD1 LEU 103 - QD1 ILE 52 far 0 81 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 10641 from cnoeabs.peaks (2.04, 1.46, 27.19 ppm; 3.98 A): 3 out of 24 assignments used, quality = 0.86: HB3 LEU 38 + HG LEU 38 OK 70 70 100 100 2.2-2.8 3.0=100 HB3 GLU 35 + HG LEU 38 OK 38 55 75 92 4.3-7.1 ~10168=18, 1629/3.0=16...(34) HB3 GLU 48 + HG13 ILE 52 OK 25 100 25 100 4.2-9.0 9177/2.1=69, ~9040=41...(28) HB2 GLU 35 - HG LEU 38 poor 19 54 35 - 5.0-7.9 HG12 ILE 93 - HG LEU 29 poor 18 66 45 62 4.2-7.6 2.1/10327=25...(10) HB2 GLN 50 - HG13 ILE 52 far 5 91 5 - 4.8-8.8 HB2 MET 21 - HG LEU 29 far 3 66 5 - 5.2-9.6 HB3 GLU 17 - HG3 ARG 91 far 0 28 0 - 6.0-8.5 HB3 LYS 94 - HG3 ARG 91 far 0 46 0 - 6.1-9.1 HB3 GLU 88 - HG3 ARG 91 far 0 34 0 - 6.3-6.5 HB2 MET 21 - HG3 ARG 91 far 0 56 0 - 6.4-8.9 HB3 GLU 17 - HG LEU 29 far 0 34 0 - 7.2-10.9 HG2 GLU 28 - HG LEU 29 far 0 58 0 - 7.7-9.9 HB2 GLU 62 - HG LEU 64 far 0 44 0 - 8.0-9.0 HG12 ILE 93 - HG3 ARG 91 far 0 56 0 - 8.1-9.5 HG3 GLU 28 - HG LEU 29 far 0 58 0 - 8.1-9.9 HB2 GLU 16 - HG LEU 29 far 0 43 0 - 8.4-10.4 HB2 MET 74 - HG13 ILE 52 far 0 94 0 - 8.8-13.2 HG3 GLU 28 - HG13 ILE 52 far 0 93 0 - 8.8-14.4 HB3 GLU 43 - HG LEU 38 far 0 81 0 - 9.3-12.7 HB2 MET 74 - HG LEU 38 far 0 83 0 - 9.3-11.6 HB3 LEU 38 - HG LEU 64 far 0 46 0 - 9.3-11.7 HB2 GLU 62 - HG LEU 38 far 0 68 0 - 9.3-13.0 HG2 GLU 28 - HG13 ILE 52 far 0 93 0 - 9.5-13.8 Violated in 0 structures by 0.00 A. Peak 10642 from cnoeabs.peaks (2.30, 1.46, 27.19 ppm; 5.62 A): 5 out of 21 assignments used, quality = 1.00: HB2 TYR 4 + HG13 ILE 52 OK 84 100 85 100 4.2-7.9 2.5/9146=46, ~9148=39...(20) HB2 TYR 41 + HG LEU 38 OK 83 83 100 100 3.9-6.9 10549/2.1=72...(16) HB2 GLU 48 + HG13 ILE 52 OK 80 100 80 100 3.5-8.2 9040/2.1=95, ~9177=83...(33) HG2 GLU 37 + HG LEU 38 OK 40 52 80 97 5.7-9.0 ~8837=53, 6583/5.3=37...(18) HG2 GLU 48 + HG13 ILE 52 OK 38 63 60 100 2.3-8.2 ~9044=68, ~9177=67...(24) HG2 GLU 23 - HG LEU 29 poor 14 50 95 29 5.2-10.4 ~10464=20, 11013/2.1=4...(4) HD3 ARG 81 - HG LEU 64 far 6 61 10 - 6.5-8.0 HG2 GLU 63 - HG LEU 38 far 5 93 5 - 7.1-10.4 HG2 GLU 95 - HG3 ARG 91 far 4 43 10 - 6.6-9.0 HG2 GLU 63 - HG LEU 64 far 3 65 5 - 6.8-8.2 HG2 GLU 62 - HG LEU 38 far 0 61 0 - 7.4-11.9 HG3 GLU 62 - HG LEU 38 far 0 61 0 - 7.5-11.3 HB2 TYR 4 - HG LEU 29 far 0 67 0 - 7.7-10.1 HG2 GLU 62 - HG LEU 64 far 0 39 0 - 7.8-8.8 HG3 GLU 62 - HG LEU 64 far 0 39 0 - 7.8-8.7 HG3 GLU 43 - HG LEU 38 far 0 73 0 - 8.2-10.5 HG3 GLU 16 - HG LEU 29 far 0 67 0 - 8.6-11.2 HB2 TYR 41 - HG LEU 29 far 0 59 0 - 9.3-12.0 HB2 TYR 4 - HG LEU 38 far 0 92 0 - 9.7-13.2 HB2 TYR 41 - HG13 ILE 52 far 0 94 0 - 9.7-13.6 HG3 GLU 43 - HG13 ILE 52 far 0 84 0 - 9.9-12.9 Violated in 0 structures by 0.00 A. Peak 10643 from cnoeabs.peaks (2.04, 0.78, 17.78 ppm; 4.29 A): 2 out of 14 assignments used, quality = 1.00: HB3 GLU 48 + QG2 ILE 52 OK 99 99 100 100 1.9-5.1 9177/3.1=66...(31) HB2 GLN 50 + QG2 ILE 52 OK 74 96 85 91 3.0-6.1 4.6/9107=28, 9103/3.1=19...(19) HB3 LEU 38 - QG2 ILE 8 poor 19 42 45 - 4.7-7.3 HB3 MET 1 - QG2 ILE 52 poor 16 63 25 - 4.9-7.6 HB2 GLU 62 - QG2 ILE 8 far 0 53 0 - 6.1-7.8 HB2 GLU 35 - QG2 ILE 8 far 0 43 0 - 6.8-8.4 HB3 GLU 44 - QG2 ILE 52 far 0 59 0 - 7.2-9.0 HB2 MET 74 - QG2 ILE 52 far 0 88 0 - 7.2-11.2 HB2 GLU 44 - QG2 ILE 52 far 0 59 0 - 7.3-8.6 HG3 GLU 28 - QG2 ILE 52 far 0 87 0 - 7.5-11.5 QE MET 74 - QG2 ILE 52 far 0 61 0 - 7.8-10.1 HB3 GLU 43 - QG2 ILE 52 far 0 85 0 - 8.2-10.5 HG2 GLU 28 - QG2 ILE 52 far 0 87 0 - 8.4-12.0 QE MET 74 - QG2 ILE 8 far 0 35 0 - 8.9-11.2 Violated in 0 structures by 0.00 A. Peak 10644 from cnoeabs.peaks (2.05, 1.67, 42.16 ppm; 6.06 A): 2 out of 4 assignments used, quality = 1.00: HB3 GLU 48 + HB ILE 52 OK 100 100 100 100 3.3-7.5 9177/3.2=90, 12316=76...(29) HB2 GLN 50 + HB ILE 52 OK 63 77 85 97 4.9-8.6 4.6/9105=49...(14) HG3 GLU 28 - HB ILE 52 far 0 99 0 - 8.5-12.1 HG2 GLU 28 - HB ILE 52 far 0 99 0 - 9.2-13.1 Violated in 0 structures by 0.00 A. Peak 10645 from cnoeabs.peaks (2.31, 1.67, 42.16 ppm; 4.20 A): 3 out of 3 assignments used, quality = 0.89: HB2 GLU 48 + HB ILE 52 OK 69 98 70 100 3.2-6.5 9040/3.2=51...(34) HG2 GLU 48 + HB ILE 52 OK 48 88 55 99 2.2-7.3 3.0/12316=41, ~9044=32...(26) HB2 TYR 4 + HB ILE 52 OK 31 93 35 94 5.1-7.9 2.5/9142=31, ~9143=23...(20) Violated in 12 structures by 0.28 A. Peak 10646 from cnoeabs.peaks (4.25, 1.67, 42.16 ppm; 5.40 A): 1 out of 1 assignment used, quality = 1.00: HA SER 49 + HB ILE 52 OK 100 100 100 100 3.4-6.9 9053=99, 9057/2.1=88...(29) Violated in 4 structures by 0.24 A. Peak 10647 from cnoeabs.peaks (4.54, 0.78, 17.78 ppm; 4.10 A): 2 out of 4 assignments used, quality = 0.89: HA PHE 45 + QG2 ILE 52 OK 84 85 100 98 4.0-4.7 9170/3.1=60, 8996=46...(20) HA LYS 33 + QG2 ILE 8 OK 31 65 100 48 2.8-4.1 10519/3.1=16...(8) HA ASP 77 - QG2 ILE 52 poor 15 87 30 59 4.5-8.2 3.0/12317=18...(13) HA THR 84 - QG2 ILE 8 far 0 40 0 - 8.3-9.3 Violated in 0 structures by 0.00 A. Peak 10648 from cnoeabs.peaks (6.46, 5.16, 60.16 ppm; 5.39 A): 2 out of 2 assignments used, quality = 0.99: QE TYR 4 + HA VAL 54 OK 95 96 100 99 5.6-6.5 4.4/10204=63...(16) QD TYR 4 + HA VAL 54 OK 81 81 100 100 3.3-4.2 2.5/10204=86...(27) Violated in 0 structures by 0.00 A. Peak 10649 from cnoeabs.peaks (8.93, 0.65, 22.12 ppm; 5.64 A): 2 out of 3 assignments used, quality = 1.00: H VAL 5 + QG2 VAL 54 OK 99 99 100 100 4.8-5.7 6048/9239=79...(15) H ASP 77 + QG2 VAL 54 OK 61 63 100 96 3.7-4.7 4.3/11070=84...(11) H LEU 57 - QG2 VAL 54 far 0 100 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 10650 from cnoeabs.peaks (8.94, 0.76, 21.39 ppm; 6.12 A): 2 out of 4 assignments used, quality = 1.00: H LEU 57 + QG1 VAL 54 OK 98 100 100 98 6.0-6.6 9333/10663=78...(10) H VAL 5 + QG1 VAL 54 OK 95 95 100 100 3.1-4.3 6049/9245=77...(24) H VAL 5 - QG1 VAL 78 poor 15 75 20 - 7.5-8.3 H LEU 57 - QG1 VAL 78 far 0 82 0 - 8.2-9.5 Violated in 0 structures by 0.00 A. Peak 10651 from cnoeabs.peaks (1.71, 5.16, 60.16 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.87: HB3 LYS 53 + HA VAL 54 OK 87 87 100 100 4.1-5.5 ~6887=68, ~6886=54...(30) HB ILE 52 - HA VAL 54 poor 18 59 30 - 6.1-8.1 HB2 GLU 28 - HA VAL 54 far 4 71 5 - 6.3-8.2 HB2 LEU 2 - HA VAL 54 far 0 99 0 - 6.7-10.0 Violated in 1 structures by 0.02 A. Peak 10653 from cnoeabs.peaks (1.30, 0.76, 21.39 ppm; 3.53 A): 2 out of 16 assignments used, quality = 0.93: HB3 LEU 42 + QG1 VAL 54 OK 75 100 85 89 3.9-5.1 3.0/10657=39, 1925=21...(20) HB3 LEU 42 + QG1 VAL 78 OK 70 83 100 85 2.5-3.7 3.0/10657=22, 1925=18...(21) HG2 ARG 30 - QG1 VAL 54 far 10 98 10 - 4.3-7.1 QB ALA 67 - QG1 VAL 78 far 6 56 10 - 4.7-6.0 QB ALA 67 - QG1 VAL 54 far 4 75 5 - 4.7-6.2 HB3 LEU 27 - QG1 VAL 54 far 0 61 0 - 5.9-7.2 HB3 LEU 2 - QG1 VAL 54 far 0 82 0 - 7.1-10.1 HG2 LYS 39 - QG1 VAL 78 far 0 43 0 - 7.4-9.8 HG LEU 3 - QG1 VAL 54 far 0 100 0 - 7.4-8.0 HB3 LEU 2 - QG1 VAL 78 far 0 62 0 - 8.5-11.5 QB ALA 89 - QG1 VAL 54 far 0 71 0 - 8.5-9.3 HG2 ARG 30 - QG1 VAL 78 far 0 79 0 - 8.6-10.3 QB ALA 25 - QG1 VAL 54 far 0 71 0 - 8.6-9.6 HG LEU 3 - QG1 VAL 78 far 0 82 0 - 8.9-9.7 HG2 LYS 39 - QG1 VAL 54 far 0 59 0 - 9.1-10.4 HB3 LEU 27 - QG1 VAL 78 far 0 44 0 - 9.6-10.7 Violated in 1 structures by 0.00 A. Peak 10654 from cnoeabs.peaks (1.05, 0.76, 21.39 ppm; 4.03 A): 3 out of 8 assignments used, quality = 0.90: HB3 LEU 55 + QG1 VAL 54 OK 73 85 100 86 4.2-5.5 3.9/2504=52...(10) HG12 ILE 76 + QG1 VAL 78 OK 44 48 100 93 3.7-4.5 3.2/10906=34...(18) HG12 ILE 52 + QG1 VAL 54 OK 32 99 35 91 5.0-7.0 9240/2.1=66, 2365/4.0=16...(19) HG12 ILE 52 - QG1 VAL 78 poor 13 80 60 27 4.6-7.2 9240/2497=17...(4) HG12 ILE 76 - QG1 VAL 54 far 0 65 0 - 6.6-8.0 HB3 LEU 55 - QG1 VAL 78 far 0 65 0 - 6.7-7.7 HB3 ARG 81 - QG1 VAL 54 far 0 100 0 - 7.4-9.0 HB3 ARG 81 - QG1 VAL 78 far 0 83 0 - 9.0-9.7 Violated in 1 structures by 0.00 A. Peak 10655 from cnoeabs.peaks (1.65, 0.76, 21.39 ppm; 3.85 A): 3 out of 31 assignments used, quality = 0.99: HB3 LEU 6 + QG1 VAL 54 OK 91 100 100 91 3.2-4.4 6065/10663=40...(16) HB ILE 76 + QG1 VAL 78 OK 78 80 100 97 2.0-2.3 2.1/10906=40, ~10287=32...(20) HB ILE 76 + QG1 VAL 54 OK 35 99 40 88 4.8-6.4 ~11070=46, ~9233=34...(15) HB3 LYS 53 - QG1 VAL 78 far 0 56 0 - 5.4-7.1 HB ILE 52 - QG1 VAL 54 far 0 96 0 - 5.5-7.7 HB3 LYS 53 - QG1 VAL 54 far 0 75 0 - 5.6-6.9 HB3 ARG 79 - QG1 VAL 78 far 0 83 0 - 5.7-6.9 HB3 ARG 79 - QG1 VAL 54 far 0 100 0 - 5.8-7.6 HB3 LEU 6 - QG1 VAL 78 far 0 82 0 - 5.9-7.3 HB ILE 52 - QG1 VAL 78 far 0 76 0 - 6.4-7.9 HD3 LYS 68 - QG1 VAL 78 far 0 83 0 - 6.7-9.1 HG2 LYS 68 - QG1 VAL 78 far 0 79 0 - 6.7-8.8 HD2 LYS 68 - QG1 VAL 78 far 0 83 0 - 6.9-9.7 HB3 LYS 40 - QG1 VAL 54 far 0 79 0 - 8.3-9.6 HG2 LYS 68 - QG1 VAL 54 far 0 98 0 - 8.6-11.0 HD3 LYS 68 - QG1 VAL 54 far 0 100 0 - 8.7-11.2 HD2 LYS 39 - QG1 VAL 78 far 0 83 0 - 8.9-11.0 HD2 LYS 73 - QG1 VAL 78 far 0 78 0 - 9.0-10.3 HD3 LYS 39 - QG1 VAL 78 far 0 78 0 - 9.0-10.3 HG3 LYS 47 - QG1 VAL 78 far 0 54 0 - 9.1-11.9 HB3 LYS 40 - QG1 VAL 78 far 0 59 0 - 9.2-10.4 HB2 LYS 40 - QG1 VAL 54 far 0 99 0 - 9.3-10.5 HD3 LYS 73 - QG1 VAL 78 far 0 80 0 - 9.4-10.1 HD2 LYS 68 - QG1 VAL 54 far 0 100 0 - 9.4-12.0 HD2 LYS 39 - QG1 VAL 54 far 0 100 0 - 9.5-12.0 HB2 LYS 40 - QG1 VAL 78 far 0 81 0 - 9.5-10.8 HD3 LYS 47 - QG1 VAL 54 far 0 82 0 - 9.6-12.9 HG3 LYS 47 - QG1 VAL 54 far 0 73 0 - 9.7-12.3 HD3 LYS 39 - QG1 VAL 54 far 0 98 0 - 9.7-11.8 HD3 LYS 47 - QG1 VAL 78 far 0 62 0 - 9.9-12.6 HD2 LYS 47 - QG1 VAL 54 far 0 84 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10656 from cnoeabs.peaks (2.98, 0.76, 21.39 ppm; 4.91 A): 4 out of 7 assignments used, quality = 1.00: HB2 PHE 45 + QG1 VAL 54 OK 99 100 100 99 4.0-5.7 ~9222=61, 4.4/9226=50...(18) HB3 PHE 45 + QG1 VAL 54 OK 94 95 100 99 3.9-5.4 ~9222=61, 4.4/9226=50...(18) HB2 PHE 45 + QG1 VAL 78 OK 43 83 95 54 4.0-6.6 1907/10657=15...(8) HB3 PHE 45 + QG1 VAL 78 OK 38 75 95 54 3.7-6.4 1907/10657=14...(9) HE2 LYS 73 - QG1 VAL 78 far 0 53 0 - 8.4-11.5 HE3 LYS 73 - QG1 VAL 78 far 0 44 0 - 9.1-11.1 HE2 LYS 47 - QG1 VAL 54 far 0 99 0 - 10.0-12.5 Violated in 0 structures by 0.00 A. Peak 10657 from cnoeabs.peaks (3.71, 0.76, 21.39 ppm; 3.16 A): 2 out of 10 assignments used, quality = 0.85: HA LEU 42 + QG1 VAL 54 OK 75 99 100 75 3.0-4.3 1904=27, 3.0/10653=23...(15) HA LEU 42 + QG1 VAL 78 OK 43 80 85 63 3.9-4.7 3.0/10653=21, 1904=15...(14) HB THR 80 - QG1 VAL 78 far 0 49 0 - 7.3-8.3 HB THR 80 - QG1 VAL 54 far 0 68 0 - 8.0-9.4 HA LEU 64 - QG1 VAL 78 far 0 48 0 - 8.7-9.6 HA LEU 64 - QG1 VAL 54 far 0 65 0 - 8.8-10.1 HA3 GLY 100 - QG1 VAL 54 far 0 100 0 - 8.9-12.1 HA GLU 37 - QG1 VAL 54 far 0 100 0 - 9.0-10.6 HA3 GLY 100 - QG1 VAL 78 far 0 83 0 - 9.6-12.7 HA GLU 37 - QG1 VAL 78 far 0 82 0 - 9.9-11.4 Violated in 16 structures by 0.39 A. Peak 10658 from cnoeabs.peaks (3.85, 0.76, 21.39 ppm; 4.08 A): 1 out of 20 assignments used, quality = 0.81: HA ALA 71 + QG1 VAL 78 OK 81 82 100 99 3.0-3.5 ~9685=49, 2.1/10210=45...(23) HA LEU 38 - QG1 VAL 54 far 0 90 0 - 5.8-7.4 HA ALA 67 - QG1 VAL 78 far 0 83 0 - 6.0-7.4 HA ALA 71 - QG1 VAL 54 far 0 100 0 - 6.0-7.7 HA GLU 43 - QG1 VAL 78 far 0 56 0 - 6.1-7.2 HB3 SER 49 - QG1 VAL 78 far 0 83 0 - 6.7-10.2 HA LEU 38 - QG1 VAL 78 far 0 69 0 - 6.7-8.2 HA ALA 67 - QG1 VAL 54 far 0 100 0 - 6.7-8.5 HA2 GLY 101 - QG1 VAL 78 far 0 77 0 - 6.8-12.4 HA GLU 43 - QG1 VAL 54 far 0 75 0 - 7.0-8.4 HA2 GLY 101 - QG1 VAL 54 far 0 97 0 - 7.3-11.9 HA LYS 40 - QG1 VAL 78 far 0 78 0 - 8.1-9.7 HA LYS 40 - QG1 VAL 54 far 0 98 0 - 8.2-9.6 HA SER 97 - QG1 VAL 54 far 0 68 0 - 8.3-9.8 HB3 SER 49 - QG1 VAL 54 far 0 100 0 - 8.3-10.3 HA ALA 22 - QG1 VAL 54 far 0 85 0 - 8.6-9.6 HA2 GLY 100 - QG1 VAL 54 far 0 97 0 - 8.7-12.1 HA2 GLY 100 - QG1 VAL 78 far 0 77 0 - 9.0-12.7 HA GLU 35 - QG1 VAL 78 far 0 49 0 - 9.1-10.6 HA GLU 35 - QG1 VAL 54 far 0 68 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 10662 from cnoeabs.peaks (9.20, 0.76, 21.39 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.95: H ILE 56 + QG1 VAL 54 OK 94 98 100 96 4.3-5.4 4.7/2504=59...(14) H ILE 56 + QG1 VAL 78 OK 27 78 40 86 5.8-6.9 9697/4.3=56, 9300/3.2=37...(10) Violated in 6 structures by 0.03 A. Peak 10663 from cnoeabs.peaks (9.32, 0.76, 21.39 ppm; 4.59 A): 1 out of 2 assignments used, quality = 0.99: H LEU 6 + QG1 VAL 54 OK 99 100 100 99 3.4-4.2 9294/2504=58...(15) H LEU 6 - QG1 VAL 78 far 0 83 0 - 6.8-7.9 Violated in 0 structures by 0.00 A. Peak 10664 from cnoeabs.peaks (1.51, -0.63, 42.07 ppm; 5.98 A): 6 out of 10 assignments used, quality = 1.00: HG LEU 57 + HB2 LEU 55 OK 98 98 100 100 5.2-7.1 10214/3.1=85, ~10212=80...(21) HG12 ILE 56 + HB2 LEU 55 OK 95 95 100 100 5.3-7.4 2577/4.5=70, 9317/3.0=67...(18) HG2 ARG 79 + HB2 LEU 55 OK 83 92 90 100 4.2-7.7 ~9252=64, ~12329=59...(22) HG3 ARG 79 + HB2 LEU 55 OK 77 91 85 100 3.4-7.8 ~9252=64, ~12329=59...(22) HG LEU 6 + HB2 LEU 55 OK 42 99 65 66 5.0-9.2 10659/6907=30...(11) HB2 LEU 3 + HB2 LEU 55 OK 24 59 80 50 5.9-8.5 8066/9290=27...(7) HB3 LEU 103 - HB2 LEU 55 far 10 99 10 - 6.5-12.7 HD3 LYS 53 - HB2 LEU 55 far 9 61 15 - 6.1-9.6 HB ILE 7 - HB2 LEU 55 far 0 99 0 - 7.6-10.2 HG3 ARG 30 - HB2 LEU 55 far 0 96 0 - 8.9-12.2 Violated in 0 structures by 0.00 A. Peak 10665 from cnoeabs.peaks (3.10, -0.63, 42.07 ppm; 5.87 A): 4 out of 5 assignments used, quality = 1.00: HB2 PHE 96 + HB2 LEU 55 OK 100 100 100 100 3.6-5.1 ~9263=76, ~10050=74...(25) HB2 TRP 92 + HB2 LEU 55 OK 95 100 95 100 5.5-7.4 9987/3.1=87, ~9264=72...(13) HD2 ARG 79 + HB2 LEU 55 OK 35 71 50 97 2.2-9.0 12330/3.0=36, ~12330=28...(20) HD3 ARG 79 + HB2 LEU 55 OK 29 75 40 97 3.0-9.3 ~12330=45, ~12199=25...(19) HB2 HIS 105 - HB2 LEU 55 far 0 92 0 - 9.1-18.0 Violated in 0 structures by 0.00 A. Peak 10666 from cnoeabs.peaks (1.81, 0.44, 22.30 ppm; 5.65 A): 4 out of 10 assignments used, quality = 1.00: HB ILE 93 + QD1 LEU 55 OK 100 100 100 100 5.9-7.1 10015/2.1=76, ~9262=72...(21) HB3 LEU 57 + QD1 LEU 55 OK 97 97 100 100 5.2-6.3 ~10212=74, 6938/9349=67...(25) HB VAL 78 + QD1 LEU 55 OK 65 77 100 84 5.7-6.7 4.4/9692=71...(7) HB2 LYS 53 + QD1 LEU 55 OK 26 75 40 86 6.6-7.5 1.8/9188=41...(9) HB2 GLU 88 - QD1 LEU 55 far 10 100 10 - 6.9-9.2 HB2 GLU 104 - QD1 LEU 55 lone 1 100 25 4 4.8-10.9 7664/9277=2 HB2 LYS 68 - QD1 LEU 55 far 0 81 0 - 7.4-10.7 HB2 LYS 90 - QD1 LEU 55 far 0 100 0 - 9.0-10.2 HB3 LYS 90 - QD1 LEU 55 far 0 87 0 - 9.0-10.3 HB3 GLU 63 - QD1 LEU 55 far 0 73 0 - 9.5-11.4 Violated in 0 structures by 0.00 A. Peak 10668 from cnoeabs.peaks (4.51, 0.44, 22.30 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: HA PHE 96 + QD1 LEU 55 OK 100 100 100 100 3.8-6.0 3.0/9256=83, 9260/2.1=82...(16) Violated in 1 structures by 0.03 A. Peak 10669 from cnoeabs.peaks (6.97, 4.67, 52.29 ppm; 3.99 A): 1 out of 1 assignment used, quality = 0.95: QE PHE 96 + HA LEU 55 OK 95 99 100 95 3.3-4.3 9291/2.9=52, 9286/3.0=31...(18) Violated in 2 structures by 0.02 A. Peak 10672 from cnoeabs.peaks (1.65, 0.60, 16.63 ppm; 3.79 A): 1 out of 11 assignments used, quality = 1.00: HB3 LEU 6 + QG2 ILE 56 OK 100 100 100 100 1.9-3.4 8236=50, 1.8/9326=37...(33) HG2 LYS 68 - QG2 ILE 56 far 0 100 0 - 5.5-8.3 HD3 LYS 68 - QG2 ILE 56 far 0 100 0 - 6.3-8.0 HB3 ARG 79 - QG2 ILE 56 far 0 100 0 - 6.8-8.0 HD2 LYS 68 - QG2 ILE 56 far 0 100 0 - 7.5-9.1 HB ILE 76 - QG2 ILE 56 far 0 100 0 - 8.3-9.6 HB3 LYS 40 - QG2 ILE 56 far 0 70 0 - 9.0-10.9 HD2 LYS 39 - QG2 ILE 56 far 0 100 0 - 9.0-11.4 HB3 LYS 53 - QG2 ILE 56 far 0 65 0 - 9.6-11.3 HD3 LYS 39 - QG2 ILE 56 far 0 99 0 - 9.8-12.1 HB2 LYS 40 - QG2 ILE 56 far 0 100 0 - 10.0-11.6 Violated in 0 structures by 0.00 A. Peak 10673 from cnoeabs.peaks (1.90, 0.60, 16.63 ppm; 4.58 A): 2 out of 11 assignments used, quality = 1.00: HB ILE 8 + QG2 ILE 56 OK 100 100 100 100 3.5-4.3 10383=84, 3.2/8313=41...(24) HG LEU 42 + QG2 ILE 56 OK 30 100 60 50 5.2-7.3 10678/3.2=19...(10) HB VAL 54 - QG2 ILE 56 poor 20 98 20 - 5.8-7.0 HB3 LYS 68 - QG2 ILE 56 poor 18 84 35 61 5.0-6.9 10258/9734=37...(6) HB3 LYS 66 - QG2 ILE 56 poor 17 65 60 44 5.5-6.7 4.7/9521=31...(5) HB VAL 5 - QG2 ILE 56 far 0 65 0 - 6.9-8.1 HB3 LYS 39 - QG2 ILE 56 far 0 68 0 - 8.8-10.5 HB3 LYS 33 - QG2 ILE 56 far 0 94 0 - 9.4-10.7 HB2 LYS 33 - QG2 ILE 56 far 0 92 0 - 9.4-10.7 HB3 LEU 14 - QG2 ILE 56 far 0 100 0 - 9.7-11.0 HB3 GLU 104 - QG2 ILE 56 far 0 82 0 - 9.9-16.4 Violated in 0 structures by 0.00 A. Peak 10674 from cnoeabs.peaks (0.83, 0.60, 16.63 ppm; 3.35 A): 4 out of 14 assignments used, quality = 0.94: QG2 VAL 32 + QG2 ILE 56 OK 77 100 100 77 2.7-4.2 10160/10672=35...(16) QD2 LEU 57 + QG2 ILE 56 OK 43 61 100 71 3.7-4.1 4.6/2576=29, 3.1/9326=15...(16) QD2 LEU 38 + QG2 ILE 56 OK 35 99 95 37 2.1-4.8 9526/9528=14...(10) QD1 LEU 57 + QG2 ILE 56 OK 30 100 40 74 4.0-5.5 2641/2576=32...(12) QD1 LEU 38 - QG2 ILE 56 poor 18 82 70 31 2.3-5.2 9526/9528=8, 3.8/9322=5...(10) QG2 ILE 7 - QG2 ILE 56 far 0 68 0 - 4.9-5.7 QD1 LEU 70 - QG2 ILE 56 far 0 94 0 - 5.1-7.5 QD2 LEU 64 - QG2 ILE 56 far 0 79 0 - 5.3-7.1 QD2 LEU 70 - QG2 ILE 56 far 0 84 0 - 6.0-8.0 QD1 LEU 103 - QG2 ILE 56 far 0 75 0 - 6.6-15.1 QD2 LEU 103 - QG2 ILE 56 far 0 100 0 - 6.9-15.2 QD1 ILE 76 - QG2 ILE 56 far 0 71 0 - 7.1-8.7 QG2 ILE 15 - QG2 ILE 56 far 0 87 0 - 7.2-8.1 QD2 LEU 2 - QG2 ILE 56 far 0 85 0 - 9.8-13.1 Violated in 0 structures by 0.00 A. Peak 10675 from cnoeabs.peaks (0.97, 0.71, 27.60 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: QG2 THR 80 + HG13 ILE 56 OK 99 99 100 100 2.2-4.2 12206/1.8=98...(27) HG LEU 55 + HG13 ILE 56 OK 93 100 95 98 4.5-6.8 3.7/9316=47...(15) QG2 VAL 5 - HG13 ILE 56 far 9 88 10 - 6.2-8.3 QG2 VAL 83 - HG13 ILE 56 far 0 100 0 - 7.9-9.2 HB2 ARG 81 - HG13 ILE 56 far 0 63 0 - 8.1-9.6 Violated in 0 structures by 0.00 A. Peak 10676 from cnoeabs.peaks (1.19, 0.71, 27.60 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.98: HB2 LEU 6 + HG13 ILE 56 OK 98 99 100 100 2.8-5.3 ~10672=55, 4.0/9313=48...(25) HB2 LEU 57 - HG13 ILE 56 far 0 100 0 - 7.5-8.9 QB ALA 18 - HG13 ILE 56 far 0 63 0 - 8.2-10.3 HB2 LEU 29 - HG13 ILE 56 far 0 75 0 - 9.8-12.5 Violated in 10 structures by 0.13 A. Peak 10677 from cnoeabs.peaks (1.36, 0.71, 27.60 ppm; 3.82 A): 1 out of 9 assignments used, quality = 0.88: QB ALA 67 + HG13 ILE 56 OK 88 92 100 95 2.1-4.5 9528/3.2=57...(17) HG12 ILE 8 - HG13 ILE 56 far 10 100 10 - 4.0-7.3 HB2 LEU 70 - HG13 ILE 56 far 0 98 0 - 6.0-8.9 HG3 LYS 68 - HG13 ILE 56 far 0 99 0 - 6.2-10.1 HB3 ARG 30 - HG13 ILE 56 far 0 97 0 - 6.4-9.7 QB ALA 89 - HG13 ILE 56 far 0 94 0 - 8.5-10.5 HB2 LYS 82 - HG13 ILE 56 far 0 97 0 - 9.0-11.3 HG2 LYS 39 - HG13 ILE 56 far 0 98 0 - 9.5-12.1 HB3 LEU 27 - HG13 ILE 56 far 0 98 0 - 9.9-12.7 Violated in 4 structures by 0.11 A. Peak 10678 from cnoeabs.peaks (1.90, 0.71, 27.60 ppm; 4.86 A): 2 out of 6 assignments used, quality = 0.79: HB VAL 54 + HG13 ILE 56 OK 68 96 95 75 3.8-6.4 ~10209=32, 323/2.1=30...(8) HG LEU 42 + HG13 ILE 56 OK 35 100 70 49 4.9-7.6 1932/2.1=15...(11) HB3 LYS 68 - HG13 ILE 56 poor 15 77 20 - 5.9-9.4 HB ILE 8 - HG13 ILE 56 far 10 100 10 - 6.2-8.5 HB VAL 32 - HG13 ILE 56 far 6 59 10 - 5.9-8.5 HB3 LYS 39 - HG13 ILE 56 far 0 59 0 - 9.3-11.4 Violated in 10 structures by 0.22 A. Peak 10679 from cnoeabs.peaks (0.97, 1.53, 27.60 ppm; 4.93 A): 2 out of 5 assignments used, quality = 1.00: QG2 THR 80 + HG12 ILE 56 OK 96 96 100 100 2.6-4.0 12206=96, 9729/2.9=87...(30) HG LEU 55 + HG12 ILE 56 OK 93 100 95 98 4.7-6.4 3.7/9317=45...(17) QG2 VAL 5 - HG12 ILE 56 far 14 93 15 - 6.2-8.5 HB2 ARG 81 - HG12 ILE 56 far 0 71 0 - 7.0-9.4 QG2 VAL 83 - HG12 ILE 56 far 0 100 0 - 8.1-9.0 Violated in 0 structures by 0.00 A. Peak 10680 from cnoeabs.peaks (1.34, 1.53, 27.60 ppm; 4.57 A): 2 out of 8 assignments used, quality = 1.00: QB ALA 67 + HG12 ILE 56 OK 100 100 100 100 2.0-4.4 9528/3.2=83...(20) HG12 ILE 8 + HG12 ILE 56 OK 32 85 40 94 4.7-8.1 9325/3.2=32, ~10383=31...(18) HG3 LYS 68 - HG12 ILE 56 far 0 99 0 - 6.5-9.5 HB3 ARG 30 - HG12 ILE 56 far 0 71 0 - 6.7-10.2 HB2 LEU 70 - HG12 ILE 56 far 0 75 0 - 6.7-8.8 HB3 LEU 42 - HG12 ILE 56 far 0 68 0 - 6.8-8.3 HB2 LYS 82 - HG12 ILE 56 far 0 100 0 - 8.8-11.3 QB ALA 89 - HG12 ILE 56 far 0 100 0 - 8.9-10.1 Violated in 0 structures by 0.00 A. Peak 10681 from cnoeabs.peaks (1.33, 0.71, 13.82 ppm; 3.03 A): 3 out of 25 assignments used, quality = 0.99: QB ALA 67 + QD1 ILE 56 OK 89 100 100 89 2.3-3.9 9528/3.0=43...(16) QB ALA 67 + QD1 ILE 8 OK 79 97 100 81 1.8-3.3 9527=22, 9528/8313=18...(29) HG12 ILE 8 + QD1 ILE 8 OK 74 74 100 100 2.1-2.1 2.1=100 HG3 LYS 68 - QD1 ILE 56 far 5 96 5 - 4.2-8.5 HG12 ILE 8 - QD1 ILE 56 far 4 79 5 - 3.0-7.0 HB3 LEU 42 - QD1 ILE 56 far 0 75 0 - 4.9-6.3 HB2 LEU 70 - QD1 ILE 56 far 0 68 0 - 5.5-7.2 HB3 ARG 30 - QD1 ILE 56 far 0 63 0 - 5.5-9.2 HB2 LEU 70 - QD1 ILE 8 far 0 63 0 - 6.2-7.9 QB ALA 89 - QD1 ILE 8 far 0 97 0 - 6.3-8.5 HB3 ARG 30 - QD1 ILE 8 far 0 59 0 - 6.5-7.9 HB2 LYS 82 - QD1 ILE 8 far 0 96 0 - 6.7-8.1 HG3 LYS 68 - QD1 ILE 8 far 0 92 0 - 7.3-9.0 QB ALA 89 - QD1 ILE 56 far 0 100 0 - 7.3-8.8 HB2 LYS 82 - QD1 ILE 56 far 0 99 0 - 7.8-10.2 HB3 LEU 27 - QD1 ILE 56 far 0 99 0 - 8.0-10.3 HG LEU 14 - QD1 ILE 8 far 0 91 0 - 8.1-9.9 HB3 LEU 42 - QD1 ILE 8 far 0 70 0 - 8.1-9.5 HG2 LYS 39 - QD1 ILE 8 far 0 95 0 - 8.3-10.1 HG2 LYS 39 - QD1 ILE 56 far 0 99 0 - 8.6-10.2 HG3 LYS 40 - QD1 ILE 56 far 0 85 0 - 9.4-12.4 HG LEU 3 - QD1 ILE 56 far 0 68 0 - 9.5-12.0 QB ALA 25 - QD1 ILE 56 far 0 100 0 - 9.6-11.4 HB3 LEU 2 - QD1 ILE 56 far 0 100 0 - 9.9-14.6 HG LEU 14 - QD1 ILE 56 far 0 96 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 10682 from cnoeabs.peaks (0.99, 0.71, 13.82 ppm; 3.60 A): 4 out of 10 assignments used, quality = 1.00: QG2 THR 80 + QD1 ILE 56 OK 98 98 100 100 2.0-4.2 12206/2.1=61...(28) QG2 THR 80 + QD1 ILE 8 OK 69 94 100 73 3.0-4.6 9734/2596=26...(19) HG LEU 55 + QD1 ILE 56 OK 49 81 90 68 4.1-5.7 2536/5.0=14, 9327/3.0=13...(13) HB3 LEU 55 + QD1 ILE 56 OK 40 68 75 79 4.4-6.8 4.5/2593=24, ~9317=17...(16) QG2 VAL 83 - QD1 ILE 8 far 0 74 0 - 5.2-6.8 HG LEU 55 - QD1 ILE 8 far 0 75 0 - 6.0-8.1 QG1 VAL 83 - QD1 ILE 8 far 0 89 0 - 6.7-8.2 QG2 VAL 83 - QD1 ILE 56 far 0 79 0 - 6.7-7.8 HB3 LEU 55 - QD1 ILE 8 far 0 63 0 - 7.3-9.9 QG1 VAL 83 - QD1 ILE 56 far 0 94 0 - 7.3-8.2 Violated in 0 structures by 0.00 A. Peak 10687 from cnoeabs.peaks (5.12, 1.50, 26.28 ppm; 5.65 A): 2 out of 6 assignments used, quality = 1.00: HA ILE 7 + HG LEU 57 OK 98 98 100 100 4.8-5.5 8272/3.0=91, 9345/3.0=84...(28) HA VAL 5 + HG LEU 57 OK 89 98 95 95 6.2-7.3 9261/9268=34...(19) HA TYR 4 - HG3 ARG 30 poor 12 40 70 44 5.9-8.5 3.6/2625=19...(6) HA VAL 5 - HG3 ARG 30 poor 9 50 40 47 6.7-8.5 3.0/2625=21, ~8185=19...(8) HA ILE 7 - HG3 ARG 30 far 0 49 0 - 8.6-9.5 HA SER 85 - HG LEU 57 far 0 94 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 10688 from cnoeabs.peaks (5.12, 0.80, 25.48 ppm; 5.26 A): 4 out of 13 assignments used, quality = 1.00: HA ILE 7 + QD2 LEU 57 OK 98 98 100 100 2.8-4.4 8272/3.1=84, 9345/3.1=74...(28) HA VAL 5 + QD2 LEU 57 OK 95 98 100 97 3.7-4.9 9261/10217=32...(24) HA VAL 5 + QD1 LEU 6 OK 64 64 100 100 3.9-5.9 6059/4.6=79, 8220/3.1=38...(26) HA ILE 7 + QD1 LEU 6 OK 63 63 100 100 4.8-5.8 ~6074=47, 3.0/6077=42...(21) HA ILE 7 - QD2 LEU 38 poor 18 60 30 - 5.9-8.1 HA TYR 4 - QD1 LEU 6 far 8 51 15 - 5.2-7.6 HA TYR 4 - QD2 LEU 57 far 0 85 0 - 7.2-8.6 HA VAL 5 - QD2 LEU 38 far 0 60 0 - 7.4-10.4 HA LEU 3 - QD1 LEU 6 far 0 65 0 - 8.1-10.5 HA LEU 3 - QD2 LEU 57 far 0 99 0 - 8.8-9.8 HA SER 85 - QD2 LEU 57 far 0 94 0 - 9.5-10.1 HA ILE 7 - QD1 LEU 70 far 0 57 0 - 9.5-12.5 HA TYR 4 - QD2 LEU 38 far 0 48 0 - 9.7-12.9 Violated in 0 structures by 0.00 A. Peak 10689 from cnoeabs.peaks (0.70, 5.39, 52.09 ppm; 3.99 A): 6 out of 14 assignments used, quality = 1.00: QG1 VAL 58 + HA LEU 57 OK 95 96 100 99 3.7-4.0 10706=64, 2667/6945=60...(21) QG2 VAL 58 + HA LEU 57 OK 78 79 100 99 3.9-4.2 4.0/6945=59...(21) QG1 VAL 5 + HA LEU 57 OK 39 90 65 66 5.0-6.0 173/3.0=24, 8194/2.9=14...(11) QD1 LEU 64 + HA LEU 57 OK 38 63 90 67 4.8-5.6 6954/6945=20...(11) QD1 LEU 14 + HA LEU 57 OK 23 82 35 81 5.2-6.2 9807/9797=27...(14) QD1 ILE 8 + HA LEU 57 OK 21 100 30 69 4.1-6.4 6954/6945=19...(11) HG3 ARG 81 - HA LEU 57 far 10 68 15 - 5.2-6.6 QD2 LEU 14 - HA LEU 57 far 5 100 5 - 5.4-6.7 QD1 ILE 56 - HA LEU 57 far 0 100 0 - 5.6-6.0 HG13 ILE 56 - HA LEU 57 far 0 99 0 - 6.1-7.0 HG13 ILE 93 - HA LEU 57 far 0 59 0 - 6.6-8.2 QD2 LEU 6 - HA LEU 57 far 0 94 0 - 7.5-8.2 QG2 VAL 78 - HA LEU 57 far 0 95 0 - 7.8-8.9 QD1 LEU 42 - HA LEU 57 far 0 96 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10690 from cnoeabs.peaks (0.71, 1.20, 42.45 ppm; 4.54 A): 6 out of 14 assignments used, quality = 1.00: QG1 VAL 58 + HB2 LEU 57 OK 99 100 100 99 5.1-5.3 10706/2.9=66...(13) QD2 LEU 14 + HB2 LEU 57 OK 94 100 100 94 3.5-5.3 10403/9819=57, 219=21...(19) QG1 VAL 5 + HB2 LEU 57 OK 88 98 100 90 4.8-5.6 173/3.9=27, 8194=22...(18) QG2 VAL 58 + HB2 LEU 57 OK 59 61 100 96 5.2-5.5 4.0/6946=58, ~10706=43...(13) QD1 LEU 14 + HB2 LEU 57 OK 59 65 100 90 3.3-4.5 9807/9809=37, 2.1/219=24...(15) HG13 ILE 93 + HB2 LEU 57 OK 35 77 60 76 5.6-7.3 1.8/10023=17, 10022=13...(14) QD1 ILE 8 - HB2 LEU 57 far 10 100 10 - 4.8-7.3 HG3 ARG 81 - HB2 LEU 57 far 0 84 0 - 6.2-8.2 QD1 LEU 64 - HB2 LEU 57 far 0 81 0 - 6.6-7.6 QD1 ILE 56 - HB2 LEU 57 far 0 100 0 - 6.8-7.9 HG13 ILE 56 - HB2 LEU 57 far 0 100 0 - 7.5-8.9 QG2 ILE 93 - HB2 LEU 57 far 0 63 0 - 7.6-8.2 QD2 LEU 6 - HB2 LEU 57 far 0 82 0 - 7.9-8.6 QG2 VAL 78 - HB2 LEU 57 far 0 99 0 - 9.4-10.8 Violated in 0 structures by 0.00 A. Peak 10691 from cnoeabs.peaks (0.71, 1.82, 42.45 ppm; 4.85 A): 8 out of 13 assignments used, quality = 1.00: QD2 LEU 14 + HB3 LEU 57 OK 98 100 100 98 3.8-4.7 10403/9356=36...(23) QG1 VAL 58 + HB3 LEU 57 OK 98 99 100 99 4.9-5.4 10706/2.9=73...(14) QG1 VAL 5 + HB3 LEU 57 OK 92 95 100 97 3.6-4.4 173/6938=31...(27) QD1 LEU 14 + HB3 LEU 57 OK 70 73 100 95 4.1-5.0 ~12013=25, 2.1/12135=22...(20) QG2 VAL 58 + HB3 LEU 57 OK 67 70 100 97 5.9-6.2 4.0/6947=61, ~10706=49...(12) HG13 ILE 93 + HB3 LEU 57 OK 58 70 100 84 5.0-6.1 ~10023=20, 1.8/4148=17...(16) QD1 ILE 56 + HB3 LEU 57 OK 52 100 65 80 5.8-7.2 3.0/9355=27...(13) QD1 ILE 8 + HB3 LEU 57 OK 49 100 60 82 4.4-6.7 5.0/8289=51...(9) HG13 ILE 56 - HB3 LEU 57 far 5 100 5 - 6.2-8.3 QD2 LEU 6 - HB3 LEU 57 far 0 88 0 - 6.4-7.3 HG3 ARG 81 - HB3 LEU 57 far 0 77 0 - 7.0-8.9 QD1 LEU 64 - HB3 LEU 57 far 0 73 0 - 7.3-8.1 QG2 VAL 78 - HB3 LEU 57 far 0 98 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 10695 from cnoeabs.peaks (0.71, 1.50, 26.28 ppm; 4.11 A): 5 out of 25 assignments used, quality = 0.99: QG1 VAL 5 + HG LEU 57 OK 86 95 100 91 3.4-4.1 8195/10214=41...(23) QD2 LEU 14 + HG LEU 57 OK 62 100 75 82 4.7-6.2 10403/9817=29...(19) QD1 LEU 14 + HG LEU 57 OK 58 73 100 79 4.4-5.2 9807/9811=19...(18) HG13 ILE 93 + HG LEU 57 OK 53 70 100 77 3.3-4.9 2.1/2630=21...(17) QD2 LEU 6 + HG3 ARG 30 OK 38 42 95 97 3.1-6.0 8722/3.0=45, 8717/2.9=35...(21) HG3 ARG 81 - HG LEU 57 far 0 77 0 - 5.7-7.8 QG1 VAL 5 - HG3 ARG 30 far 0 47 0 - 6.1-7.2 QD1 ILE 8 - HG LEU 57 far 0 100 0 - 6.2-8.6 QD1 ILE 56 - HG LEU 57 far 0 100 0 - 6.6-7.8 QG1 VAL 58 - HG LEU 57 far 0 99 0 - 6.6-6.9 QG2 VAL 58 - HG LEU 57 far 0 70 0 - 6.9-7.3 QD1 ILE 56 - HG3 ARG 30 far 0 53 0 - 6.9-10.6 QD2 LEU 6 - HG LEU 57 far 0 88 0 - 7.5-8.3 QD1 LEU 64 - HG LEU 57 far 0 73 0 - 7.7-8.5 HG13 ILE 56 - HG LEU 57 far 0 100 0 - 7.7-9.2 QD2 LEU 27 - HG3 ARG 30 far 0 44 0 - 8.4-10.1 HG13 ILE 56 - HG3 ARG 30 far 0 53 0 - 8.4-12.0 QD1 ILE 52 - HG3 ARG 30 far 0 48 0 - 8.5-11.1 QD1 ILE 8 - HG3 ARG 30 far 0 53 0 - 8.7-10.1 QG2 VAL 78 - HG LEU 57 far 0 98 0 - 9.3-10.6 QD2 LEU 27 - HG LEU 57 far 0 92 0 - 9.4-10.5 HG13 ILE 93 - HG3 ARG 30 far 0 30 0 - 9.4-11.7 QD1 LEU 42 - HG3 ARG 30 far 0 43 0 - 9.4-10.5 QG1 VAL 78 - HG3 ARG 30 far 0 28 0 - 9.6-11.4 QD2 LEU 14 - HG3 ARG 30 far 0 53 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10696 from cnoeabs.peaks (0.69, 0.80, 25.48 ppm; 2.69 A): 6 out of 48 assignments used, quality = 0.97: QD2 LEU 6 + QD1 LEU 6 OK 66 66 100 100 1.9-2.1 2.1=100 QD1 ILE 56 + QD1 LEU 6 OK 44 64 90 77 1.9-5.4 324=22, 2597/2.1=17...(21) QG1 VAL 5 + QD2 LEU 57 OK 43 75 100 57 1.8-3.4 2.1/9364=9, 8195/10217=8...(21) QD1 LEU 42 + QD1 LEU 70 OK 42 60 90 79 2.6-4.9 9543/3.1=27, 9544/3.1=27...(16) QD1 ILE 8 + QD2 LEU 38 OK 42 59 100 71 1.9-3.5 324=15, 12201/2.1=13...(21) HG13 ILE 56 + QD1 LEU 6 OK 26 58 60 75 2.0-5.9 2589/2.1=16...(19) QG1 VAL 58 - QD2 LEU 38 poor 19 48 40 - 3.6-4.7 QD1 LEU 42 - QD2 LEU 38 poor 14 63 35 64 2.1-5.3 12082/2.1=11, ~12068=10...(18) QD1 LEU 42 - QD1 LEU 6 poor 13 67 60 33 3.4-5.9 6676/6677=5, ~1932=4...(16) QD1 ILE 8 - QD1 LEU 6 poor 12 62 65 29 3.6-6.0 2.1/308=5, 12200/12056=5...(9) QD1 ILE 56 - QD2 LEU 57 poor 11 98 40 29 3.8-5.0 2600/4.6=5, ~9353=4...(10) QD1 ILE 56 - QD2 LEU 38 far 9 60 15 - 2.7-6.0 HG13 ILE 56 - QD2 LEU 38 far 8 55 15 - 2.8-7.3 QG1 VAL 5 - QD1 LEU 6 far 2 44 5 - 4.2-5.5 QD2 LEU 6 - QD2 LEU 38 far 0 62 0 - 4.3-6.8 QD1 ILE 8 - QD1 LEU 70 far 0 56 0 - 4.3-6.7 QG2 VAL 78 - QD2 LEU 38 far 0 47 0 - 4.4-7.6 QG2 VAL 78 - QD1 LEU 6 far 0 50 0 - 4.5-7.3 QD1 ILE 8 - QD2 LEU 57 far 0 97 0 - 4.6-6.4 HG13 ILE 56 - QD2 LEU 57 far 0 93 0 - 4.7-5.9 QG1 VAL 58 - QD2 LEU 57 far 0 85 0 - 4.7-5.2 QD2 LEU 6 - QD2 LEU 57 far 0 99 0 - 4.9-6.2 QD1 ILE 56 - QD1 LEU 70 far 0 57 0 - 5.0-7.6 QD2 LEU 14 - QD2 LEU 57 far 0 98 0 - 5.0-6.0 QG2 VAL 58 - QD2 LEU 57 far 0 92 0 - 5.0-6.2 QD1 LEU 14 - QD2 LEU 57 far 0 94 0 - 5.1-5.7 QG1 VAL 58 - QD1 LEU 6 far 0 51 0 - 5.2-7.0 QG2 VAL 58 - QD2 LEU 38 far 0 54 0 - 5.6-6.8 HG13 ILE 56 - QD1 LEU 70 far 0 52 0 - 5.8-9.6 QG2 VAL 78 - QD1 LEU 70 far 0 45 0 - 5.9-7.2 QG1 VAL 58 - QD1 LEU 70 far 0 46 0 - 5.9-7.9 QD2 LEU 6 - QD1 LEU 70 far 0 59 0 - 6.1-9.7 QG2 VAL 78 - QD2 LEU 57 far 0 84 0 - 6.3-7.2 QD1 ILE 52 - QD1 LEU 6 far 0 68 0 - 6.6-8.3 QG1 VAL 5 - QD2 LEU 38 far 0 41 0 - 6.8-9.2 QD2 LEU 27 - QD2 LEU 57 far 0 70 0 - 7.1-8.4 QG2 VAL 58 - QD1 LEU 6 far 0 57 0 - 7.3-8.9 QD2 LEU 14 - QD1 LEU 6 far 0 63 0 - 7.4-8.6 QD2 LEU 27 - QD1 LEU 6 far 0 40 0 - 7.4-9.8 QG2 VAL 58 - QD1 LEU 70 far 0 51 0 - 7.8-9.5 QD1 LEU 42 - QD2 LEU 57 far 0 100 0 - 7.8-9.0 QD2 LEU 14 - QD2 LEU 38 far 0 60 0 - 8.2-9.8 QD1 ILE 52 - QD2 LEU 38 far 0 64 0 - 8.7-11.8 QD1 LEU 14 - QD1 LEU 6 far 0 59 0 - 8.7-9.6 QD1 LEU 14 - QD2 LEU 38 far 0 56 0 - 9.2-10.8 QD1 ILE 52 - QD2 LEU 57 far 0 100 0 - 9.4-11.1 QD1 ILE 52 - QD1 LEU 70 far 0 61 0 - 9.7-11.1 QG1 VAL 5 - QD1 LEU 70 far 0 39 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 10697 from cnoeabs.peaks (3.90, 0.80, 25.48 ppm; 3.74 A): 6 out of 33 assignments used, quality = 1.00: HA ALA 89 + QD2 LEU 57 OK 96 100 100 96 3.6-3.9 9929=40, 10698/2.1=35...(23) HA GLU 35 + QD2 LEU 38 OK 53 57 100 93 1.9-4.7 12057/4.5=35...(30) HA TYR 41 + QD1 LEU 6 OK 47 53 100 90 4.2-5.2 3.0/8873=19...(20) HA GLU 35 + QD1 LEU 70 OK 47 54 100 87 1.9-4.2 10609=21, 10698/2.1=18...(30) HA LEU 38 + QD2 LEU 38 OK 43 44 100 100 1.9-4.0 3.8=93, ~1658=28...(27) HA GLU 63 + QD2 LEU 38 OK 33 61 85 63 3.8-6.8 10745=24, 9459/9517=12...(12) HA LEU 38 - QD1 LEU 6 poor 15 46 95 35 2.6-5.6 1624/8873=10...(8) HA LEU 38 - QD1 LEU 70 poor 14 41 60 55 3.8-6.5 3.6/6601=12, 3.0/1631=11...(15) HA TYR 41 - QD2 LEU 38 far 0 49 0 - 5.8-8.7 HA GLU 63 - QD1 LEU 70 far 0 58 0 - 5.9-7.9 HA LYS 40 - QD1 LEU 70 far 0 30 0 - 6.0-7.9 HA GLU 35 - QD1 LEU 6 far 0 61 0 - 6.8-9.7 HA LYS 40 - QD1 LEU 6 far 0 35 0 - 6.9-8.5 HA LYS 40 - QD2 LEU 38 far 0 32 0 - 7.0-8.5 HB3 SER 9 - QD2 LEU 57 far 0 88 0 - 7.1-8.8 HA3 GLY 101 - QD2 LEU 57 far 0 99 0 - 7.5-13.4 HA TYR 41 - QD1 LEU 70 far 0 47 0 - 7.6-10.1 HA GLU 43 - QD1 LEU 70 far 0 51 0 - 7.7-9.3 HA GLU 43 - QD1 LEU 6 far 0 57 0 - 7.8-9.2 HA ARG 91 - QD2 LEU 57 far 0 96 0 - 7.8-8.4 HA LYS 94 - QD2 LEU 57 far 0 63 0 - 8.0-8.6 HA2 GLY 101 - QD2 LEU 57 far 0 63 0 - 8.0-13.8 HB3 SER 9 - QD2 LEU 38 far 0 51 0 - 8.0-11.1 HA GLU 63 - QD1 LEU 6 far 0 64 0 - 8.1-10.9 HA GLU 43 - QD2 LEU 38 far 0 54 0 - 8.3-10.8 HA GLU 44 - QD1 LEU 6 far 0 40 0 - 8.4-9.5 HB3 SER 9 - QD1 LEU 6 far 0 54 0 - 8.8-10.7 HB2 SER 102 - QD2 LEU 57 far 0 99 0 - 8.9-16.0 HA LEU 38 - QD2 LEU 57 far 0 79 0 - 9.1-10.3 HA ALA 89 - QD1 LEU 6 far 0 68 0 - 9.6-10.6 HB2 SER 85 - QD2 LEU 57 far 0 100 0 - 9.6-10.3 HA GLU 63 - QD2 LEU 57 far 0 99 0 - 9.7-10.5 HA2 GLY 100 - QD2 LEU 57 far 0 63 0 - 9.8-12.8 Violated in 0 structures by 0.00 A. Peak 10698 from cnoeabs.peaks (3.89, 0.83, 23.91 ppm; 3.98 A): 3 out of 18 assignments used, quality = 0.99: HA ALA 89 + QD1 LEU 57 OK 98 99 100 99 1.8-3.9 3905/9357=38...(23) HA GLU 35 + QD2 LEU 70 OK 51 58 100 89 2.7-5.0 10167=20, 10609/2.1=20...(31) HA ALA 67 + QD2 LEU 70 OK 24 28 100 84 2.5-4.9 ~3152=18, ~7091=15...(20) HA LEU 38 - QD2 LEU 70 far 2 50 5 - 3.9-8.0 HA LYS 40 - QD2 LEU 70 far 0 40 0 - 6.0-9.0 HA GLU 63 - QD2 LEU 70 far 0 48 0 - 6.7-8.4 HB3 SER 9 - QD1 LEU 57 far 0 71 0 - 6.7-8.0 HA ARG 91 - QD1 LEU 57 far 0 100 0 - 6.9-8.1 HB2 SER 85 - QD1 LEU 57 far 0 99 0 - 7.0-9.3 HA TYR 41 - QD2 LEU 70 far 0 34 0 - 7.6-11.3 HA GLU 43 - QD2 LEU 70 far 0 56 0 - 7.9-10.1 HB2 SER 102 - QD1 LEU 57 far 0 100 0 - 7.9-15.5 HA3 GLY 101 - QD1 LEU 57 far 0 100 0 - 8.0-13.3 HA2 GLY 101 - QD1 LEU 57 far 0 82 0 - 8.0-13.7 HA LYS 94 - QD1 LEU 57 far 0 82 0 - 8.6-9.1 HA ALA 67 - QD1 LEU 57 far 0 59 0 - 9.7-11.4 HA GLU 63 - QD1 LEU 57 far 0 91 0 - 9.9-10.4 HA2 GLY 100 - QD1 LEU 57 far 0 82 0 - 9.9-14.0 Violated in 0 structures by 0.00 A. Peak 10699 from cnoeabs.peaks (1.77, 5.25, 58.24 ppm; 4.95 A): 2 out of 5 assignments used, quality = 1.00: HB3 GLU 63 + HA VAL 58 OK 100 100 100 100 3.7-5.1 10233/3.0=80...(32) HB ILE 56 + HA VAL 58 OK 32 98 35 93 6.1-7.3 ~9324=40, 10225/3.2=39...(14) HB3 LYS 82 - HA VAL 58 far 0 99 0 - 7.4-7.8 HB2 LYS 66 - HA VAL 58 far 0 99 0 - 9.0-10.1 HB2 GLU 88 - HA VAL 58 far 0 70 0 - 9.2-10.8 Violated in 1 structures by 0.00 A. Peak 10700 from cnoeabs.peaks (2.20, 2.60, 33.16 ppm; 4.02 A): 1 out of 9 assignments used, quality = 1.00: HB2 GLU 63 + HB VAL 58 OK 100 100 100 100 2.0-3.3 10236=81, 1.8/10233=74...(30) HG2 GLU 43 - HG3 MET 74 far 6 62 10 - 4.4-7.6 HG3 GLU 75 - HG3 MET 74 far 0 49 0 - 5.8-7.3 HB3 GLN 72 - HG3 MET 74 far 0 37 0 - 6.3-8.4 HB3 GLU 75 - HG3 MET 74 far 0 63 0 - 6.4-8.5 HB2 GLN 72 - HG3 MET 74 far 0 35 0 - 6.8-9.1 HG2 GLU 75 - HG3 MET 74 far 0 46 0 - 7.1-8.7 HG3 GLU 35 - HG3 MET 74 far 0 66 0 - 7.9-12.7 HG2 GLU 35 - HG3 MET 74 far 0 66 0 - 9.0-13.2 Violated in 0 structures by 0.00 A. Peak 10701 from cnoeabs.peaks (1.89, 2.60, 33.16 ppm; 4.45 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 8 + HB VAL 58 OK 100 100 100 100 2.1-3.1 9374/3.0=78, 8301=78...(31) HG LEU 42 + HG3 MET 74 OK 39 66 60 99 3.5-6.3 10340/3.4=60, ~9605=41...(19) HB3 LYS 39 + HG3 MET 74 OK 23 44 55 94 3.6-6.5 ~12073=31, ~9609=30...(16) HB2 GLU 43 - HG3 MET 74 far 3 61 5 - 5.0-8.5 HB3 LYS 66 - HB VAL 58 far 0 75 0 - 6.2-7.0 HB VAL 54 - HG3 MET 74 far 0 65 0 - 7.1-8.7 HB3 LYS 68 - HB VAL 58 far 0 91 0 - 8.3-9.4 HB3 LEU 14 - HB VAL 58 far 0 99 0 - 9.5-10.8 HB2 LYS 33 - HB VAL 58 far 0 85 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 10702 from cnoeabs.peaks (0.81, 2.60, 33.16 ppm; 4.52 A): 3 out of 20 assignments used, quality = 0.98: QG2 ILE 8 + HB VAL 58 OK 93 93 100 100 2.3-3.9 2.1/8301=65...(34) QD1 ILE 76 + HG3 MET 74 OK 65 65 100 100 1.8-2.6 10880/1.8=50, ~9664=43...(28) QD2 LEU 42 + HG3 MET 74 OK 32 32 100 98 3.9-5.0 ~9605=43, ~9615=43...(18) QD1 LEU 70 - HG3 MET 74 poor 18 63 35 80 5.1-6.9 ~10276=26, 9604/3.4=24...(17) QD2 LEU 70 - HG3 MET 74 far 10 66 15 - 5.7-7.2 QD2 LEU 38 - HB VAL 58 far 9 95 10 - 5.2-7.5 QG2 VAL 32 - HB VAL 58 far 4 84 5 - 6.0-7.5 QD2 LEU 38 - HG3 MET 74 far 0 58 0 - 6.0-10.0 QD1 LEU 6 - HG3 MET 74 far 0 37 0 - 6.3-10.0 QG2 ILE 7 - HB VAL 58 far 0 100 0 - 6.5-7.0 QD1 LEU 57 - HB VAL 58 far 0 90 0 - 6.7-7.1 QD2 LEU 57 - HB VAL 58 far 0 99 0 - 7.0-7.4 QG2 ILE 52 - HG3 MET 74 far 0 47 0 - 7.2-11.1 QD1 LEU 6 - HB VAL 58 far 0 68 0 - 7.9-10.0 QG2 VAL 32 - HG3 MET 74 far 0 49 0 - 8.2-10.4 QD1 LEU 70 - HB VAL 58 far 0 99 0 - 8.6-10.7 QG2 ILE 15 - HB VAL 58 far 0 100 0 - 9.0-10.3 QD2 LEU 42 - HB VAL 58 far 0 59 0 - 9.5-10.6 QD2 LEU 70 - HB VAL 58 far 0 100 0 - 9.6-11.2 QD2 LEU 103 - HG3 MET 74 far 0 54 0 - 9.9-20.2 Violated in 0 structures by 0.00 A. Peak 10703 from cnoeabs.peaks (0.81, 5.25, 58.24 ppm; 3.97 A): 2 out of 9 assignments used, quality = 0.95: QG2 ILE 8 + HA VAL 58 OK 87 87 100 100 3.0-4.0 2.1/9374=80, 8302=54...(35) QG2 ILE 7 + HA VAL 58 OK 59 98 100 60 4.7-5.2 256/8298=48, 2.1/9370=14...(4) QD1 LEU 57 - HA VAL 58 far 5 95 5 - 5.5-5.8 QG2 VAL 32 - HA VAL 58 far 5 91 5 - 5.4-6.7 QD2 LEU 57 - HA VAL 58 far 0 96 0 - 5.6-6.0 QD2 LEU 38 - HA VAL 58 far 0 98 0 - 5.7-7.5 QG2 ILE 15 - HA VAL 58 far 0 100 0 - 7.3-8.4 QD1 LEU 70 - HA VAL 58 far 0 100 0 - 9.1-11.7 QD2 LEU 103 - HA VAL 58 far 0 96 0 - 9.5-20.8 Violated in 0 structures by 0.00 A. Peak 10704 from cnoeabs.peaks (2.51, 0.72, 21.78 ppm; 4.99 A): 1 out of 3 assignments used, quality = 0.99: HG3 GLU 63 + QG1 VAL 58 OK 99 99 100 100 3.4-4.5 3.0/9381=81...(24) HB2 ASP 61 - QG1 VAL 58 far 0 100 0 - 7.4-7.9 HG3 GLN 72 - QG1 VAL 58 far 0 77 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10705 from cnoeabs.peaks (5.38, 0.68, 19.32 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.99: HA LEU 57 + QG2 VAL 58 OK 99 99 100 100 3.9-4.2 10706/2.1=76...(23) Violated in 0 structures by 0.00 A. Peak 10706 from cnoeabs.peaks (5.38, 0.72, 21.78 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 57 + QG1 VAL 58 OK 96 96 100 99 3.7-4.0 6945/2667=73...(22) Violated in 0 structures by 0.00 A. Peak 10708 from cnoeabs.peaks (7.73, 5.25, 58.24 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: H ASN 60 + HA VAL 58 OK 100 100 100 100 4.2-4.3 9422=100, 6967/6958=87...(13) H LEU 64 + HA VAL 58 OK 97 98 100 99 5.4-5.9 4.6/9373=42, ~9388=38...(13) Violated in 0 structures by 0.00 A. Peak 10709 from cnoeabs.peaks (7.72, 2.60, 33.16 ppm; 3.95 A): 3 out of 6 assignments used, quality = 1.00: H ASN 60 + HB VAL 58 OK 100 100 100 100 2.4-2.8 9410=100, 6967/6959=68...(22) H LEU 64 + HB VAL 58 OK 99 100 100 99 3.1-3.8 7032/10233=43...(21) H MET 74 + HG3 MET 74 OK 53 53 100 100 2.2-3.9 7228/1.8=71, 7229=69...(19) H VAL 78 - HG3 MET 74 far 0 44 0 - 6.1-9.2 H SER 85 - HB VAL 58 far 0 65 0 - 8.7-10.5 H SER 49 - HG3 MET 74 far 0 66 0 - 8.9-11.4 Violated in 0 structures by 0.00 A. Peak 10710 from cnoeabs.peaks (9.11, 0.68, 19.32 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: H VAL 83 + QG2 VAL 58 OK 100 100 100 100 2.7-3.3 7343/10228=73...(19) Violated in 0 structures by 0.00 A. Peak 10711 from cnoeabs.peaks (8.71, 0.68, 19.32 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: H LYS 82 + QG2 VAL 58 OK 100 100 100 100 3.6-4.1 3.0/10228=89...(21) Violated in 0 structures by 0.00 A. Peak 10713 from cnoeabs.peaks (8.72, 0.72, 21.78 ppm; 5.97 A): 2 out of 2 assignments used, quality = 1.00: H LYS 82 + QG1 VAL 58 OK 100 100 100 100 5.0-5.7 10711/2.1=96...(17) H ARG 81 + QG1 VAL 58 OK 58 59 100 98 3.2-4.5 4.2/10223=50...(21) Violated in 0 structures by 0.00 A. Peak 10714 from cnoeabs.peaks (8.94, 0.72, 21.78 ppm; 5.41 A): 1 out of 2 assignments used, quality = 1.00: H LEU 57 + QG1 VAL 58 OK 100 100 100 100 3.7-4.2 3.0/10706=85...(19) H VAL 5 - QG1 VAL 58 far 0 95 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 10716 from cnoeabs.peaks (2.28, 0.72, 21.78 ppm; 4.56 A): 2 out of 6 assignments used, quality = 0.98: HG2 GLU 63 + QG1 VAL 58 OK 95 95 100 100 3.7-4.6 3.0/9381=72...(26) HG2 GLU 62 + QG1 VAL 58 OK 56 96 80 73 5.7-6.2 10718/2.1=21...(14) HG3 GLU 62 - QG1 VAL 58 far 0 96 0 - 6.1-6.7 HD3 ARG 81 - QG1 VAL 58 far 0 77 0 - 6.8-8.1 HG2 GLU 37 - QG1 VAL 58 far 0 92 0 - 8.1-11.0 HB2 TYR 41 - QG1 VAL 58 far 0 65 0 - 8.4-9.3 Violated in 0 structures by 0.00 A. Peak 10717 from cnoeabs.peaks (2.30, 0.68, 19.32 ppm; 5.69 A): 4 out of 4 assignments used, quality = 1.00: HG2 GLU 63 + QG2 VAL 58 OK 100 100 100 100 2.9-4.6 3.0/10220=91, ~10704=72...(24) HD3 ARG 81 + QG2 VAL 58 OK 70 98 85 84 5.9-7.3 7330/10711=65...(5) HG2 GLU 62 + QG2 VAL 58 OK 60 71 100 84 5.4-6.2 10716/2.1=31...(9) HG3 GLU 62 + QG2 VAL 58 OK 55 71 100 77 6.1-6.9 ~10716=29, 4.9/9391=24...(8) Violated in 0 structures by 0.00 A. Peak 10718 from cnoeabs.peaks (2.29, 2.60, 33.16 ppm; 5.20 A): 3 out of 7 assignments used, quality = 1.00: HG2 GLU 63 + HB VAL 58 OK 99 99 100 100 2.9-4.0 3.0/10700=87...(20) HG2 GLU 62 + HB VAL 58 OK 69 87 100 80 5.9-6.6 10716/2.1=32...(11) HG3 GLU 43 + HG3 MET 74 OK 30 37 100 82 2.7-6.0 10280/3.4=45, ~3368=21...(14) HG3 GLU 62 - HB VAL 58 far 9 87 10 - 6.2-7.6 HB2 TYR 41 - HG3 MET 74 far 0 47 0 - 7.2-9.3 HD3 ARG 81 - HB VAL 58 far 0 91 0 - 9.3-11.0 HB2 TYR 4 - HG3 MET 74 far 0 66 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 10720 from cnoeabs.peaks (8.39, 0.72, 21.78 ppm; 5.17 A): 3 out of 3 assignments used, quality = 1.00: H GLU 63 + QG1 VAL 58 OK 100 100 100 100 4.2-4.5 7020/9381=75...(25) H GLU 62 + QG1 VAL 58 OK 91 96 100 95 6.0-6.5 10741/10226=31...(16) H THR 80 + QG1 VAL 58 OK 31 82 55 69 5.9-7.1 4.0/10223=44...(6) Violated in 0 structures by 0.00 A. Peak 10721 from cnoeabs.peaks (9.11, 5.06, 59.32 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: H VAL 83 + HA SER 59 OK 100 100 100 100 2.4-3.7 9772=98, 7343/10723=46...(9) Violated in 0 structures by 0.00 A. Peak 10723 from cnoeabs.peaks (4.71, 5.06, 59.32 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.99: HA LYS 82 + HA SER 59 OK 99 99 100 100 3.9-5.1 7343/10721=76...(10) Violated in 6 structures by 0.11 A. Peak 10726 from cnoeabs.peaks (0.70, 5.06, 59.32 ppm; 3.91 A): 2 out of 8 assignments used, quality = 0.87: QG2 VAL 58 + HA SER 59 OK 78 79 100 99 3.2-3.7 ~6959=38, 6960/3.0=35...(21) QD1 LEU 14 + HA SER 59 OK 42 82 85 60 4.5-5.5 9807/9798=18...(8) QD2 LEU 14 - HA SER 59 poor 16 100 30 55 4.4-6.1 10403/10728=36...(5) QG1 VAL 58 - HA SER 59 far 0 96 0 - 5.4-5.5 QD1 LEU 64 - HA SER 59 far 0 63 0 - 6.4-7.8 QD1 ILE 8 - HA SER 59 far 0 100 0 - 6.6-7.8 QD1 ILE 56 - HA SER 59 far 0 100 0 - 9.3-10.8 QG1 VAL 5 - HA SER 59 far 0 90 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 10727 from cnoeabs.peaks (1.12, 5.06, 59.32 ppm; 4.60 A): 1 out of 2 assignments used, quality = 0.95: HG3 LYS 82 + HA SER 59 OK 95 96 100 100 3.1-4.4 1.8/10935=68, 10937=66...(9) QG2 THR 31 - HA SER 59 far 0 93 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 10728 from cnoeabs.peaks (0.98, 5.06, 59.32 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.97: QG2 VAL 83 + HA SER 59 OK 93 96 100 97 2.9-3.7 7354/10721=56, 9784=40...(12) QG1 VAL 83 + HA SER 59 OK 49 73 70 95 5.0-5.6 4.0/10721=48...(12) QG2 THR 80 - HA SER 59 far 0 100 0 - 7.5-9.6 Violated in 0 structures by 0.00 A. Peak 10736 from cnoeabs.peaks (7.94, 4.37, 57.35 ppm; 4.35 A): 1 out of 1 assignment used, quality = 0.89: H ASP 65 + HA ASP 61 OK 89 90 100 100 3.5-4.7 7049/9449=64...(16) Violated in 1 structures by 0.02 A. Peak 10737 from cnoeabs.peaks (7.72, 2.73, 40.38 ppm; 5.54 A): 3 out of 4 assignments used, quality = 1.00: H LEU 64 + HB3 ASP 61 OK 99 100 100 100 5.6-6.0 9470/3.0=93, 10238=44...(18) H ASN 60 + HB3 ASP 61 OK 80 100 90 89 6.3-7.2 9441/3.0=43, 9435/4.4=37...(11) H LEU 64 + HB2 ASP 65 OK 75 75 100 100 4.4-5.5 7047/7055=90...(18) H ASN 60 - HB2 ASP 65 far 0 75 0 - 8.0-9.4 Violated in 0 structures by 0.00 A. Peak 10742 from cnoeabs.peaks (7.72, 4.12, 59.59 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: H LEU 64 + HA GLU 62 OK 100 100 100 100 4.1-4.8 7028=100, 7047/7044=81...(12) H ASN 60 - HA GLU 62 far 0 99 0 - 7.0-7.2 Violated in 0 structures by 0.00 A. Peak 10743 from cnoeabs.peaks (4.35, 4.12, 59.59 ppm; 4.54 A): 2 out of 2 assignments used, quality = 0.98: HA ASP 61 + HA GLU 62 OK 96 97 100 99 4.7-4.8 9470/7028=49...(15) HA ASP 65 + HA GLU 62 OK 52 61 85 100 5.4-6.1 3.0/7044=77, 3.6/7060=74...(11) Violated in 13 structures by 0.03 A. Peak 10744 from cnoeabs.peaks (0.78, 2.20, 29.93 ppm; 4.76 A): 2 out of 11 assignments used, quality = 1.00: QG2 ILE 8 + HB2 GLU 63 OK 100 100 100 100 1.9-2.4 3.0/8308=61...(23) QD2 LEU 38 + HB2 GLU 63 OK 28 57 100 49 3.2-6.2 10745/3.0=23...(6) QD1 LEU 70 - HB2 GLU 63 far 0 71 0 - 6.5-9.1 QG2 ILE 7 - HB2 GLU 63 far 0 96 0 - 6.9-7.6 QD1 LEU 6 - HB2 GLU 63 far 0 98 0 - 7.3-9.9 QD1 ILE 15 - HB2 GLU 63 far 0 88 0 - 7.9-9.1 QD2 LEU 70 - HB2 GLU 63 far 0 85 0 - 7.9-9.8 QD2 LEU 57 - HB2 GLU 63 far 0 98 0 - 8.1-9.4 QD2 LEU 42 - HB2 GLU 63 far 0 96 0 - 8.8-10.3 HG13 ILE 15 - HB2 GLU 63 far 0 81 0 - 8.9-10.4 QG2 ILE 15 - HB2 GLU 63 far 0 82 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10745 from cnoeabs.peaks (0.80, 3.91, 58.27 ppm; 4.26 A): 2 out of 10 assignments used, quality = 0.97: QG2 ILE 8 + HA GLU 63 OK 94 97 100 97 3.2-3.8 10746/3.0=40...(22) QD2 LEU 38 + HA GLU 63 OK 52 90 85 68 3.8-6.8 9517/9459=15...(13) QD1 LEU 70 - HA GLU 63 far 0 96 0 - 5.9-7.9 QG2 VAL 32 - HA GLU 63 far 0 75 0 - 6.0-7.6 QD2 LEU 70 - HA GLU 63 far 0 100 0 - 6.7-8.4 QD1 LEU 6 - HA GLU 63 far 0 77 0 - 8.1-10.9 QG2 ILE 7 - HA GLU 63 far 0 100 0 - 8.7-9.5 QD2 LEU 42 - HA GLU 63 far 0 70 0 - 8.8-10.6 QD2 LEU 57 - HA GLU 63 far 0 100 0 - 9.7-10.5 QD1 LEU 57 - HA GLU 63 far 0 82 0 - 9.9-10.4 Violated in 0 structures by 0.00 A. Peak 10746 from cnoeabs.peaks (0.81, 1.78, 29.93 ppm; 4.56 A): 2 out of 9 assignments used, quality = 0.92: QG2 ILE 8 + HB3 GLU 63 OK 88 88 100 100 1.9-3.6 9396/9399=48...(23) QD2 LEU 38 + HB3 GLU 63 OK 33 98 80 42 4.4-7.2 10745/3.0=24...(6) QG2 VAL 32 - HB3 GLU 63 far 4 90 5 - 6.0-7.5 QG2 ILE 7 - HB3 GLU 63 far 0 99 0 - 7.2-7.9 QD1 LEU 70 - HB3 GLU 63 far 0 100 0 - 7.7-9.8 QD1 LEU 6 - HB3 GLU 63 far 0 59 0 - 7.8-10.7 QD1 LEU 57 - HB3 GLU 63 far 0 94 0 - 7.9-9.5 QD2 LEU 57 - HB3 GLU 63 far 0 97 0 - 8.0-9.4 QD2 LEU 70 - HB3 GLU 63 far 0 100 0 - 8.4-10.5 Violated in 0 structures by 0.00 A. Peak 10747 from cnoeabs.peaks (1.50, 1.78, 29.93 ppm; 4.60 A): 1 out of 9 assignments used, quality = 0.93: HB3 LEU 64 + HB3 GLU 63 OK 93 100 95 98 4.3-6.4 3.9/7032=60...(16) HG3 LYS 66 - HB3 GLU 63 poor 20 100 20 - 5.4-8.1 HG2 LYS 66 - HB3 GLU 63 poor 20 100 20 - 4.6-7.3 HD2 LYS 82 - HB3 GLU 63 poor 12 61 20 - 5.4-8.6 HG LEU 38 - HB3 GLU 63 far 3 61 5 - 6.0-9.5 HG LEU 64 - HB3 GLU 63 far 0 95 0 - 6.2-8.2 HG12 ILE 56 - HB3 GLU 63 far 0 70 0 - 8.1-9.9 HB ILE 7 - HB3 GLU 63 far 0 85 0 - 9.5-10.4 HG3 LYS 33 - HB3 GLU 63 far 0 100 0 - 9.5-11.9 Violated in 14 structures by 0.18 A. Peak 10748 from cnoeabs.peaks (1.34, 1.78, 29.93 ppm; 5.18 A): 3 out of 6 assignments used, quality = 1.00: QB ALA 67 + HB3 GLU 63 OK 96 100 100 97 4.3-6.1 ~10750=44, ~7080=29...(17) HG12 ILE 8 + HB3 GLU 63 OK 91 91 100 100 4.7-6.0 ~8308=61, 3.1/10746=56...(26) HB2 LYS 82 + HB3 GLU 63 OK 28 100 30 94 5.8-9.2 9416/9414=45...(13) HG3 LYS 68 - HB3 GLU 63 far 0 100 0 - 8.8-11.7 QB ALA 89 - HB3 GLU 63 far 0 100 0 - 9.1-10.8 HB2 LEU 70 - HB3 GLU 63 far 0 82 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 10750 from cnoeabs.peaks (8.49, 3.91, 58.27 ppm; 4.69 A): 1 out of 3 assignments used, quality = 0.99: H ALA 67 + HA GLU 63 OK 99 99 100 100 3.2-5.0 7077/7061=77, 7080=65...(20) H VAL 32 - HA GLU 63 far 0 99 0 - 8.2-9.5 H ILE 7 - HA GLU 63 far 0 75 0 - 9.8-11.2 Violated in 1 structures by 0.02 A. Peak 10751 from cnoeabs.peaks (7.93, 3.91, 58.27 ppm; 5.54 A): 1 out of 3 assignments used, quality = 0.99: H ASP 65 + HA GLU 63 OK 99 99 100 100 4.1-4.8 7046=99, 7047/3.6=93...(16) H GLU 69 - HA GLU 63 far 4 84 5 - 7.0-8.2 H LEU 70 - HA GLU 63 far 0 73 0 - 7.8-9.4 Violated in 0 structures by 0.00 A. Peak 10752 from cnoeabs.peaks (8.81, 1.78, 29.93 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.99: H SER 59 + HB3 GLU 63 OK 94 94 100 100 3.0-4.8 9399=91, 9401/1.8=85...(13) H ILE 8 + HB3 GLU 63 OK 89 94 100 95 5.3-6.4 4.0/10746=47...(8) Violated in 0 structures by 0.00 A. Peak 10753 from cnoeabs.peaks (8.80, 2.20, 29.93 ppm; 5.31 A): 2 out of 2 assignments used, quality = 1.00: H SER 59 + HB2 GLU 63 OK 100 100 100 100 3.8-4.9 9401=100, 9399/1.8=95...(10) H ILE 8 + HB2 GLU 63 OK 99 100 100 99 5.2-6.1 8298/9373=62...(7) Violated in 0 structures by 0.00 A. Peak 10754 from cnoeabs.peaks (8.42, 0.74, 24.36 ppm; 5.51 A): 3 out of 3 assignments used, quality = 1.00: H THR 80 + QD1 LEU 64 OK 100 100 100 100 3.9-4.6 7307/10762=94...(13) H GLU 63 + QD1 LEU 64 OK 68 73 100 92 6.4-6.7 4.6/2842=68, 7025/4.9=34...(10) H GLU 62 + QD1 LEU 64 OK 42 99 45 95 6.7-7.1 10735/4.9=54...(10) Violated in 0 structures by 0.00 A. Peak 10755 from cnoeabs.peaks (8.54, 0.74, 24.36 ppm; 5.40 A): 2 out of 2 assignments used, quality = 0.99: H VAL 58 + QD1 LEU 64 OK 99 100 100 99 3.8-4.8 9770/7328=54...(15) H ASP 61 + QD1 LEU 64 OK 47 73 65 99 6.5-7.1 ~9447=60, ~9449=55...(18) Violated in 0 structures by 0.00 A. Peak 10756 from cnoeabs.peaks (5.34, 0.74, 24.36 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: HA THR 80 + QD1 LEU 64 OK 100 100 100 100 3.5-4.1 3.2/10762=90...(22) Violated in 0 structures by 0.00 A. Peak 10757 from cnoeabs.peaks (2.70, 2.11, 41.70 ppm; 4.96 A): 3 out of 3 assignments used, quality = 1.00: HB2 ASP 65 + HB2 LEU 64 OK 99 99 100 100 4.2-5.2 7055/7049=93, ~9503=40...(29) HB3 ASP 61 + HB2 LEU 64 OK 80 81 100 100 4.5-5.4 3.0/9449=90, ~9447=40...(22) HE2 LYS 82 + HB2 LEU 64 OK 68 70 100 98 2.4-6.3 ~10940=37, 12331/3.1=36...(20) Violated in 0 structures by 0.00 A. Peak 10758 from cnoeabs.peaks (1.35, 1.49, 41.70 ppm; 4.40 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 82 + HB3 LEU 64 OK 99 99 100 100 2.0-3.9 10252/3.1=74...(33) QB ALA 67 + HB3 LEU 64 OK 96 97 100 99 5.0-5.8 2981/3.0=72...(23) HG3 LYS 68 - HB3 LEU 64 far 10 100 10 - 5.5-8.8 HG12 ILE 8 - HB3 LEU 64 far 0 98 0 - 6.6-8.9 QB ALA 89 - HB3 LEU 64 far 0 98 0 - 8.7-9.9 Violated in 0 structures by 0.00 A. Peak 10759 from cnoeabs.peaks (1.77, 3.75, 58.94 ppm; 5.01 A): 4 out of 6 assignments used, quality = 1.00: HB3 GLU 63 + HA LEU 64 OK 100 100 100 100 3.8-5.5 7032/3.0=82...(20) HB ILE 56 + HA LEU 64 OK 92 99 100 93 4.1-5.5 9729/9476=59...(7) HB2 LYS 66 + HA LEU 64 OK 47 100 50 95 6.0-6.9 2895/7081=65...(7) HB3 LYS 82 + HA LEU 64 OK 25 99 25 100 5.9-7.5 9759/9388=66...(18) HB VAL 78 - HA LEU 64 far 0 99 0 - 8.7-10.0 HB2 GLU 104 - HA LEU 64 far 0 63 0 - 9.4-20.6 Violated in 0 structures by 0.00 A. Peak 10760 from cnoeabs.peaks (0.97, 2.11, 41.70 ppm; 5.54 A): 2 out of 3 assignments used, quality = 1.00: QG2 THR 80 + HB2 LEU 64 OK 100 100 100 100 4.0-5.4 10762/3.1=96...(24) QG2 VAL 83 + HB2 LEU 64 OK 32 99 50 64 6.3-8.0 10221/10219=30...(5) QG1 VAL 83 - HB2 LEU 64 far 0 63 0 - 7.1-8.4 Violated in 0 structures by 0.00 A. Peak 10761 from cnoeabs.peaks (0.96, 1.49, 41.70 ppm; 5.71 A): 3 out of 4 assignments used, quality = 1.00: QG2 THR 80 + HB3 LEU 64 OK 96 96 100 100 2.7-4.8 9476/3.0=94...(29) QG2 VAL 83 + HB3 LEU 64 OK 85 100 100 85 5.7-6.5 9788/6948=34...(10) HB2 ARG 81 + HB3 LEU 64 OK 72 73 100 98 6.1-7.1 3.0/9481=45, ~3579=30...(18) HG LEU 55 - HB3 LEU 64 far 0 100 0 - 8.3-10.1 Violated in 0 structures by 0.00 A. Peak 10762 from cnoeabs.peaks (0.98, 0.74, 24.36 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.99: QG2 THR 80 + QD1 LEU 64 OK 99 100 100 99 2.0-3.2 2.1/10244=56...(33) QG1 VAL 83 - QD1 LEU 64 far 0 81 0 - 5.2-6.0 QG2 VAL 83 - QD1 LEU 64 far 0 93 0 - 5.5-6.2 HG LEU 55 - QD1 LEU 64 far 0 94 0 - 6.6-7.6 QG2 VAL 5 - QD1 LEU 64 far 0 65 0 - 8.9-10.4 Violated in 4 structures by 0.01 A. Peak 10763 from cnoeabs.peaks (2.10, 2.64, 40.20 ppm; 4.88 A): 4 out of 9 assignments used, quality = 1.00: HB2 LEU 64 + HB3 ASP 65 OK 99 99 100 100 4.0-6.2 7049/7056=90, ~9503=39...(25) HB3 GLU 62 + HB3 ASP 65 OK 84 96 90 97 5.2-6.5 3.0/2864=82, ~2858=39...(8) HG2 GLU 69 + HB3 ASP 65 OK 59 88 95 70 3.2-8.3 3110/9538=41...(11) HB2 GLU 69 + HB3 ASP 65 OK 57 88 90 71 4.8-7.9 4.0/9538=45...(9) HB3 GLU 69 - HB3 ASP 65 poor 16 88 35 51 6.0-8.7 4.0/9538=45...(4) HB3 GLU 35 - HB3 ASP 65 far 0 88 0 - 7.9-10.8 HB2 GLU 75 - HB3 ASP 77 far 0 71 0 - 8.0-9.4 HB3 LEU 38 - HB3 ASP 65 far 0 75 0 - 9.3-11.6 HG3 GLU 104 - HB3 ASP 65 far 0 100 0 - 9.4-23.0 Violated in 0 structures by 0.00 A. Peak 10765 from cnoeabs.peaks (3.77, 4.31, 57.27 ppm; 5.28 A): 2 out of 2 assignments used, quality = 0.98: HA LEU 64 + HA ASP 65 OK 94 94 100 100 4.7-4.8 7099/7100=75...(28) HA LYS 68 + HA ASP 65 OK 63 63 100 100 4.8-5.2 2.9/7100=90, 3.6/7118=75...(23) Violated in 0 structures by 0.00 A. Peak 10770 from cnoeabs.peaks (4.43, 2.64, 40.20 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.98: HA ILE 76 + HB3 ASP 77 OK 98 99 100 99 4.2-5.6 7262/7270=76...(14) HA GLN 50 - HB3 ASP 77 far 7 73 10 - 5.9-8.5 HA LEU 2 - HB3 ASP 77 far 0 67 0 - 9.0-12.0 HA GLU 48 - HB3 ASP 77 far 0 99 0 - 9.1-12.6 Violated in 11 structures by 0.21 A. Peak 10771 from cnoeabs.peaks (8.78, 2.63, 40.23 ppm; 5.07 A): 0 out of 2 assignments used, quality = 0.00: H ARG 81 - HB3 ASP 65 far 0 87 0 - 9.0-10.9 H SER 59 - HB3 ASP 65 far 0 93 0 - 9.8-10.5 Violated in 20 structures by 3.98 A. Peak 10772 from cnoeabs.peaks (8.48, 4.31, 57.27 ppm; 5.12 A): 1 out of 3 assignments used, quality = 1.00: H ALA 67 + HA ASP 65 OK 100 100 100 100 4.6-4.9 7077/3.6=90...(20) H ALA 67 - HA ASP 36 far 0 48 0 - 9.3-10.7 H ARG 79 - HA ASP 65 far 0 93 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 10774 from cnoeabs.peaks (8.19, 4.08, 58.43 ppm; 4.76 A): 1 out of 3 assignments used, quality = 1.00: H LYS 68 + HA LYS 66 OK 100 100 100 100 4.2-4.5 7102=88, 7103/3.6=82...(15) H GLU 43 - HA ARG 46 far 0 87 0 - 6.6-7.3 H ASP 36 - HA LYS 66 far 0 100 0 - 7.9-9.4 Violated in 0 structures by 0.00 A. Peak 10776 from cnoeabs.peaks (7.92, 1.77, 31.73 ppm; 5.29 A): 2 out of 3 assignments used, quality = 1.00: H ASP 65 + HB2 LYS 66 OK 100 100 100 100 4.3-6.3 7057/7069=96...(15) H GLU 69 + HB2 LYS 66 OK 95 96 100 99 5.4-5.9 7119/3.0=86...(14) H GLN 72 - HB2 LYS 66 far 0 99 0 - 9.0-10.1 Violated in 0 structures by 0.00 A. Peak 10777 from cnoeabs.peaks (7.93, 1.86, 31.73 ppm; 5.04 A): 3 out of 4 assignments used, quality = 1.00: H ASP 65 + HB3 LYS 66 OK 98 98 100 100 4.3-5.3 7057/7070=92...(16) H GLU 69 + HB3 LYS 66 OK 73 77 100 94 5.3-5.9 7119/3.0=61...(11) H LEU 70 + HB3 LYS 66 OK 52 81 95 68 5.4-6.6 7139/3.0=53, 4.6/9516=15...(5) H GLN 72 - HB3 LYS 66 far 0 87 0 - 9.2-10.2 Violated in 0 structures by 0.00 A. Peak 10778 from cnoeabs.peaks (7.94, 1.49, 24.58 ppm; 5.07 A): 3 out of 8 assignments used, quality = 0.95: H ASP 65 + HG2 LYS 66 OK 73 91 85 95 3.8-7.1 7057/4.8=61, 9492/3.0=33...(14) H ASP 65 + HG3 LYS 66 OK 71 91 85 93 5.5-7.2 7057/4.8=61, 9492/3.0=33...(12) H GLU 69 + HG2 LYS 66 OK 40 59 80 84 6.2-7.1 7119/3.7=38...(11) H LEU 70 - HG3 LYS 66 far 14 93 15 - 4.7-8.2 H LEU 70 - HG2 LYS 66 far 14 93 15 - 6.3-7.8 H GLU 69 - HG3 LYS 66 far 9 59 15 - 5.7-7.4 H GLN 72 - HG3 LYS 66 far 0 71 0 - 8.8-11.9 H LEU 42 - HG3 LYS 66 far 0 91 0 - 10.0-14.1 Violated in 3 structures by 0.11 A. Peak 10779 from cnoeabs.peaks (8.49, 2.64, 40.20 ppm; 4.91 A): 3 out of 5 assignments used, quality = 1.00: H ALA 67 + HB3 ASP 65 OK 97 97 100 100 5.3-6.2 7077/7067=85...(20) H VAL 54 + HB3 ASP 77 OK 93 99 95 99 3.9-6.5 9242/1.8=82...(15) H LYS 53 + HB3 ASP 77 OK 51 80 65 97 4.1-7.0 3.0/9678=73, ~9673=55...(11) H ARG 79 - HB3 ASP 77 far 0 99 0 - 7.0-8.1 H LEU 2 - HB3 ASP 77 far 0 94 0 - 7.0-10.8 Violated in 5 structures by 0.03 A. Peak 10781 from cnoeabs.peaks (1.08, 1.70, 27.82 ppm; 6.41 A): 0 out of 0 assignments used, quality = 0.00: Peak 10782 from cnoeabs.peaks (0.81, 1.70, 27.82 ppm; 4.70 A): 3 out of 5 assignments used, quality = 1.00: QD2 LEU 70 + HD3 LYS 66 OK 92 100 100 92 3.3-6.1 10821/2.9=26...(19) QD1 LEU 70 + HD3 LYS 66 OK 88 100 100 88 4.0-6.0 ~12323=18, 3161=18...(19) QD2 LEU 38 + HD3 LYS 66 OK 66 99 75 89 3.7-8.0 9517/2.9=51, 9517/2.9=33...(15) QG2 ILE 8 - HD3 LYS 66 far 0 82 0 - 6.9-8.4 QG2 VAL 32 - HD3 LYS 66 far 0 94 0 - 8.4-10.1 Violated in 0 structures by 0.00 A. Peak 10783 from cnoeabs.peaks (1.75, 1.34, 17.79 ppm; 3.89 A): 3 out of 9 assignments used, quality = 1.00: HB ILE 56 + QB ALA 67 OK 97 97 100 100 2.9-3.9 2.1/9528=83...(24) HB2 LYS 66 + QB ALA 67 OK 92 95 100 97 4.0-4.8 2895/2.9=56...(21) HB3 GLU 63 + QB ALA 67 OK 40 79 65 78 4.3-6.1 ~10750=23, ~7080=15...(16) HB VAL 78 - QB ALA 67 poor 19 75 25 - 4.9-6.5 HB3 LEU 70 - QB ALA 67 poor 14 70 20 - 5.1-6.1 HD2 ARG 81 - QB ALA 67 far 0 87 0 - 8.3-9.3 HB3 LYS 82 - QB ALA 67 far 0 96 0 - 8.4-9.7 HD3 LYS 33 - QB ALA 67 far 0 85 0 - 8.5-9.7 HD2 LYS 33 - QB ALA 67 far 0 85 0 - 8.8-11.1 Violated in 0 structures by 0.00 A. Peak 10784 from cnoeabs.peaks (1.86, 1.34, 17.79 ppm; 4.12 A): 5 out of 10 assignments used, quality = 1.00: HB3 LYS 66 + QB ALA 67 OK 99 100 100 99 3.5-4.1 2907/2.9=66...(21) HB3 LYS 68 + QB ALA 67 OK 94 98 100 96 4.2-4.8 4.0/2985=57, 3.0/2991=35...(20) HB2 LYS 68 + QB ALA 67 OK 85 91 100 94 4.2-5.5 4.0/2985=57, 3.0/2991=35...(12) HB ILE 8 + QB ALA 67 OK 55 65 95 88 4.3-5.8 10383/9528=25...(21) HG LEU 42 + QB ALA 67 OK 29 63 80 57 4.4-5.9 2.1/1946=13, ~8924=11...(15) HB3 LYS 39 - QB ALA 67 far 0 100 0 - 6.2-8.5 HB VAL 54 - QB ALA 67 far 0 84 0 - 6.3-7.6 HB3 LEU 57 - QB ALA 67 far 0 68 0 - 7.3-8.3 HB VAL 5 - QB ALA 67 far 0 100 0 - 9.5-10.8 HG2 ARG 46 - QB ALA 67 far 0 70 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 10785 from cnoeabs.peaks (7.93, 1.34, 17.79 ppm; 4.82 A): 3 out of 5 assignments used, quality = 1.00: H ASP 65 + QB ALA 67 OK 99 99 100 100 5.1-5.6 3.6/2981=76...(23) H GLU 69 + QB ALA 67 OK 84 84 100 100 4.5-4.9 7121/2.1=71...(25) H LEU 70 + QB ALA 67 OK 70 73 100 95 4.3-5.2 7116/2985=49...(19) H LEU 42 - QB ALA 67 poor 14 70 20 - 6.0-7.2 H GLN 72 - QB ALA 67 far 9 92 10 - 6.0-6.9 Violated in 0 structures by 0.00 A. Peak 10787 from cnoeabs.peaks (3.67, 1.34, 17.35 ppm; 4.01 A): 3 out of 4 assignments used, quality = 1.00: HA LYS 90 + QB ALA 89 OK 100 100 100 100 3.7-3.8 3.0/3910=71...(23) HA GLU 88 + QB ALA 89 OK 99 99 100 100 4.9-5.0 3.6/7407=70, 3.0/9916=32...(23) HA LEU 14 + QB ALA 89 OK 93 96 100 97 3.7-4.7 9885/10971=50, 587=31...(18) HB THR 80 - QB ALA 89 far 0 98 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 10788 from cnoeabs.peaks (3.69, 1.64, 25.26 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.99: HB THR 80 + HG2 LYS 68 OK 99 99 100 100 2.0-6.4 2.1/10256=88, ~12321=68...(24) HA LEU 42 - HG3 LYS 47 far 0 58 0 - 7.9-10.3 Violated in 11 structures by 0.52 A. Peak 10790 from cnoeabs.peaks (4.15, 1.64, 25.26 ppm; 5.46 A): 1 out of 5 assignments used, quality = 0.62: HA LYS 47 + HG3 LYS 47 OK 62 62 100 100 2.5-3.5 3.9=100 HA GLN 72 - HG2 LYS 68 far 0 100 0 - 7.0-9.8 HA GLU 62 - HG2 LYS 68 far 0 82 0 - 8.0-10.8 HA LYS 73 - HG2 LYS 68 far 0 88 0 - 9.2-12.9 HA GLU 104 - HG2 LYS 68 far 0 90 0 - 9.6-19.9 Violated in 0 structures by 0.00 A. Peak 10791 from cnoeabs.peaks (4.17, 3.81, 59.98 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.86: HA GLU 23 + HA ARG 19 OK 69 91 80 95 5.7-7.2 10446/786=46...(7) HA GLN 72 + HA LYS 68 OK 56 97 65 90 6.3-7.2 3.9/12324=44...(7) HA LYS 73 - HA LYS 68 far 0 100 0 - 9.3-10.1 Violated in 20 structures by 0.53 A. Peak 10792 from cnoeabs.peaks (4.00, 1.35, 25.26 ppm; 5.81 A): 2 out of 6 assignments used, quality = 1.00: HA GLU 69 + HG3 LYS 68 OK 100 100 100 100 3.2-6.4 4.9/3033=78...(26) HA LEU 70 + HG2 LYS 39 OK 34 58 65 90 3.6-7.9 10814/10570=28...(18) HA LEU 70 - HG3 LYS 68 far 0 94 0 - 7.3-10.0 HA GLU 69 - HG2 LYS 39 far 0 66 0 - 8.4-12.2 HA GLU 75 - HG3 LYS 68 far 0 100 0 - 9.4-12.5 HA GLU 75 - HG2 LYS 39 far 0 67 0 - 9.7-13.6 Violated in 1 structures by 0.00 A. Peak 10793 from cnoeabs.peaks (1.86, 4.00, 59.02 ppm; 4.42 A): 2 out of 7 assignments used, quality = 1.00: HB3 LYS 68 + HA GLU 69 OK 98 98 100 99 4.3-5.1 7125/3.0=49...(24) HB2 LYS 68 + HA GLU 69 OK 90 91 100 99 3.9-5.6 3008/3.0=51...(22) HB3 GLU 104 - HA GLU 95 far 2 34 5 - 4.8-15.9 HB3 LYS 66 - HA GLU 69 far 0 100 0 - 7.9-8.7 HB3 LYS 39 - HA GLU 69 far 0 100 0 - 8.5-11.0 HB3 LYS 90 - HA GLU 95 far 0 26 0 - 9.8-11.7 HG LEU 42 - HA GLU 69 far 0 63 0 - 9.9-11.1 Violated in 10 structures by 0.08 A. Peak 10794 from cnoeabs.peaks (1.67, 4.00, 59.02 ppm; 4.46 A): 4 out of 11 assignments used, quality = 1.00: HD2 LYS 68 + HA GLU 69 OK 92 93 100 99 4.5-5.0 3.0/10792=31...(28) HD3 LYS 68 + HA GLU 69 OK 73 92 80 99 5.4-6.6 3.0/10792=31...(27) HG LEU 70 + HA GLU 69 OK 68 82 85 97 5.3-6.1 3150/3.6=50...(17) HG2 LYS 68 + HA GLU 69 OK 63 79 80 99 2.9-6.6 4.6/10789=40...(24) HD2 LYS 73 - HA GLU 69 poor 13 100 25 54 5.7-7.1 3.0/9581=14, 6.4/9578=11...(12) HD3 LYS 73 - HA GLU 69 far 10 100 10 - 5.4-8.1 HD3 LYS 66 - HA GLU 69 far 0 77 0 - 7.0-7.9 HB3 ARG 91 - HA GLU 95 far 0 34 0 - 7.1-8.5 HD2 LYS 39 - HA GLU 69 far 0 95 0 - 8.7-12.1 HB ILE 76 - HA GLU 69 far 0 82 0 - 9.3-10.5 HD3 LYS 39 - HA GLU 69 far 0 77 0 - 9.3-11.9 Violated in 1 structures by 0.00 A. Peak 10795 from cnoeabs.peaks (1.36, 4.00, 59.02 ppm; 5.09 A): 4 out of 7 assignments used, quality = 1.00: HB2 LEU 70 + HA GLU 69 OK 99 99 100 100 5.7-6.1 3133/3.6=84...(24) HG3 LYS 68 + HA GLU 69 OK 98 99 100 100 3.2-6.4 3033/4.9=62...(26) HG3 LYS 94 + HA GLU 95 OK 29 29 100 100 4.1-6.1 7533/3.0=69, ~7532=59...(16) HG2 LYS 94 + HA GLU 95 OK 29 29 100 100 4.0-5.7 7532/3.0=73, ~7533=56...(16) QB ALA 67 - HA GLU 69 poor 18 88 20 - 6.5-6.9 QB ALA 25 - HA GLU 95 poor 6 29 20 - 6.5-7.4 HG2 LYS 39 - HA GLU 69 far 0 96 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 10797 from cnoeabs.peaks (1.69, 2.13, 35.75 ppm; 4.16 A): 5 out of 21 assignments used, quality = 0.95: HG LEU 70 + HG2 GLU 69 OK 62 88 80 88 4.8-6.8 10802/3.0=39...(18) HD3 LYS 66 + HG2 GLU 69 OK 53 85 85 73 3.8-7.2 10802/3.0=21...(14) HD3 LYS 47 + HG2 GLU 44 OK 46 100 65 71 4.7-8.9 12091/4.0=25...(13) HD2 LYS 68 + HG2 GLU 69 OK 28 61 60 77 4.0-7.5 3.5/4538=17, 5.9/9533=14...(14) HB3 LYS 40 + HG2 GLU 44 OK 22 100 35 62 4.6-9.2 2.9/10799=12, ~10185=11...(11) HD2 LYS 47 - HG2 GLU 44 poor 20 100 20 - 4.5-8.6 HD3 LYS 68 - HG2 GLU 69 poor 18 59 30 - 4.9-8.4 HB3 ARG 91 - HG2 GLU 104 far 9 94 10 - 3.6-17.6 HB2 LYS 40 - HG2 GLU 44 far 9 59 15 - 5.4-10.3 HB3 ARG 79 - HG2 GLU 104 far 7 66 10 - 4.1-14.0 HD2 LYS 73 - HG2 GLU 69 far 4 83 5 - 4.4-8.7 HB3 LEU 70 - HG2 GLU 69 far 3 66 5 - 5.4-8.1 HD2 LYS 68 - HG2 GLU 104 far 3 63 5 - 5.5-20.6 HD3 LYS 68 - HG2 GLU 104 far 3 61 5 - 4.6-19.2 HD3 LYS 73 - HG2 GLU 69 far 0 81 0 - 5.8-9.4 HB ILE 52 - HG2 GLU 44 far 0 96 0 - 7.7-12.4 HD2 LYS 39 - HG2 GLU 44 far 0 75 0 - 7.7-13.5 HD2 LYS 39 - HG2 GLU 69 far 0 65 0 - 8.5-13.0 HB3 LYS 53 - HG2 GLU 104 far 0 94 0 - 9.1-16.2 HD3 LYS 90 - HG2 GLU 104 far 0 91 0 - 9.5-22.3 HB2 LEU 2 - HG2 GLU 44 far 0 96 0 - 9.6-15.9 Violated in 1 structures by 0.00 A. Peak 10798 from cnoeabs.peaks (1.49, 2.13, 35.75 ppm; 4.93 A): 4 out of 23 assignments used, quality = 0.82: HG2 LYS 66 + HG2 GLU 69 OK 54 92 75 77 4.8-7.8 3.7/2882=27...(10) HG2 LYS 47 + HG2 GLU 44 OK 36 100 40 89 5.0-10.1 12088/4.0=67...(11) HD2 LYS 40 + HG2 GLU 44 OK 24 87 50 56 3.5-10.7 3.0/10799=17, ~10185=16...(7) HG3 LYS 66 + HG2 GLU 69 OK 23 92 35 70 6.0-9.0 3.7/2882=27...(9) HB3 LEU 103 - HG2 GLU 104 poor 14 59 65 37 3.5-7.7 4.3/7666=37 HD3 LYS 40 - HG2 GLU 44 poor 12 88 25 53 2.3-11.2 3.0/10799=17, ~10185=16...(6) HB2 ARG 91 - HG2 GLU 104 far 9 94 10 - 4.3-17.7 HG2 LYS 73 - HG2 GLU 69 far 5 92 5 - 3.8-8.1 HG LEU 64 - HG2 GLU 104 far 5 93 5 - 5.1-18.4 HG3 ARG 91 - HG2 GLU 104 far 3 57 5 - 6.4-19.9 HG LEU 64 - HG2 GLU 69 far 0 91 0 - 6.7-10.4 HG LEU 2 - HG2 GLU 44 far 0 82 0 - 7.2-14.1 HB3 LEU 64 - HG2 GLU 104 far 0 94 0 - 7.3-18.2 HG LEU 38 - HG2 GLU 69 far 0 68 0 - 7.4-11.2 HG LEU 57 - HG2 GLU 104 far 0 90 0 - 7.7-17.0 HG13 ILE 52 - HG2 GLU 44 far 0 75 0 - 7.9-12.2 HG LEU 6 - HG2 GLU 44 far 0 63 0 - 8.0-11.7 HD2 LYS 82 - HG2 GLU 104 far 0 70 0 - 8.0-20.2 HB2 LEU 38 - HG2 GLU 69 far 0 61 0 - 8.5-10.4 HB3 LEU 64 - HG2 GLU 69 far 0 93 0 - 8.9-12.3 HB2 LEU 38 - HG2 GLU 44 far 0 71 0 - 9.5-12.3 HD2 LYS 53 - HG2 GLU 104 far 0 70 0 - 9.7-17.0 HG LEU 38 - HG2 GLU 44 far 0 79 0 - 10.0-13.6 Violated in 7 structures by 0.18 A. Peak 10799 from cnoeabs.peaks (1.35, 2.13, 35.75 ppm; 5.37 A): 4 out of 16 assignments used, quality = 0.99: HG3 LYS 40 + HG2 GLU 44 OK 79 100 95 83 3.1-8.5 8973/6713=29...(10) HG3 LYS 68 + HG2 GLU 69 OK 78 91 90 95 4.3-7.3 10792/4.1=39...(13) QB ALA 67 + HG2 GLU 69 OK 62 82 85 88 6.1-7.6 3.6/9533=39...(12) HB2 LEU 70 + HG2 GLU 69 OK 61 88 70 99 5.4-7.3 3133/3116=59...(19) HG3 LYS 68 - HG2 GLU 104 far 5 93 5 - 6.4-20.1 HG2 LYS 94 - HG2 GLU 104 far 4 86 5 - 4.9-18.2 HG3 LYS 94 - HG2 GLU 104 far 4 76 5 - 4.4-17.4 HB2 LYS 82 - HG2 GLU 104 far 0 90 0 - 6.9-17.5 HG2 LYS 39 - HG2 GLU 44 far 0 99 0 - 7.3-11.4 HB3 ARG 30 - HG2 GLU 44 far 0 96 0 - 7.8-10.5 QB ALA 89 - HG2 GLU 104 far 0 86 0 - 8.2-17.2 QB ALA 67 - HG2 GLU 104 far 0 84 0 - 8.9-17.1 HB3 LEU 2 - HG2 GLU 44 far 0 88 0 - 9.0-15.2 HG2 LYS 39 - HG2 GLU 69 far 0 89 0 - 9.2-13.4 QB ALA 67 - HG2 GLU 44 far 0 93 0 - 9.8-12.7 QB ALA 25 - HG2 GLU 104 far 0 86 0 - 9.9-18.3 Violated in 0 structures by 0.00 A. Peak 10801 from cnoeabs.peaks (1.34, 2.13, 29.27 ppm; 4.63 A): 5 out of 11 assignments used, quality = 0.99: HB2 LEU 70 + HB2 GLU 69 OK 83 88 95 99 4.8-6.4 3133/4.6=49...(27) HG3 LYS 68 + HB2 GLU 69 OK 72 100 80 90 5.2-7.7 10792/3.0=34...(15) HG3 LYS 68 + HB3 GLU 69 OK 64 100 75 85 5.1-8.2 10792/3.0=34...(12) HB2 LEU 70 + HB3 GLU 69 OK 44 88 50 99 4.9-6.5 3133/4.6=49...(28) QB ALA 67 + HB2 GLU 69 OK 37 99 45 82 5.9-6.7 2985/9533=32...(12) QB ALA 67 - HB3 GLU 69 far 5 99 5 - 6.0-7.6 QB ALA 25 - HB3 GLU 23 far 3 61 5 - 5.9-6.8 HG2 LYS 39 - HB2 GLU 69 far 0 100 0 - 7.3-11.3 HB3 LEU 27 - HB3 GLU 23 far 0 62 0 - 7.7-9.0 HG2 LYS 39 - HB3 GLU 69 far 0 100 0 - 8.1-11.9 QB ALA 89 - HB3 GLU 23 far 0 61 0 - 9.9-11.6 Violated in 2 structures by 0.01 A. Peak 10802 from cnoeabs.peaks (1.69, 2.13, 29.27 ppm; 3.54 A): 2 out of 21 assignments used, quality = 0.92: HG LEU 70 + HB2 GLU 69 OK 85 99 95 90 3.5-5.5 3150/4.6=31...(25) HD3 LYS 66 + HB2 GLU 69 OK 46 99 80 59 4.1-5.4 2942/3102=23...(11) HG LEU 70 - HB3 GLU 69 poor 20 99 20 - 3.8-5.4 HD2 LYS 73 - HB3 GLU 69 poor 17 88 60 31 4.4-6.2 ~9581=5, ~10461=5...(11) HD3 LYS 73 - HB3 GLU 69 far 9 85 10 - 3.8-7.9 HD3 LYS 73 - HB2 GLU 69 far 9 85 10 - 4.0-8.8 HD2 LYS 73 - HB2 GLU 69 poor 8 88 30 31 4.5-7.3 ~10461=7, ~9581=5...(11) HD3 LYS 66 - HB3 GLU 69 far 5 99 5 - 4.2-6.8 HD2 LYS 68 - HB2 GLU 69 far 3 61 5 - 4.7-7.2 HB3 LEU 70 - HB2 GLU 69 far 0 85 0 - 5.4-7.1 HB3 LEU 70 - HB3 GLU 69 far 0 85 0 - 5.6-6.7 HG3 LYS 20 - HB3 GLU 23 far 0 55 0 - 5.6-8.2 HD3 LYS 68 - HB2 GLU 69 far 0 59 0 - 5.7-8.5 HD2 LYS 68 - HB3 GLU 69 far 0 61 0 - 6.0-7.2 HD2 LYS 20 - HB3 GLU 23 far 0 57 0 - 6.2-9.0 HD3 LYS 20 - HB3 GLU 23 far 0 55 0 - 6.3-8.7 HD3 LYS 24 - HB3 GLU 23 far 0 61 0 - 6.3-8.3 HD2 LYS 24 - HB3 GLU 23 far 0 61 0 - 6.5-9.2 HD2 LYS 39 - HB2 GLU 69 far 0 65 0 - 6.7-12.1 HD3 LYS 68 - HB3 GLU 69 far 0 59 0 - 6.7-8.8 HD2 LYS 39 - HB3 GLU 69 far 0 65 0 - 7.8-11.5 Violated in 12 structures by 0.11 A. Peak 10803 from cnoeabs.peaks (7.45, 4.00, 59.02 ppm; 5.60 A): 1 out of 3 assignments used, quality = 0.99: HE22 GLN 72 + HA GLU 69 OK 99 99 100 100 2.4-5.3 9571=98, 1.7/9570=87...(23) H ARG 91 - HA GLU 95 far 0 29 0 - 8.7-10.0 HE3 TRP 92 - HA GLU 95 far 0 30 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 10804 from cnoeabs.peaks (6.85, 4.00, 59.02 ppm; 6.07 A): 1 out of 2 assignments used, quality = 1.00: HE21 GLN 72 + HA GLU 69 OK 100 100 100 100 1.9-4.2 9570=99, 1.7/9571=98...(19) HD1 TRP 92 - HA GLU 95 poor 18 27 65 - 7.0-8.4 Violated in 0 structures by 0.00 A. Peak 10806 from cnoeabs.peaks (8.26, 4.00, 59.02 ppm; 4.87 A): 2 out of 3 assignments used, quality = 1.00: H ALA 71 + HA GLU 69 OK 100 100 100 100 4.5-5.1 7157/3.6=85...(21) H LYS 94 + HA GLU 95 OK 36 36 100 100 5.3-5.5 7528/3.0=90, 7522/3.6=84...(11) H LEU 103 - HA GLU 95 far 4 27 15 - 6.0-12.8 Violated in 0 structures by 0.00 A. Peak 10807 from cnoeabs.peaks (8.54, 2.34, 35.91 ppm; 5.84 A): 2 out of 7 assignments used, quality = 0.87: H GLN 50 + HG2 GLU 48 OK 83 88 95 100 3.6-8.5 11027/1.8=84...(13) H LYS 12 + HG2 GLU 16 OK 22 79 95 29 6.2-9.3 6160/717=13, 4.7/10186=6...(7) H ASN 51 - HG2 GLU 48 poor 19 93 20 - 5.7-9.8 H LEU 2 - HG2 GLU 48 far 11 73 15 - 5.8-10.7 H THR 31 - HG2 GLU 16 far 0 57 0 - 9.2-12.5 H THR 31 - HG3 GLU 44 far 0 46 0 - 9.4-13.3 H GLN 50 - HG3 GLU 44 far 0 82 0 - 9.9-14.1 Violated in 1 structures by 0.01 A. Peak 10808 from cnoeabs.peaks (7.87, 1.37, 41.70 ppm; 5.50 A): 3 out of 3 assignments used, quality = 0.98: H GLU 69 + HB2 LEU 70 OK 77 77 100 100 4.6-5.3 4.6/3133=78...(19) H LYS 73 + HB2 LEU 70 OK 71 71 100 100 5.1-5.4 10810/3.0=77, 9576=62...(13) H GLN 72 + HB2 LEU 70 OK 64 65 100 98 4.6-4.9 4.6/3140=74, 4.6/9576=55...(10) Violated in 0 structures by 0.00 A. Peak 10809 from cnoeabs.peaks (7.87, 1.72, 41.70 ppm; 5.72 A): 2 out of 2 assignments used, quality = 0.95: H LYS 73 + HB3 LEU 70 OK 87 87 100 100 4.8-5.1 10810/3.0=90...(10) H GLU 69 + HB3 LEU 70 OK 59 59 100 99 5.9-6.4 4.6/3142=84...(14) Violated in 0 structures by 0.00 A. Peak 10810 from cnoeabs.peaks (7.86, 4.02, 57.49 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.96: H LYS 73 + HA LEU 70 OK 96 96 100 100 3.2-3.4 9578=55, 7207/10813=45...(21) H TYR 41 - HA LEU 70 far 0 71 0 - 9.3-10.7 Violated in 0 structures by 0.00 A. Peak 10812 from cnoeabs.peaks (8.07, 0.81, 25.21 ppm; 5.07 A): 3 out of 8 assignments used, quality = 0.99: H LYS 39 + QD1 LEU 70 OK 95 96 100 100 2.0-4.4 ~10822=57, 3.0/8952=43...(32) H LYS 39 + QD2 LEU 38 OK 60 60 100 100 3.7-4.6 6599/3.1=84, 1633/3.1=71...(21) H LYS 90 + QD2 LEU 57 OK 29 50 90 65 5.8-6.6 3.6/9929=31...(11) H GLU 75 - QD1 LEU 70 far 0 99 0 - 7.5-8.7 H SER 102 - QD2 LEU 57 far 0 59 0 - 7.8-13.4 H ILE 15 - QD2 LEU 57 far 0 60 0 - 7.9-9.3 H GLU 17 - QD2 LEU 57 far 0 61 0 - 9.0-10.6 H GLU 75 - QD2 LEU 38 far 0 65 0 - 9.1-12.1 Violated in 0 structures by 0.00 A. Peak 10813 from cnoeabs.peaks (1.49, 4.02, 57.49 ppm; 4.62 A): 1 out of 6 assignments used, quality = 0.99: HG2 LYS 73 + HA LEU 70 OK 99 100 100 99 2.2-4.3 7207/10810=56...(24) HG3 LYS 66 - HA LEU 70 far 0 100 0 - 6.2-10.4 HG LEU 38 - HA LEU 70 far 0 71 0 - 6.4-8.9 HB2 LEU 38 - HA LEU 70 far 0 63 0 - 6.4-7.8 HG2 LYS 66 - HA LEU 70 far 0 100 0 - 8.0-10.2 HG12 ILE 56 - HA LEU 70 far 0 59 0 - 9.4-11.5 Violated in 0 structures by 0.00 A. Peak 10814 from cnoeabs.peaks (0.69, 4.02, 57.49 ppm; 5.07 A): 1 out of 8 assignments used, quality = 1.00: QD1 LEU 42 + HA LEU 70 OK 100 100 100 100 3.8-5.4 9543/3.0=89, 9544/3.0=87...(13) QG2 VAL 78 - HA LEU 70 far 0 82 0 - 6.7-7.1 QD1 ILE 56 - HA LEU 70 far 0 98 0 - 7.6-9.5 QD1 ILE 8 - HA LEU 70 far 0 96 0 - 8.5-10.2 HG13 ILE 56 - HA LEU 70 far 0 92 0 - 8.8-11.5 QD2 LEU 6 - HA LEU 70 far 0 99 0 - 9.3-11.8 QG2 VAL 54 - HA LEU 70 far 0 57 0 - 9.7-10.8 QG1 VAL 58 - HA LEU 70 far 0 84 0 - 9.7-10.6 Violated in 5 structures by 0.02 A. Peak 10815 from cnoeabs.peaks (1.96, 4.02, 57.49 ppm; 3.76 A): 2 out of 5 assignments used, quality = 1.00: HB2 LYS 73 + HA LEU 70 OK 96 100 100 96 2.5-3.4 2.9/10813=43...(20) HB3 LYS 73 + HA LEU 70 OK 94 100 100 94 4.1-4.8 2.9/10813=43...(22) HB3 MET 74 - HA LEU 70 far 0 100 0 - 6.2-7.5 HB3 ARG 46 - HA LEU 70 far 0 100 0 - 9.4-12.4 HB2 ARG 46 - HA LEU 70 far 0 94 0 - 9.6-12.6 Violated in 0 structures by 0.00 A. Peak 10816 from cnoeabs.peaks (2.13, 4.02, 57.49 ppm; 4.45 A): 2 out of 6 assignments used, quality = 1.00: HB2 GLU 69 + HA LEU 70 OK 99 99 100 99 4.0-5.5 3109/3.0=41...(26) HB3 GLU 69 + HA LEU 70 OK 99 99 100 99 4.0-4.8 3101/3.0=41, ~3116=30...(29) HG2 GLU 69 - HA LEU 70 far 5 99 5 - 3.3-6.5 HB2 GLN 72 - HA LEU 70 far 0 79 0 - 6.3-6.7 HG2 GLU 75 - HA LEU 70 far 0 61 0 - 8.5-10.2 HB2 GLU 75 - HA LEU 70 far 0 100 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 10817 from cnoeabs.peaks (3.87, 4.02, 57.49 ppm; 4.66 A): 2 out of 6 assignments used, quality = 0.99: HA ALA 67 + HA LEU 70 OK 91 96 100 95 5.1-6.0 2978/3.0=38, 3141/3.0=34...(13) HA ALA 71 + HA LEU 70 OK 87 87 100 100 4.9-4.9 4.9=87, 9579/10810=44...(21) HA GLU 35 - HA LEU 70 far 0 95 0 - 6.7-8.0 HA LEU 38 - HA LEU 70 far 0 100 0 - 8.3-9.7 HA LYS 40 - HA LEU 70 far 0 100 0 - 8.9-10.3 HA GLU 43 - HA LEU 70 far 0 98 0 - 9.0-10.3 Violated in 1 structures by 0.00 A. Peak 10818 from cnoeabs.peaks (2.94, 4.02, 57.49 ppm; 5.60 A): 2 out of 5 assignments used, quality = 1.00: HE3 LYS 73 + HA LEU 70 OK 97 99 100 97 3.4-5.4 4.0/10813=74...(9) HE2 LYS 73 + HA LEU 70 OK 94 97 100 97 2.0-6.1 4.0/10813=74...(9) HE3 LYS 66 - HA LEU 70 poor 13 65 20 - 5.1-8.7 HE3 LYS 68 - HA LEU 70 far 0 79 0 - 9.2-11.5 HE2 LYS 68 - HA LEU 70 far 0 82 0 - 9.4-11.6 Violated in 0 structures by 0.00 A. Peak 10821 from cnoeabs.peaks (2.88, 0.81, 24.20 ppm; 4.00 A): 4 out of 11 assignments used, quality = 0.97: HE3 LYS 66 + QD2 LEU 70 OK 76 88 100 86 1.9-5.1 2.9/10782=18, 8958=17...(25) HE2 LYS 66 + QD2 LEU 70 OK 69 95 85 86 2.2-6.2 2.9/10782=18, 8958=17...(23) HE2 LYS 39 + QD2 LEU 70 OK 42 100 50 83 2.6-7.4 6.3/10822=23...(16) HE3 LYS 39 + QD2 LEU 70 OK 38 100 45 83 3.6-6.9 6.3/10822=23...(16) HE3 LYS 82 - QD1 LEU 57 far 0 46 0 - 6.8-9.0 HE3 LYS 68 - QD2 LEU 70 far 0 77 0 - 7.5-10.1 HE2 LYS 68 - QD2 LEU 70 far 0 73 0 - 7.9-10.7 HE3 LYS 94 - QD1 LEU 57 far 0 35 0 - 8.4-11.7 HE2 LYS 68 - QD1 LEU 57 far 0 36 0 - 9.0-12.6 HE3 LYS 68 - QD1 LEU 57 far 0 38 0 - 9.4-12.3 HB2 ASN 60 - QD1 LEU 57 far 0 53 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 10822 from cnoeabs.peaks (3.60, 0.81, 24.20 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.67: HA LYS 39 + QD2 LEU 70 OK 67 99 70 97 2.7-5.9 8952/2.1=39, 1670/3.1=28...(35) Violated in 19 structures by 1.07 A. Peak 10824 from cnoeabs.peaks (8.28, 2.23, 28.06 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.94: H ALA 71 + HB3 GLN 72 OK 94 94 100 100 5.2-5.7 7168/7173=93...(16) Violated in 1 structures by 0.01 A. Peak 10825 from cnoeabs.peaks (8.26, 2.16, 28.06 ppm; 6.38 A): 1 out of 1 assignment used, quality = 1.00: H ALA 71 + HB2 GLN 72 OK 100 100 100 100 6.4-6.5 7168/7172=100...(15) Violated in 20 structures by 0.04 A. Peak 10828 from cnoeabs.peaks (7.74, 3.85, 55.14 ppm; 4.10 A): 2 out of 7 assignments used, quality = 1.00: H MET 74 + HA ALA 71 OK 100 100 100 100 3.3-3.7 10858=77, 7213/9579=48...(24) H ALA 25 + HA ALA 22 OK 38 39 100 98 3.1-3.6 6394=61, 10489/8638=37...(17) H VAL 78 - HA ALA 71 far 10 98 10 - 5.5-6.3 H LEU 64 - HA ALA 67 far 0 63 0 - 7.5-8.2 H GLU 37 - HA ALA 67 far 0 80 0 - 7.7-8.8 H MET 74 - HA ALA 67 far 0 79 0 - 7.9-9.0 H VAL 78 - HA ALA 67 far 0 75 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 10829 from cnoeabs.peaks (7.56, 3.85, 55.14 ppm; 4.64 A): 3 out of 5 assignments used, quality = 1.00: H ILE 76 + HA ALA 71 OK 100 100 100 100 3.4-4.5 9649=98, 7254/9648=53...(20) H LYS 24 + HA ALA 22 OK 55 55 100 100 4.0-4.4 6369/3.6=72...(19) H LEU 38 + HA ALA 67 OK 28 59 75 63 5.5-6.4 3.8/1627=14, 3.8/1635=14...(13) H LEU 38 - HA ALA 71 far 0 82 0 - 8.7-10.0 H ILE 76 - HA ALA 67 far 0 80 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 10830 from cnoeabs.peaks (7.76, 1.41, 18.49 ppm; 4.54 A): 2 out of 5 assignments used, quality = 1.00: H VAL 78 + QB ALA 71 OK 99 100 100 100 3.1-4.0 9683=81, 7278/9685=71...(12) H MET 74 + QB ALA 71 OK 97 97 100 100 4.4-4.7 10858/2.1=75...(19) H SER 49 - QB ALA 71 far 0 68 0 - 9.1-11.6 H GLU 37 - QB ALA 71 far 0 93 0 - 9.7-10.8 HE ARG 30 - QB ALA 71 far 0 79 0 - 9.8-14.0 Violated in 0 structures by 0.00 A. Peak 10831 from cnoeabs.peaks (4.01, 3.85, 55.14 ppm; 4.26 A): 2 out of 7 assignments used, quality = 0.99: HA LEU 70 + HA ALA 71 OK 97 98 100 100 4.9-4.9 4.9=67, 10810/9579=38...(21) HA LEU 70 + HA ALA 67 OK 56 75 80 93 5.1-6.0 3.0/3141=33, 3.0/7140=32...(12) HA GLU 75 - HA ALA 71 poor 20 100 25 78 5.3-6.8 7248/9649=53...(7) HB3 SER 97 - HA ALA 22 poor 14 48 30 - 4.8-7.0 HA GLU 69 - HA ALA 67 far 0 75 0 - 6.3-6.8 HA GLU 69 - HA ALA 71 far 0 98 0 - 6.6-7.1 HA GLU 95 - HA ALA 22 far 0 54 0 - 9.5-10.8 Violated in 20 structures by 0.32 A. Peak 10832 from cnoeabs.peaks (4.00, 1.41, 18.49 ppm; 4.82 A): 3 out of 3 assignments used, quality = 1.00: HA GLU 69 + QB ALA 71 OK 98 100 100 98 4.7-5.3 10806/7165=49...(13) HA LEU 70 + QB ALA 71 OK 92 92 100 100 5.0-5.0 3.6/7165=89...(24) HA GLU 75 + QB ALA 71 OK 81 100 95 86 5.0-6.4 9616=32, 10833/5.0=31...(11) Violated in 0 structures by 0.00 A. Peak 10833 from cnoeabs.peaks (3.99, 4.15, 58.53 ppm; 4.07 A): 2 out of 5 assignments used, quality = 0.76: HA GLU 75 + HA GLN 72 OK 60 65 100 93 3.1-4.4 7248/9650=46, 9619=43...(13) HA GLU 69 + HA GLN 72 OK 39 68 60 94 5.4-6.1 9560/3.0=39, 3087/3.0=36...(10) HA LEU 70 - HA GLN 72 far 0 44 0 - 6.2-6.4 HD3 PRO 86 - HA LYS 13 far 0 98 0 - 6.7-7.7 HD2 PRO 86 - HA LYS 13 far 0 99 0 - 8.2-9.3 Violated in 2 structures by 0.01 A. Peak 10834 from cnoeabs.peaks (1.64, 1.41, 18.49 ppm; 3.95 A): 2 out of 13 assignments used, quality = 0.99: HB ILE 76 + QB ALA 71 OK 99 100 100 99 2.7-3.8 9648/2.1=52...(29) HG2 LYS 68 + QB ALA 71 OK 28 100 65 44 4.7-6.3 9556/7170=14, 4.0/787=10...(9) HD2 LYS 68 - QB ALA 71 poor 20 99 20 - 3.7-7.1 HD3 LYS 68 - QB ALA 71 far 15 100 15 - 4.2-6.8 HB3 LEU 6 - QB ALA 71 far 0 100 0 - 6.4-8.0 HB3 ARG 79 - QB ALA 71 far 0 99 0 - 6.5-7.2 HD2 LYS 73 - QB ALA 71 far 0 88 0 - 6.9-8.1 HD3 LYS 73 - QB ALA 71 far 0 91 0 - 7.4-8.2 HD2 LYS 39 - QB ALA 71 far 0 99 0 - 7.4-9.7 HD3 LYS 39 - QB ALA 71 far 0 100 0 - 7.6-8.9 HB3 LYS 40 - QB ALA 71 far 0 59 0 - 9.2-10.3 HB ILE 52 - QB ALA 71 far 0 84 0 - 9.3-10.8 HB2 LYS 40 - QB ALA 71 far 0 100 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 10835 from cnoeabs.peaks (1.78, 1.41, 18.49 ppm; 3.70 A): 2 out of 8 assignments used, quality = 1.00: HB VAL 78 + QB ALA 71 OK 100 100 100 100 3.3-3.7 9685=100, 2.1/10290=51...(23) HB2 LEU 42 + QB ALA 71 OK 63 77 100 81 4.3-5.1 3.1/12176=20, ~10414=19...(23) HB ILE 56 - QB ALA 71 far 0 97 0 - 5.5-6.6 HB2 LYS 39 - QB ALA 71 far 0 91 0 - 6.0-8.1 HG3 ARG 46 - QB ALA 71 far 0 99 0 - 6.7-9.3 HB2 LYS 66 - QB ALA 71 far 0 99 0 - 7.4-8.4 HB2 GLU 104 - QB ALA 71 far 0 73 0 - 9.4-16.1 HB3 GLU 63 - QB ALA 71 far 0 100 0 - 9.4-10.7 Violated in 0 structures by 0.00 A. Peak 10836 from cnoeabs.peaks (1.63, 3.85, 55.14 ppm; 4.15 A): 3 out of 29 assignments used, quality = 0.98: HB ILE 76 + HA ALA 71 OK 96 97 100 99 3.1-4.3 9648=60, 10834/2.1=55...(23) HG LEU 27 + HA ALA 22 OK 37 37 100 99 2.6-3.8 3.0/8636=55...(19) HB3 LEU 29 + HA ALA 22 OK 31 35 90 98 4.3-5.9 ~8577=54, ~10453=30...(23) HG3 LYS 73 - HA ALA 71 far 11 73 15 - 5.5-7.8 HD3 LYS 94 - HA ALA 22 far 2 37 5 - 5.5-9.2 HD2 LYS 39 - HA ALA 67 far 0 63 0 - 6.1-8.8 HD2 LYS 94 - HA ALA 22 far 0 60 0 - 6.2-7.9 HG2 LYS 68 - HA ALA 67 far 0 75 0 - 6.4-7.7 HD3 LYS 39 - HA ALA 67 far 0 76 0 - 6.6-8.9 HD2 LYS 68 - HA ALA 71 far 0 90 0 - 6.7-10.4 HD2 LYS 68 - HA ALA 67 far 0 66 0 - 6.8-8.9 HD2 LYS 66 - HA ALA 67 far 0 56 0 - 6.9-7.8 HD2 LYS 73 - HA ALA 71 far 0 63 0 - 6.9-8.3 HG3 LYS 73 - HA ALA 67 far 0 51 0 - 7.2-10.1 HD3 LYS 68 - HA ALA 67 far 0 67 0 - 7.3-8.6 HD2 LYS 73 - HA ALA 67 far 0 44 0 - 7.3-10.1 HB3 LEU 6 - HA ALA 67 far 0 70 0 - 7.3-8.8 HD3 LYS 39 - HA ALA 71 far 0 99 0 - 7.4-8.9 HD2 LYS 39 - HA ALA 71 far 0 87 0 - 7.4-9.9 HD3 LYS 68 - HA ALA 71 far 0 91 0 - 7.5-10.2 HD3 LYS 73 - HA ALA 71 far 0 68 0 - 7.7-8.4 HG2 LYS 68 - HA ALA 71 far 0 98 0 - 7.9-9.6 HD3 LYS 73 - HA ALA 67 far 0 47 0 - 7.9-10.3 HB ILE 76 - HA ALA 67 far 0 74 0 - 8.6-9.9 HB3 LEU 6 - HA ALA 71 far 0 94 0 - 8.8-10.5 HB2 LYS 40 - HA ALA 67 far 0 72 0 - 9.4-10.9 HB3 ARG 79 - HA ALA 71 far 0 87 0 - 9.6-11.0 HB2 LYS 40 - HA ALA 71 far 0 96 0 - 9.8-10.8 HB2 ARG 79 - HA ALA 71 far 0 77 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 10837 from cnoeabs.peaks (1.10, 3.85, 55.14 ppm; 5.00 A): 1 out of 2 assignments used, quality = 0.99: HG12 ILE 76 + HA ALA 71 OK 99 99 100 100 3.3-4.9 3.0/9648=67...(24) HG12 ILE 76 - HA ALA 67 far 0 77 0 - 9.3-11.0 Violated in 0 structures by 0.00 A. Peak 10838 from cnoeabs.peaks (0.74, 3.85, 55.14 ppm; 3.21 A): 8 out of 30 assignments used, quality = 1.00: QG1 VAL 78 + HA ALA 71 OK 96 100 100 96 3.0-3.5 10658=46, 10290/2.1=43...(23) QG2 VAL 78 + HA ALA 71 OK 82 87 100 95 3.5-4.1 2.1/10658=44, ~9685=29...(19) QD2 LEU 42 + HA ALA 71 OK 65 91 100 72 3.0-4.4 ~10414=18, 8924=16...(17) QG2 ILE 93 + HA ALA 22 OK 55 60 100 92 1.9-2.8 10028=31, 11002/3.0=29...(28) QD2 LEU 27 + HA ALA 22 OK 45 54 90 93 4.1-5.1 3.1/8636=31, 2.1/8641=25...(20) QD1 LEU 27 + HA ALA 22 OK 45 48 100 94 1.9-3.4 3.1/8636=31, 8641=28...(24) QD1 ILE 93 + HA ALA 22 OK 37 46 95 83 3.7-5.0 10327/2.1=25...(20) QD1 ILE 8 + HA ALA 67 OK 21 45 80 57 3.7-5.8 10681/2.1=11...(15) QD2 LEU 42 - HA ALA 67 poor 17 67 25 - 4.0-5.8 HG13 ILE 93 - HA ALA 22 far 9 61 15 - 4.2-6.7 QG1 VAL 5 - HA ALA 22 far 5 51 10 - 4.6-5.5 HG13 ILE 56 - HA ALA 67 far 3 53 5 - 4.4-7.4 QD1 ILE 56 - HA ALA 67 far 2 42 5 - 4.6-6.1 QG2 VAL 78 - HA ALA 67 far 0 63 0 - 5.0-6.3 QD1 LEU 6 - HA ALA 67 far 0 62 0 - 5.2-8.2 QD1 ILE 56 - HA ALA 71 far 0 61 0 - 5.2-7.2 QG1 VAL 58 - HA ALA 67 far 0 62 0 - 5.3-6.2 QG1 VAL 78 - HA ALA 67 far 0 80 0 - 6.0-7.4 QG1 VAL 54 - HA ALA 71 far 0 96 0 - 6.0-7.7 QD1 LEU 6 - HA ALA 71 far 0 85 0 - 6.2-9.3 HG13 ILE 56 - HA ALA 71 far 0 75 0 - 6.3-8.6 QG1 VAL 54 - HA ALA 67 far 0 72 0 - 6.7-8.5 QD1 LEU 64 - HA ALA 67 far 0 79 0 - 6.8-7.8 QG2 ILE 52 - HA ALA 71 far 0 71 0 - 7.4-11.0 QD1 ILE 8 - HA ALA 71 far 0 65 0 - 8.1-9.5 QD1 LEU 6 - HA ALA 22 far 0 45 0 - 8.2-11.0 QG1 VAL 54 - HA ALA 22 far 0 54 0 - 8.6-9.6 QD1 LEU 64 - HA ALA 71 far 0 100 0 - 9.2-10.6 QG1 VAL 58 - HA ALA 71 far 0 85 0 - 9.3-10.2 QD1 ILE 56 - HA ALA 22 far 0 30 0 - 9.4-12.1 Violated in 0 structures by 0.00 A. Peak 10839 from cnoeabs.peaks (1.98, 2.23, 28.06 ppm; 4.46 A): 2 out of 4 assignments used, quality = 0.90: HB2 LYS 73 + HB3 GLN 72 OK 70 84 85 98 4.9-6.4 4.1/7199=61, ~10845=38...(16) HB3 LYS 73 + HB3 GLN 72 OK 68 82 85 97 5.4-7.5 4.1/7199=61, ~10845=38...(15) QE MET 74 - HB3 GLN 72 far 5 94 5 - 5.6-8.4 HB3 MET 74 - HB3 GLN 72 far 0 91 0 - 6.6-8.9 Violated in 20 structures by 0.46 A. Peak 10841 from cnoeabs.peaks (1.63, 2.23, 28.06 ppm; 4.92 A): 2 out of 8 assignments used, quality = 0.85: HG3 LYS 73 + HB3 GLN 72 OK 74 82 90 99 3.5-6.6 10845/1.8=70...(16) HG2 LYS 68 + HB3 GLN 72 OK 43 95 50 91 5.4-9.3 ~9563=34, 9556/7173=22...(17) HD3 LYS 68 - HB3 GLN 72 far 4 84 5 - 5.5-8.7 HD2 LYS 68 - HB3 GLN 72 far 4 82 5 - 4.2-7.7 HB ILE 76 - HB3 GLN 72 far 0 93 0 - 7.5-8.8 HD2 LYS 39 - HB3 GLN 72 far 0 79 0 - 9.1-13.9 HD3 LYS 39 - HB3 GLN 72 far 0 96 0 - 9.7-12.4 HB2 ARG 79 - HB3 GLN 72 far 0 85 0 - 9.8-14.1 Violated in 3 structures by 0.08 A. Peak 10842 from cnoeabs.peaks (1.41, 2.23, 28.06 ppm; 4.75 A): 1 out of 4 assignments used, quality = 1.00: QB ALA 71 + HB3 GLN 72 OK 100 100 100 100 4.0-5.0 7170/7173=91...(13) HB2 LEU 70 - HB3 GLN 72 far 0 63 0 - 6.6-7.6 HG3 LYS 39 - HB3 GLN 72 far 0 65 0 - 8.6-13.3 HG13 ILE 76 - HB3 GLN 72 far 0 75 0 - 8.9-10.5 Violated in 16 structures by 0.13 A. Peak 10845 from cnoeabs.peaks (1.61, 2.16, 28.06 ppm; 5.19 A): 1 out of 6 assignments used, quality = 0.97: HG3 LYS 73 + HB2 GLN 72 OK 97 97 100 100 5.0-5.4 7208/7198=85...(17) HG2 LYS 68 - HB2 GLN 72 poor 19 77 25 - 6.1-9.6 HD2 LYS 68 - HB2 GLN 72 far 9 57 15 - 5.9-8.1 HD3 LYS 68 - HB2 GLN 72 far 0 59 0 - 7.3-9.2 HB ILE 76 - HB2 GLN 72 far 0 73 0 - 8.0-9.0 HG LEU 103 - HB2 GLN 72 far 0 77 0 - 8.7-23.1 Violated in 12 structures by 0.05 A. Peak 10846 from cnoeabs.peaks (1.41, 2.16, 28.06 ppm; 4.88 A): 1 out of 2 assignments used, quality = 1.00: QB ALA 71 + HB2 GLN 72 OK 100 100 100 100 5.1-5.3 7170/7172=92...(13) HG13 ILE 76 - HB2 GLN 72 far 0 84 0 - 8.9-10.6 Violated in 20 structures by 0.31 A. Peak 10848 from cnoeabs.peaks (7.75, 4.15, 58.19 ppm; 3.97 A): 2 out of 5 assignments used, quality = 0.99: H MET 74 + HA GLN 72 OK 97 99 100 98 3.8-4.5 7213/3.6=63...(14) H MET 74 + HA LYS 73 OK 56 56 100 100 3.4-3.5 3.6=100 H VAL 78 - HA GLN 72 far 5 100 5 - 5.3-6.8 H LYS 20 - HA LYS 13 far 0 37 0 - 8.7-9.2 H VAL 78 - HA LYS 73 far 0 58 0 - 9.7-10.8 Violated in 0 structures by 0.00 A. Peak 10850 from cnoeabs.peaks (0.73, 4.17, 57.87 ppm; 5.14 A): 2 out of 14 assignments used, quality = 0.71: QG2 VAL 78 + HA GLN 72 OK 51 57 100 89 4.9-5.5 ~10847=35, 9558/3.0=33...(11) QG1 VAL 78 + HA GLN 72 OK 41 49 100 84 4.6-5.9 10290/5.0=39...(9) QD1 ILE 52 - HA LYS 47 poor 18 35 50 - 5.4-7.1 QD1 LEU 42 - HA GLN 72 poor 11 29 70 54 5.8-6.9 9558/3.0=23...(6) QD1 LEU 42 - HA LYS 73 far 6 61 10 - 6.6-7.9 QG1 VAL 78 - HA LYS 73 far 0 93 0 - 7.7-8.5 QD1 ILE 56 - HA GLN 72 far 0 49 0 - 7.8-10.5 QG2 VAL 78 - HA LYS 73 far 0 100 0 - 8.4-8.7 QG1 VAL 54 - HA GLN 72 far 0 32 0 - 8.7-11.1 QD1 ILE 52 - HA GLN 72 far 0 35 0 - 8.8-12.0 QG1 VAL 78 - HA LYS 47 far 0 49 0 - 9.4-11.1 HG13 ILE 56 - HA GLN 72 far 0 54 0 - 9.4-12.3 QD1 LEU 64 - HA GLN 72 far 0 52 0 - 9.6-11.1 QD1 LEU 42 - HA LYS 47 far 0 28 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 10851 from cnoeabs.peaks (0.78, 1.96, 32.28 ppm; 4.42 A): 4 out of 32 assignments used, quality = 0.95: QD2 LEU 70 + HB2 LYS 73 OK 69 77 100 89 3.9-5.7 4.0/10815=30...(12) QD2 LEU 70 + HB3 LYS 73 OK 61 77 90 88 4.8-6.9 4.0/10815=30...(17) QD1 LEU 70 + HB2 LYS 73 OK 47 61 95 81 4.1-6.0 ~12297=33, 4.0/10815=30...(11) QG2 ILE 93 + HB3 LYS 24 OK 30 69 90 49 5.0-6.5 8613/4.4=17, 8621/8623=8...(10) QD2 LEU 2 - HB2 MET 1 poor 19 37 50 - 3.4-7.2 QD1 LEU 27 - HB3 LYS 24 far 4 88 5 - 5.8-7.1 QD1 ILE 93 - HB3 LYS 20 far 4 75 5 - 5.8-7.6 QD1 LEU 70 - HB3 LYS 73 far 3 61 5 - 5.3-7.3 QG2 ILE 52 - HB2 MET 1 far 0 59 0 - 6.0-8.0 QD1 ILE 76 - HB2 LYS 73 far 0 88 0 - 6.0-6.6 QG2 ILE 52 - HB2 LYS 47 far 0 91 0 - 6.1-7.8 QD1 ILE 76 - HB2 LYS 47 far 0 75 0 - 6.1-8.8 QD1 ILE 93 - HB3 LYS 24 far 0 88 0 - 6.4-7.3 QG2 ILE 93 - HB2 LYS 24 far 0 69 0 - 6.4-7.8 QG2 ILE 93 - HB3 LYS 20 far 0 57 0 - 6.7-8.3 QD1 ILE 76 - HB3 LYS 73 far 0 88 0 - 6.8-7.5 QD2 LEU 2 - HB2 LYS 47 far 0 63 0 - 6.9-10.3 QD1 LEU 27 - HB2 LYS 24 far 0 88 0 - 7.0-8.4 QD2 LEU 42 - HB2 LYS 73 far 0 98 0 - 7.0-8.5 QD1 ILE 93 - HB2 LYS 24 far 0 88 0 - 7.4-8.6 QG1 VAL 78 - HB2 LYS 73 far 0 73 0 - 7.5-7.9 QD1 LEU 27 - HB2 MET 1 far 0 57 0 - 7.9-10.9 QD1 LEU 27 - HB3 LYS 20 far 0 75 0 - 8.2-9.9 HG13 ILE 93 - HB3 LYS 24 far 0 57 0 - 8.3-10.4 QD2 LEU 42 - HB3 LYS 73 far 0 99 0 - 8.3-9.7 QG2 ILE 15 - HB3 LYS 20 far 0 49 0 - 8.4-9.1 QG1 VAL 78 - HB3 LYS 73 far 0 73 0 - 8.6-9.1 QD2 LEU 42 - HB2 LYS 47 far 0 88 0 - 9.1-11.5 QG1 VAL 78 - HB2 LYS 47 far 0 61 0 - 9.2-11.8 QG1 VAL 54 - HB2 LYS 47 far 0 84 0 - 9.3-12.1 HG13 ILE 93 - HB3 LYS 20 far 0 46 0 - 9.4-11.2 HG13 ILE 93 - HB2 LYS 24 far 0 57 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 10852 from cnoeabs.peaks (0.76, 1.49, 25.00 ppm; 3.96 A): 1 out of 42 assignments used, quality = 0.34: QG2 ILE 52 + HG2 LYS 53 OK 34 50 90 76 4.6-6.3 10637/3.9=27...(16) QG2 ILE 8 - HG3 LYS 33 far 10 66 15 - 5.0-6.4 QD1 ILE 15 - HG3 LYS 13 far 5 100 5 - 5.4-6.2 QG2 ILE 52 - HG3 LYS 53 far 0 62 0 - 5.6-6.8 QD1 LEU 27 - HG3 LYS 24 far 0 87 0 - 5.6-8.5 QG2 ILE 93 - HG3 LYS 24 far 0 89 0 - 5.8-7.6 QD2 LEU 27 - HG3 LYS 53 far 0 51 0 - 5.8-7.0 QG1 VAL 78 - HG3 LYS 53 far 0 68 0 - 6.2-8.4 QD2 LEU 27 - HG2 LYS 53 far 0 40 0 - 6.2-7.4 QG1 VAL 54 - HG3 LYS 53 far 0 73 0 - 6.3-7.8 QG1 VAL 78 - HG2 LYS 53 far 0 56 0 - 6.5-7.9 QD2 LEU 27 - HG3 LYS 24 far 0 65 0 - 6.5-9.7 QD1 LEU 27 - HG3 LYS 53 far 0 70 0 - 6.6-8.2 QD1 LEU 6 - HG3 LYS 33 far 0 85 0 - 6.6-8.6 QG2 VAL 78 - HG3 LYS 53 far 0 39 0 - 6.9-9.3 QG1 VAL 54 - HG2 LYS 53 far 0 60 0 - 7.0-7.5 QG2 ILE 52 - HG2 LYS 47 far 0 92 0 - 7.0-9.1 QD1 ILE 93 - HG3 LYS 24 far 0 87 0 - 7.3-9.1 QD1 LEU 27 - HG2 LYS 53 far 0 57 0 - 7.4-9.0 QG2 VAL 78 - HG2 LYS 73 far 0 63 0 - 7.6-9.1 QD1 ILE 15 - HG3 LYS 33 far 0 89 0 - 7.6-8.8 QD2 LEU 42 - HG2 LYS 53 far 0 58 0 - 7.8-10.9 QG2 VAL 78 - HG2 LYS 53 far 0 31 0 - 7.9-9.2 QG1 VAL 78 - HG2 LYS 73 far 0 98 0 - 7.9-9.3 HG13 ILE 15 - HG3 LYS 33 far 0 89 0 - 8.1-9.6 QD2 LEU 42 - HG2 LYS 73 far 0 99 0 - 8.1-10.0 QG2 ILE 93 - HG3 LYS 53 far 0 71 0 - 8.1-10.5 QG1 VAL 58 - HG3 LYS 33 far 0 49 0 - 8.3-9.5 QD2 LEU 42 - HG2 LYS 47 far 0 99 0 - 8.6-11.9 HG13 ILE 15 - HG3 LYS 13 far 0 99 0 - 8.7-9.5 QD2 LEU 57 - HG3 LYS 53 far 0 39 0 - 8.7-10.9 QD2 LEU 42 - HG3 LYS 53 far 0 71 0 - 8.7-11.4 QG1 VAL 5 - HG3 LYS 53 far 0 46 0 - 8.7-10.0 QG1 VAL 78 - HG2 LYS 47 far 0 98 0 - 8.8-12.6 QG2 ILE 93 - HG2 LYS 53 far 0 58 0 - 8.9-11.4 QG1 VAL 54 - HG2 LYS 47 far 0 100 0 - 9.0-12.8 QD2 LEU 42 - HG3 LYS 33 far 0 88 0 - 9.1-11.0 QG1 VAL 5 - HG3 LYS 24 far 0 60 0 - 9.3-11.6 QG1 VAL 5 - HG2 LYS 53 far 0 37 0 - 9.3-10.5 QD2 LEU 57 - HG2 LYS 53 far 0 31 0 - 9.4-11.3 HG13 ILE 93 - HG3 LYS 24 far 0 84 0 - 9.6-12.2 QD1 LEU 6 - HG2 LYS 53 far 0 56 0 - 9.7-13.2 Violated in 20 structures by 1.24 A. Peak 10853 from cnoeabs.peaks (0.75, 1.60, 25.00 ppm; 4.56 A): 2 out of 21 assignments used, quality = 1.00: QD1 ILE 15 + HG3 LYS 12 OK 99 100 100 100 4.7-5.5 8446/3.7=71...(21) QD1 ILE 93 + HG3 LYS 90 OK 57 62 100 91 4.0-5.4 10025/4.0=56...(18) QG2 ILE 93 - HG2 LYS 24 poor 18 95 35 55 5.6-7.7 10319/10443=14...(9) QG2 ILE 93 - HG3 LYS 90 poor 14 68 20 - 5.5-7.2 QD1 LEU 27 - HG2 LYS 24 far 0 90 0 - 6.5-7.8 HG13 ILE 93 - HG3 LYS 90 far 0 65 0 - 6.7-8.6 QG2 ILE 52 - HG3 LYS 47 far 0 57 0 - 6.9-8.9 QD2 LEU 27 - HG2 LYS 24 far 0 78 0 - 7.0-9.2 QG1 VAL 5 - HG3 LYS 90 far 0 48 0 - 7.2-8.5 QD1 ILE 93 - HG2 LYS 24 far 0 90 0 - 7.2-9.4 QG1 VAL 78 - HG3 LYS 73 far 0 99 0 - 7.4-9.6 HG13 ILE 15 - HG3 LYS 12 far 0 100 0 - 7.4-8.0 QG2 VAL 78 - HG3 LYS 73 far 0 71 0 - 7.5-9.5 QD2 LEU 42 - HG3 LYS 73 far 0 98 0 - 7.6-10.7 QD1 LEU 27 - HG3 LYS 90 far 0 63 0 - 8.1-10.8 QD1 ILE 15 - HG3 LYS 90 far 0 68 0 - 8.6-11.1 QD2 LEU 42 - HG3 LYS 47 far 0 69 0 - 9.1-11.0 QG1 VAL 78 - HG3 LYS 47 far 0 71 0 - 9.1-11.9 HG13 ILE 93 - HG2 LYS 24 far 0 93 0 - 9.4-12.6 QG1 VAL 5 - HG2 LYS 24 far 0 73 0 - 9.4-11.6 QG1 VAL 54 - HG3 LYS 47 far 0 72 0 - 9.7-12.3 Violated in 2 structures by 0.01 A. Peak 10854 from cnoeabs.peaks (0.80, 1.67, 28.90 ppm; 3.88 A): 3 out of 34 assignments used, quality = 0.96: QD2 LEU 70 + HD3 LYS 73 OK 73 98 95 79 3.0-6.9 10395/3.0=26...(14) QD2 LEU 70 + HD2 LYS 73 OK 73 98 95 78 2.2-6.0 10395/3.0=26...(12) QD1 LEU 70 + HD2 LYS 73 OK 44 92 80 59 3.7-6.5 ~10395=15, 10352/3.6=11...(11) QD1 LEU 70 - HD3 LYS 73 poor 14 92 25 59 4.9-6.9 ~10395=15, 10352/3.6=11...(11) QD1 LEU 57 - HB3 ARG 91 far 0 30 0 - 5.7-8.1 QG2 ILE 15 - HD2 LYS 20 far 0 65 0 - 6.2-8.2 QD1 ILE 93 - HD2 LYS 20 far 0 52 0 - 6.2-8.8 QD1 ILE 93 - HB3 ARG 91 far 0 36 0 - 6.4-7.3 QD1 ILE 76 - HD3 LYS 47 far 0 50 0 - 6.5-8.9 QG2 ILE 15 - HD3 LYS 20 far 0 68 0 - 6.5-8.8 QD1 ILE 93 - HD3 LYS 20 far 0 55 0 - 6.7-8.4 QD1 ILE 76 - HD2 LYS 47 far 0 51 0 - 6.8-9.2 QD2 LEU 2 - HD3 LYS 47 far 0 47 0 - 6.8-12.7 QD2 LEU 103 - HB3 ARG 91 far 0 31 0 - 7.1-15.0 QD2 LEU 57 - HB3 ARG 91 far 0 50 0 - 7.4-9.0 QD2 LEU 38 - HD2 LYS 73 far 0 82 0 - 7.6-10.1 QG2 ILE 52 - HD3 LYS 47 far 0 44 0 - 7.7-10.1 QD1 ILE 76 - HD2 LYS 73 far 0 100 0 - 8.1-9.1 QD2 LEU 2 - HD2 LYS 47 far 0 48 0 - 8.1-13.4 QD1 ILE 76 - HD3 LYS 73 far 0 100 0 - 8.1-9.2 QD2 LEU 38 - HD3 LYS 73 far 0 82 0 - 8.2-11.2 QD2 LEU 42 - HD2 LYS 73 far 0 79 0 - 8.3-10.4 QG2 ILE 7 - HD2 LYS 20 far 0 70 0 - 8.4-10.2 QD1 ILE 15 - HD2 LYS 20 far 0 39 0 - 8.5-10.2 QG2 ILE 7 - HD3 LYS 20 far 0 74 0 - 8.7-11.1 QG2 ILE 52 - HD2 LYS 47 far 0 45 0 - 8.7-10.0 QD1 ILE 15 - HD3 LYS 20 far 0 41 0 - 8.7-10.7 QD2 LEU 42 - HD3 LYS 73 far 0 79 0 - 8.8-10.8 QD2 LEU 42 - HD3 LYS 47 far 0 33 0 - 9.2-11.9 QD1 LEU 27 - HB3 ARG 91 far 0 35 0 - 9.4-10.4 QG1 VAL 54 - HD3 LYS 47 far 0 28 0 - 9.6-12.9 QD2 LEU 42 - HD2 LYS 47 far 0 34 0 - 9.6-11.9 QD1 LEU 27 - HD2 LYS 20 far 0 51 0 - 9.8-11.7 QG1 VAL 54 - HD2 LYS 47 far 0 29 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10859 from cnoeabs.peaks (4.17, 4.40, 55.19 ppm; 4.46 A): 1 out of 3 assignments used, quality = 0.99: HA LYS 73 + HA MET 74 OK 99 100 100 99 4.6-4.8 4.8=78, ~7213=39...(19) HA GLN 72 - HA MET 74 far 0 94 0 - 6.2-6.6 HA LYS 47 - HA MET 74 far 0 79 0 - 8.4-11.1 Violated in 20 structures by 0.20 A. Peak 10860 from cnoeabs.peaks (3.85, 2.06, 33.37 ppm; 6.04 A): 2 out of 6 assignments used, quality = 1.00: HA ALA 71 + HB2 MET 74 OK 100 100 100 100 3.1-5.1 9552/2.9=89...(15) HA GLU 43 + HB2 MET 74 OK 59 75 100 78 3.6-5.5 9611/2.9=34, 9610/4.2=29...(10) HB3 SER 49 - HB2 MET 74 poor 15 100 45 33 6.2-14.5 9668/9596=14...(4) HA LYS 40 - HB2 MET 74 poor 9 98 40 24 6.8-8.7 9610/4.2=20, 1956/1987=3 HA ALA 67 - HB2 MET 74 far 0 100 0 - 8.5-10.3 HA LEU 38 - HB2 MET 74 far 0 90 0 - 9.5-10.8 Violated in 0 structures by 0.00 A. Peak 10861 from cnoeabs.peaks (3.84, 1.96, 33.37 ppm; 5.88 A): 1 out of 6 assignments used, quality = 0.99: HA ALA 71 + HB3 MET 74 OK 99 99 100 100 2.8-4.7 9552/2.9=86, 9613/2.9=85...(22) HA LYS 40 - HB3 MET 74 poor 16 82 20 - 6.9-9.0 HB3 SER 49 - HB3 MET 74 poor 16 93 45 39 6.0-13.8 9071/9654=13...(10) HA LYS 68 - HB3 MET 74 far 0 73 0 - 8.4-10.6 HA ALA 67 - HB3 MET 74 far 0 96 0 - 8.7-10.5 HA LEU 38 - HB3 MET 74 far 0 65 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 10862 from cnoeabs.peaks (4.17, 2.62, 33.04 ppm; 6.14 A): 3 out of 4 assignments used, quality = 1.00: HA LYS 73 + HG3 MET 74 OK 100 100 100 100 5.7-7.1 3.6/7229=97...(14) HA GLN 72 + HG3 MET 74 OK 91 98 100 93 4.8-7.4 10848/7229=57...(6) HB2 SER 59 + HB VAL 58 OK 64 64 100 100 4.3-5.9 6963/4.4=86...(11) HA LYS 47 - HG3 MET 74 far 0 87 0 - 9.3-11.9 Violated in 0 structures by 0.00 A. Peak 10863 from cnoeabs.peaks (4.05, 2.62, 33.04 ppm; 6.50 A): 3 out of 5 assignments used, quality = 0.97: HA LEU 70 + HG3 MET 74 OK 80 81 100 100 4.8-6.6 10282/3.4=80...(13) HB3 SER 59 + HB VAL 58 OK 63 63 100 100 4.5-5.9 6964/4.4=90, 4.6/9410=66...(11) HA ARG 46 + HG3 MET 74 OK 53 84 95 66 5.6-8.1 9639/10879=25, 10612=16...(11) HB2 SER 49 - HG3 MET 74 far 0 99 0 - 8.6-13.5 HA LYS 66 - HB VAL 58 far 0 44 0 - 8.8-9.5 Violated in 0 structures by 0.00 A. Peak 10865 from cnoeabs.peaks (2.17, 4.40, 55.19 ppm; 4.23 A): 3 out of 6 assignments used, quality = 0.95: HG3 GLU 75 + HA MET 74 OK 78 99 100 79 3.5-4.3 10864/3.0=26...(11) HB2 GLU 75 + HA MET 74 OK 61 75 100 81 4.2-4.5 2.9/9624=25, ~9625=22...(10) HG2 GLU 75 + HA MET 74 OK 37 100 50 75 4.0-5.9 3402/3.6=21, 4.0/9624=21...(10) HG2 GLU 43 - HA MET 74 far 4 90 5 - 4.9-8.2 HB3 GLU 75 - HA MET 74 far 0 88 0 - 5.8-5.8 HB2 GLN 72 - HA MET 74 far 0 100 0 - 7.5-8.1 Violated in 0 structures by 0.00 A. Peak 10868 from cnoeabs.peaks (0.89, 2.00, 17.28 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.99: QG2 ILE 76 + QE MET 74 OK 99 99 100 99 4.4-5.9 3.2/9606=59...(31) QD1 LEU 38 + QE MET 74 OK 24 75 50 64 3.2-7.1 12068/10340=20...(11) QG1 VAL 32 - QE MET 74 far 0 96 0 - 6.6-7.7 QD1 LEU 103 - QE MET 74 far 0 82 0 - 9.0-19.4 HG13 ILE 8 - QE MET 74 far 0 100 0 - 9.5-11.8 Violated in 11 structures by 0.43 A. Peak 10869 from cnoeabs.peaks (2.89, 2.00, 17.28 ppm; 4.23 A): 2 out of 5 assignments used, quality = 0.99: HE3 LYS 39 + QE MET 74 OK 94 99 100 95 2.8-5.4 3.5/12073=58...(11) HE2 LYS 39 + QE MET 74 OK 87 96 95 95 3.2-5.8 3.5/12073=58...(11) HE3 LYS 66 - QE MET 74 far 0 96 0 - 6.5-10.6 HE2 LYS 66 - QE MET 74 far 0 99 0 - 7.0-11.6 HE2 LYS 68 - QE MET 74 far 0 87 0 - 9.8-13.3 Violated in 4 structures by 0.05 A. Peak 10870 from cnoeabs.peaks (3.73, 2.00, 17.28 ppm; 4.70 A): 1 out of 2 assignments used, quality = 0.89: HA LEU 42 + QE MET 74 OK 89 90 100 100 4.9-6.0 3.6/9585=73, 4.0/9605=67...(19) HA GLU 37 - QE MET 74 far 0 94 0 - 7.0-8.2 Violated in 20 structures by 0.79 A. Peak 10871 from cnoeabs.peaks (1.41, 4.40, 55.19 ppm; 5.36 A): 2 out of 3 assignments used, quality = 1.00: QB ALA 71 + HA MET 74 OK 99 100 100 99 6.3-6.7 ~10858=60, ~10828=45...(17) HG13 ILE 76 + HA MET 74 OK 84 84 100 100 4.8-5.4 ~9664=63, ~9591=51...(27) HG3 LYS 39 - HA MET 74 far 4 75 5 - 6.5-9.9 Violated in 0 structures by 0.00 A. Peak 10875 from cnoeabs.peaks (3.87, 1.44, 26.75 ppm; 4.04 A): 7 out of 18 assignments used, quality = 1.00: HA GLU 43 + HG13 ILE 76 OK 87 99 100 88 4.0-5.2 4045/1.8=28...(24) HA ARG 91 + HG3 ARG 91 OK 84 84 100 100 3.1-3.4 4.0=100 HB3 SER 49 + HG13 ILE 76 OK 65 95 75 91 3.6-10.2 9071/3.2=34, ~9065=28...(21) HA LEU 38 + HG LEU 38 OK 58 58 100 100 2.1-3.8 3.7=100 HA GLU 35 + HG LEU 38 OK 51 54 100 96 2.5-5.2 10168/2.1=37...(30) HA ALA 67 + HG LEU 38 OK 38 48 100 78 1.8-5.1 1659/2.1=23, 1635/3.0=18...(21) HA ALA 71 + HG13 ILE 76 OK 27 81 35 97 4.9-6.1 10837/1.8=38, ~12176=29...(21) HA GLU 63 - HG LEU 38 poor 5 26 20 - 4.5-8.2 HA ALA 71 - HG LEU 38 far 0 40 0 - 6.1-8.7 HB2 SER 85 - HG3 ARG 91 far 0 65 0 - 6.3-7.9 HA ALA 89 - HG3 ARG 91 far 0 68 0 - 6.4-6.6 HA ALA 89 - HG LEU 29 far 0 64 0 - 7.2-9.6 HA LYS 40 - HG LEU 38 far 0 56 0 - 7.3-9.8 HA LYS 94 - HG3 ARG 91 far 0 88 0 - 8.4-9.8 HA LYS 40 - HG13 ILE 76 far 0 99 0 - 8.6-10.0 HA LYS 12 - HG LEU 29 far 0 74 0 - 9.2-11.1 HA LYS 94 - HG LEU 29 far 0 83 0 - 9.7-13.1 HA GLU 43 - HG LEU 38 far 0 56 0 - 9.9-12.4 Violated in 0 structures by 0.00 A. Peak 10876 from cnoeabs.peaks (1.97, 1.44, 26.75 ppm; 4.31 A): 6 out of 24 assignments used, quality = 1.00: HB3 ARG 46 + HG13 ILE 76 OK 100 100 100 100 1.9-4.5 3.0/10177=42, ~9639=41...(36) HB3 MET 74 + HG13 ILE 76 OK 100 100 100 100 2.3-4.6 ~9664=54, ~9595=33...(32) HB2 ARG 46 + HG13 ILE 76 OK 99 99 100 100 1.8-4.9 3.0/10177=42, ~9639=41...(38) QE MET 74 + HG13 ILE 76 OK 60 65 95 96 4.1-5.9 9606/1.8=39, 9604/2.1=28...(23) HB3 ARG 19 + HG LEU 29 OK 49 49 100 100 4.6-5.8 ~8673=43, 3.0/787=33...(31) HB VAL 32 + HG LEU 38 OK 41 43 100 96 3.6-5.8 2.1/8944=41, 1399/2.1=28...(17) HB2 GLU 37 - HG LEU 38 poor 19 54 35 - 5.4-8.5 QE MET 74 - HG LEU 38 far 2 31 5 - 5.3-8.3 HB2 GLU 17 - HG3 ARG 91 far 0 72 0 - 6.2-8.6 HG3 GLU 88 - HG3 ARG 91 far 0 75 0 - 6.6-7.8 HB2 GLU 17 - HG LEU 29 far 0 68 0 - 7.2-10.9 HB2 LYS 47 - HG13 ILE 76 far 0 100 0 - 7.4-10.2 HB2 LYS 73 - HG13 ILE 76 far 0 99 0 - 7.7-8.9 HB2 GLU 44 - HG13 ILE 76 far 0 68 0 - 7.9-9.6 HB3 LYS 20 - HG LEU 29 far 0 57 0 - 8.0-10.4 HB3 LYS 73 - HG13 ILE 76 far 0 99 0 - 8.3-9.9 HB3 GLU 44 - HG13 ILE 76 far 0 68 0 - 8.4-10.4 HB3 LYS 24 - HG LEU 29 far 0 85 0 - 8.9-11.6 HB2 LYS 73 - HG LEU 38 far 0 56 0 - 9.0-11.1 HB VAL 32 - HG LEU 29 far 0 66 0 - 9.2-11.7 QE MET 1 - HG13 ILE 76 far 0 99 0 - 9.3-12.6 HB3 MET 74 - HG LEU 38 far 0 58 0 - 9.3-11.8 HB2 GLU 44 - HG LEU 38 far 0 32 0 - 9.5-13.5 HB2 LYS 24 - HG LEU 29 far 0 85 0 - 9.9-12.7 Violated in 0 structures by 0.00 A. Peak 10877 from cnoeabs.peaks (0.69, 0.88, 17.57 ppm; 3.25 A): 4 out of 11 assignments used, quality = 0.99: QD1 ILE 52 + QG2 ILE 76 OK 93 100 100 93 1.9-4.3 10640=28, 9027/9025=21...(30) QG2 VAL 78 + QG2 ILE 76 OK 62 82 80 94 4.3-4.9 2.1/10906=43...(24) QG2 VAL 54 + QG2 ILE 76 OK 51 57 100 88 2.0-2.9 11070=38, 2.1/9233=32...(25) QD1 LEU 42 + QG2 ILE 76 OK 43 100 45 97 4.1-5.4 9667/3.2=35...(32) QD1 ILE 56 - QG2 ILE 76 far 0 98 0 - 5.2-7.2 QD2 LEU 6 - QG2 ILE 76 far 0 99 0 - 6.2-7.1 HG13 ILE 56 - QG2 ILE 76 far 0 92 0 - 6.6-8.9 QG1 VAL 5 - QG2 ILE 76 far 0 73 0 - 8.4-9.8 QD2 LEU 27 - QG2 ILE 76 far 0 68 0 - 8.5-9.6 QD1 ILE 8 - QG2 ILE 76 far 0 96 0 - 8.8-10.2 QG1 VAL 58 - QG2 ILE 76 far 0 84 0 - 9.8-10.9 Violated in 0 structures by 0.00 A. Peak 10878 from cnoeabs.peaks (3.69, 0.80, 13.65 ppm; 4.54 A): 1 out of 2 assignments used, quality = 0.99: HA LEU 42 + QD1 ILE 76 OK 99 99 100 100 2.8-3.4 3.0/10286=73...(34) HA GLU 37 - QD1 ILE 76 far 0 97 0 - 8.6-9.9 Violated in 0 structures by 0.00 A. Peak 10879 from cnoeabs.peaks (2.63, 0.80, 13.65 ppm; 5.45 A): 3 out of 3 assignments used, quality = 1.00: HG3 MET 74 + QD1 ILE 76 OK 100 100 100 100 1.8-2.6 1.8/10880=78, ~9664=62...(33) HB3 ASP 77 + QD1 ILE 76 OK 64 99 65 100 6.4-7.7 7270/3456=68...(11) HB3 TYR 41 + QD1 ILE 76 OK 41 98 80 53 6.4-7.1 8919/10286=27...(8) Violated in 0 structures by 0.00 A. Peak 10880 from cnoeabs.peaks (2.52, 0.80, 13.65 ppm; 5.65 A): 1 out of 2 assignments used, quality = 1.00: HG2 MET 74 + QD1 ILE 76 OK 100 100 100 100 3.1-3.7 ~9664=66, ~9606=58...(25) HG3 GLN 72 - QD1 ILE 76 far 0 98 0 - 7.2-8.4 Violated in 0 structures by 0.00 A. Peak 10881 from cnoeabs.peaks (3.19, 0.80, 13.65 ppm; 4.89 A): 1 out of 2 assignments used, quality = 1.00: HD3 ARG 46 + QD1 ILE 76 OK 100 100 100 100 1.9-3.5 9020=99, 1.8/9017=87...(30) HB2 ASP 77 - QD1 ILE 76 far 0 93 0 - 6.6-7.5 Violated in 0 structures by 0.00 A. Peak 10882 from cnoeabs.peaks (3.31, 0.80, 13.65 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: HD2 ARG 46 + QD1 ILE 76 OK 100 100 100 100 1.9-3.9 9017=100, 1.8/9020=94...(30) Violated in 0 structures by 0.00 A. Peak 10883 from cnoeabs.peaks (1.29, 0.88, 17.57 ppm; 4.73 A): 1 out of 3 assignments used, quality = 0.98: HB3 LEU 42 + QG2 ILE 76 OK 98 98 100 100 2.4-4.1 10884/2.1=57...(34) HG LEU 3 - QG2 ILE 76 far 0 99 0 - 8.4-9.2 HG2 ARG 30 - QG2 ILE 76 far 0 100 0 - 8.8-10.4 Violated in 0 structures by 0.00 A. Peak 10884 from cnoeabs.peaks (1.30, 1.64, 40.34 ppm; 5.51 A): 1 out of 2 assignments used, quality = 1.00: HB3 LEU 42 + HB ILE 76 OK 100 100 100 100 2.9-4.0 10883/2.1=90...(33) QB ALA 67 - HB ILE 76 far 0 63 0 - 7.1-8.5 Violated in 0 structures by 0.00 A. Peak 10885 from cnoeabs.peaks (5.17, 0.80, 13.65 ppm; 6.29 A): 2 out of 4 assignments used, quality = 1.00: HA VAL 54 + QD1 ILE 76 OK 99 99 100 100 6.9-7.7 3.0/10888=81, ~11070=67...(13) HA VAL 78 + QD1 ILE 76 OK 85 85 100 100 6.1-6.4 ~10898=57, ~10287=57...(20) HA LEU 3 - QD1 ILE 76 far 0 59 0 - 8.8-9.8 HA TYR 4 - QD1 ILE 76 far 0 87 0 - 8.8-10.1 Violated in 0 structures by 0.00 A. Peak 10886 from cnoeabs.peaks (6.99, 1.09, 26.75 ppm; 6.04 A): 1 out of 1 assignment used, quality = 0.96: HE ARG 91 + HG2 ARG 91 OK 96 96 100 100 2.2-3.6 4.0=100 Violated in 0 structures by 0.00 A. Peak 10887 from cnoeabs.peaks (8.27, 0.80, 13.65 ppm; 5.29 A): 2 out of 2 assignments used, quality = 1.00: H PHE 45 + QD1 ILE 76 OK 99 99 100 100 3.4-4.4 6741/9630=77...(20) H ALA 71 + QD1 ILE 76 OK 98 99 100 99 5.0-6.1 7165/12176=55, ~10837=52...(16) Violated in 0 structures by 0.00 A. Peak 10888 from cnoeabs.peaks (8.50, 0.80, 13.65 ppm; 5.81 A): 1 out of 5 assignments used, quality = 0.49: H VAL 54 + QD1 ILE 76 OK 49 98 60 84 6.5-7.6 3.0/10885=34...(8) H LYS 53 - QD1 ILE 76 far 3 65 5 - 7.1-8.6 H ARG 79 - QD1 ILE 76 far 0 100 0 - 7.4-7.8 H ASN 51 - QD1 ILE 76 far 0 75 0 - 8.8-10.0 H ALA 67 - QD1 ILE 76 far 0 88 0 - 9.5-10.5 Violated in 20 structures by 1.37 A. Peak 10890 from cnoeabs.peaks (8.78, 3.21, 40.23 ppm; 5.11 A): 0 out of 0 assignments used, quality = 0.00: Peak 10892 from cnoeabs.peaks (1.84, 3.21, 40.23 ppm; 5.46 A): 1 out of 3 assignments used, quality = 0.85: HB2 LYS 53 + HB2 ASP 77 OK 85 100 85 100 4.8-7.4 3.0/9673=87...(13) HG2 ARG 46 - HB2 ASP 77 far 0 96 0 - 7.4-12.3 HB2 LEU 42 - HB2 ASP 77 far 0 70 0 - 9.8-11.6 Violated in 14 structures by 0.52 A. Peak 10893 from cnoeabs.peaks (1.66, 3.21, 40.23 ppm; 5.48 A): 3 out of 5 assignments used, quality = 1.00: HB ILE 76 + HB2 ASP 77 OK 94 94 100 100 5.6-6.7 7263/7269=80...(16) HB3 LYS 53 + HB2 ASP 77 OK 88 88 100 100 4.0-6.6 3.0/9673=88...(14) HB ILE 52 + HB2 ASP 77 OK 71 99 95 75 5.5-7.2 ~12317=30, 2349/9679=21...(10) HB3 ARG 79 - HB2 ASP 77 poor 13 99 25 51 6.1-9.9 3514/9242=23...(5) HB2 LEU 2 - HB2 ASP 77 far 0 59 0 - 7.3-10.9 Violated in 0 structures by 0.00 A. Peak 10894 from cnoeabs.peaks (0.86, 3.21, 40.23 ppm; 5.66 A): 1 out of 4 assignments used, quality = 0.87: QG2 ILE 76 + HB2 ASP 77 OK 87 87 100 100 3.6-4.8 4.3/7269=84, 9676/3.0=80...(20) QD2 LEU 103 - HB2 ASP 77 far 7 71 10 - 5.7-12.4 QD1 LEU 2 - HB2 ASP 77 lone 6 88 55 12 6.7-8.0 12039/9674=6, 86/10893=2...(4) QD1 LEU 103 - HB2 ASP 77 far 0 100 0 - 7.2-13.7 Violated in 0 structures by 0.00 A. Peak 10895 from cnoeabs.peaks (0.73, 3.21, 40.23 ppm; 5.99 A): 4 out of 9 assignments used, quality = 1.00: QG2 VAL 78 + HB2 ASP 77 OK 99 99 100 100 6.0-6.7 8181/3.0=88, ~9682=63...(14) QG1 VAL 78 + HB2 ASP 77 OK 97 97 100 100 4.5-5.3 ~8181=66, ~9682=63...(14) QG1 VAL 54 + HB2 ASP 77 OK 55 77 80 90 6.1-8.1 4.0/9242=76...(8) QD1 ILE 52 + HB2 ASP 77 OK 54 63 100 86 4.2-7.3 ~12317=31, 10897/7269=28...(14) QD1 ILE 56 - HB2 ASP 77 far 9 87 10 - 7.4-10.3 QD2 LEU 42 - HB2 ASP 77 lone 1 68 55 2 6.6-9.3 QD2 LEU 27 - HB2 ASP 77 far 0 100 0 - 8.9-11.0 QD1 LEU 27 - HB2 ASP 77 far 0 63 0 - 9.1-12.2 QD1 LEU 6 - HB2 ASP 77 far 0 59 0 - 9.1-12.2 Violated in 0 structures by 0.00 A. Peak 10900 from cnoeabs.peaks (4.69, 0.74, 21.24 ppm; 4.44 A): 5 out of 7 assignments used, quality = 0.99: HA ARG 79 + QG1 VAL 78 OK 89 94 100 95 5.2-5.4 ~7284=36, ~7285=31...(19) HA LEU 55 + QG1 VAL 54 OK 64 66 100 97 3.6-4.8 2.9/2504=50, ~6902=36...(15) HA ARG 79 + QG2 VAL 78 OK 56 59 100 96 2.9-3.1 ~7284=36, ~7285=31...(21) HA LEU 55 + QG1 VAL 78 OK 39 87 80 57 5.1-6.1 11118/4.3=35, ~12107=11...(7) HA LEU 55 + QG2 VAL 78 OK 27 52 100 51 4.2-5.3 11118/4.3=35, 3.6/6925=8...(10) HA ARG 79 - QG1 VAL 54 far 0 74 0 - 6.2-7.6 HA LYS 82 - QG2 VAL 78 far 0 66 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 10901 from cnoeabs.peaks (4.69, 0.72, 21.10 ppm; 4.53 A): 5 out of 9 assignments used, quality = 0.99: HA ARG 79 + QG2 VAL 78 OK 87 90 100 97 2.9-3.1 ~7284=38, ~7285=32...(22) HA LEU 55 + QG1 VAL 5 OK 64 64 100 100 4.2-5.3 ~8198=43, ~12108=41...(24) HA LEU 55 + QG2 VAL 78 OK 63 92 100 68 4.2-5.3 11118/4.3=41...(13) HA ARG 79 + QG1 VAL 78 OK 52 55 100 96 5.2-5.4 ~7284=38, ~7285=32...(19) HA LEU 55 + QG1 VAL 78 OK 31 57 95 57 5.1-6.1 11118/4.3=41, ~12107=12...(7) HA LEU 27 - QG1 VAL 5 far 0 40 0 - 6.8-7.6 HA LYS 82 - QG1 VAL 5 far 0 72 0 - 8.1-9.6 HA ARG 79 - QG1 VAL 5 far 0 62 0 - 8.3-9.3 HA LYS 82 - QG2 VAL 78 far 0 99 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 10902 from cnoeabs.peaks (4.56, 0.72, 21.10 ppm; 4.59 A): 2 out of 5 assignments used, quality = 0.99: HA ASP 77 + QG2 VAL 78 OK 97 98 100 99 4.3-4.8 7274/4.0=76, 9682/2.1=63...(12) HA ASP 77 + QG1 VAL 78 OK 63 64 100 99 3.6-3.9 7274/4.0=76, 9682/2.1=63...(13) HA PHE 45 - QG1 VAL 78 far 0 36 0 - 6.2-8.3 HA HIS 105 - QG2 VAL 78 far 0 65 0 - 7.7-15.0 HA PHE 45 - QG2 VAL 78 far 0 63 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 10903 from cnoeabs.peaks (4.55, 0.74, 21.24 ppm; 4.65 A): 2 out of 6 assignments used, quality = 0.98: HA ASP 77 + QG1 VAL 78 OK 94 95 100 99 3.6-3.9 7274/4.0=75, 9682/2.1=66...(13) HA ASP 77 + QG2 VAL 78 OK 59 60 100 99 4.3-4.8 7274/4.0=75, 9682/2.1=66...(11) HA PHE 45 - QG1 VAL 54 poor 19 54 35 - 5.7-7.1 HA PHE 45 - QG1 VAL 78 far 0 73 0 - 6.2-8.3 HA ASP 77 - QG1 VAL 54 far 0 75 0 - 6.6-7.8 HA PHE 45 - QG2 VAL 78 far 0 42 0 - 8.7-10.9 Violated in 0 structures by 0.00 A. Peak 10904 from cnoeabs.peaks (3.81, 0.74, 21.24 ppm; 4.25 A): 4 out of 16 assignments used, quality = 0.97: HA ALA 71 + QG1 VAL 78 OK 75 75 100 99 3.0-3.5 2.1/10290=58, ~9685=53...(23) HA LYS 68 + QG1 VAL 78 OK 57 99 80 72 4.8-6.1 8509/2.1=25, 9687/2.1=20...(13) HA LYS 68 + QG2 VAL 78 OK 50 65 100 76 2.7-4.1 8509=28, 9687/2.1=20...(17) HA ALA 71 + QG2 VAL 78 OK 43 44 100 99 3.5-4.1 ~9685=53, ~10290=38...(20) HA ALA 67 - QG2 VAL 78 poor 6 33 65 28 5.0-6.3 4.8/8509=13, 3.6/9531=9...(5) HA ALA 67 - QG1 VAL 78 far 0 59 0 - 6.0-7.4 HA ALA 71 - QG1 VAL 54 far 0 56 0 - 6.0-7.7 HA LYS 68 - QG1 VAL 54 far 0 81 0 - 6.5-9.2 HA ALA 67 - QG1 VAL 54 far 0 43 0 - 6.7-8.5 HB3 SER 102 - QG2 VAL 78 far 0 67 0 - 7.2-14.6 HB3 SER 102 - QG1 VAL 78 far 0 100 0 - 8.1-14.2 HA SER 97 - QG1 VAL 54 far 0 83 0 - 8.3-9.8 HB3 SER 102 - QG1 VAL 54 far 0 83 0 - 8.5-14.7 HA ALA 22 - QG1 VAL 54 far 0 79 0 - 8.6-9.6 HA ARG 19 - QG1 VAL 54 far 0 83 0 - 8.8-10.1 HA ALA 18 - QG1 VAL 54 far 0 43 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 10905 from cnoeabs.peaks (3.82, 0.72, 21.10 ppm; 4.02 A): 6 out of 15 assignments used, quality = 0.99: HA ALA 71 + QG2 VAL 78 OK 81 82 100 99 3.5-4.1 ~9685=48, 2.1/10292=36...(22) HA LYS 68 + QG2 VAL 78 OK 76 98 100 78 2.7-4.1 8509=18, 9687/2.1=17...(18) HA ALA 22 + QG1 VAL 5 OK 62 74 100 84 4.6-5.5 ~8578=39, 8576/2.1=34...(14) HA ALA 71 + QG1 VAL 78 OK 48 49 100 98 3.0-3.5 ~9685=48, 2.1/9553=36...(21) HA LYS 68 + QG1 VAL 78 OK 26 63 65 65 4.8-6.1 8509/2.1=23, 9687/2.1=17...(13) HA ARG 19 + QG1 VAL 5 OK 21 74 80 36 4.5-5.7 10368/2.1=9...(9) HA ALA 67 - QG2 VAL 78 poor 11 68 50 31 5.0-6.3 3.6/9531=8, 4.8/8509=8...(6) HA ALA 67 - QG1 VAL 78 far 0 38 0 - 6.0-7.4 HB3 SER 49 - QG1 VAL 78 far 0 34 0 - 6.7-10.2 HA SER 97 - QG1 VAL 5 far 0 76 0 - 6.8-7.8 HB3 SER 102 - QG2 VAL 78 far 0 99 0 - 7.2-14.6 HB3 SER 102 - QG1 VAL 78 far 0 66 0 - 8.1-14.2 HB3 SER 49 - QG2 VAL 78 far 0 61 0 - 9.0-12.6 HB3 SER 102 - QG1 VAL 5 far 0 74 0 - 9.2-15.9 HA LYS 68 - QG1 VAL 5 far 0 71 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 10906 from cnoeabs.peaks (0.86, 0.74, 21.24 ppm; 2.95 A): 2 out of 27 assignments used, quality = 0.89: QG2 ILE 76 + QG1 VAL 78 OK 81 92 100 88 2.0-2.6 10287/2.1=23...(30) QG2 ILE 76 + QG1 VAL 54 OK 40 71 75 76 3.4-4.5 11070/2.1=42...(21) QG2 ILE 76 - QG2 VAL 78 poor 11 57 20 - 4.3-4.9 QD1 LEU 103 - QG2 VAL 78 far 7 68 10 - 4.1-13.2 QD1 LEU 38 - QG2 VAL 78 far 3 67 5 - 4.3-6.4 QD2 LEU 103 - QG2 VAL 78 far 2 36 5 - 4.1-13.1 QD1 LEU 38 - QG1 VAL 54 far 0 83 0 - 4.6-6.7 QD1 LEU 38 - QG1 VAL 78 far 0 100 0 - 4.8-6.8 QD2 LEU 103 - QG1 VAL 78 far 0 63 0 - 5.0-12.9 QG2 VAL 32 - QG1 VAL 54 far 0 54 0 - 5.3-6.3 QD1 LEU 103 - QG1 VAL 78 far 0 100 0 - 5.7-13.5 QD1 LEU 57 - QG1 VAL 54 far 0 48 0 - 6.0-8.3 QD1 LEU 57 - QG2 VAL 78 far 0 37 0 - 6.2-8.6 QD1 LEU 2 - QG1 VAL 54 far 0 72 0 - 6.4-8.0 QG2 VAL 32 - QG2 VAL 78 far 0 42 0 - 6.6-7.6 QD2 LEU 103 - QG1 VAL 54 far 0 46 0 - 6.7-12.6 QG2 VAL 32 - QG1 VAL 78 far 0 73 0 - 7.0-7.5 QD1 LEU 2 - QG1 VAL 78 far 0 93 0 - 7.2-8.7 QD1 LEU 57 - QG1 VAL 78 far 0 65 0 - 7.3-10.0 QD1 LEU 103 - QG1 VAL 54 far 0 83 0 - 7.4-13.1 QD2 LEU 64 - QG2 VAL 78 far 0 68 0 - 7.5-8.2 HG13 ILE 8 - QG1 VAL 54 far 0 66 0 - 7.7-9.0 HG13 ILE 8 - QG2 VAL 78 far 0 52 0 - 8.1-9.7 HG13 ILE 7 - QG1 VAL 54 far 0 57 0 - 8.6-10.3 HG13 ILE 8 - QG1 VAL 78 far 0 87 0 - 9.2-10.6 QD1 LEU 2 - QG2 VAL 78 far 0 58 0 - 9.3-10.6 QD2 LEU 64 - QG1 VAL 78 far 0 100 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 10907 from cnoeabs.peaks (0.95, 0.72, 21.10 ppm; 2.94 A): 3 out of 13 assignments used, quality = 0.95: QG2 VAL 5 + QG1 VAL 5 OK 74 74 100 100 2.0-2.1 2.1=100 HG LEU 55 + QG1 VAL 5 OK 66 73 100 90 2.4-3.5 2.1/8195=26, ~8197=19...(25) QG2 THR 80 + QG2 VAL 78 OK 41 84 100 49 2.9-4.3 10288/2.1=10, 9733=9...(15) QG2 THR 80 - QG1 VAL 78 far 0 50 0 - 5.0-5.8 QG2 VAL 83 - QG1 VAL 5 far 0 74 0 - 5.6-6.2 HB2 ARG 81 - QG1 VAL 5 far 0 62 0 - 6.0-8.3 HG LEU 55 - QG2 VAL 78 far 0 99 0 - 6.3-7.2 QG2 THR 80 - QG1 VAL 5 far 0 57 0 - 6.6-7.3 QG2 VAL 5 - QG1 VAL 78 far 0 66 0 - 7.0-8.0 QG2 VAL 5 - QG2 VAL 78 far 0 99 0 - 7.2-8.7 HG LEU 55 - QG1 VAL 78 far 0 65 0 - 7.3-8.4 HB2 ARG 81 - QG2 VAL 78 far 0 90 0 - 8.2-9.0 QG2 VAL 83 - QG2 VAL 78 far 0 99 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 10908 from cnoeabs.peaks (0.72, 1.65, 31.20 ppm; 5.42 A): 4 out of 15 assignments used, quality = 1.00: QG2 VAL 78 + HB3 ARG 79 OK 98 100 100 98 4.3-4.9 4.3/7290=77...(17) QD1 ILE 56 + HB3 ARG 79 OK 80 99 95 85 4.2-8.2 5.0/9699=42...(14) QG1 VAL 78 + HB3 ARG 79 OK 79 81 100 98 5.7-6.9 4.3/7290=77...(17) HG3 ARG 81 + HB3 ARG 79 OK 40 90 55 82 5.0-7.4 3614/9252=37...(8) HG13 ILE 56 - HB3 ARG 79 poor 20 100 20 - 6.1-9.2 QD1 LEU 64 - HB3 ARG 79 far 13 87 15 - 6.0-7.9 QG1 VAL 5 - HB3 ARG 79 far 5 99 5 - 6.6-8.9 QG2 ILE 93 - HB3 ARG 79 far 0 71 0 - 8.0-10.9 QD1 ILE 52 - HB3 ARG 79 far 0 88 0 - 8.1-11.5 QD1 LEU 42 - HB3 ARG 79 far 0 79 0 - 8.1-9.8 QG1 VAL 58 - HB3 ARG 79 far 0 100 0 - 8.2-9.9 QD2 LEU 6 - HB3 ARG 79 far 0 75 0 - 8.4-10.0 HG13 ILE 93 - HB3 ARG 79 far 0 84 0 - 8.4-11.7 QD2 LEU 27 - HB3 ARG 79 far 0 98 0 - 8.7-11.1 QD1 ILE 8 - HB3 ARG 79 far 0 99 0 - 9.2-10.6 Violated in 0 structures by 0.00 A. Peak 10909 from cnoeabs.peaks (0.73, 1.60, 31.20 ppm; 5.57 A): 8 out of 16 assignments used, quality = 1.00: QG2 VAL 78 + HB2 ARG 79 OK 99 100 100 99 4.4-5.1 4.3/7289=80...(16) QG1 VAL 78 + HB2 ARG 79 OK 92 93 100 99 6.0-6.8 4.3/7289=80...(18) QD1 ILE 56 + HB2 ARG 79 OK 77 93 95 87 3.9-7.5 5.0/9698=46...(13) HG3 ARG 81 + HB2 ARG 79 OK 70 98 90 79 4.9-7.1 1.8/9693=32, ~9694=30...(8) QD1 LEU 64 + HB2 ARG 79 OK 37 96 70 55 6.0-7.4 9715/7299=31...(4) HG13 ILE 56 + HB2 ARG 79 OK 35 98 40 89 5.4-9.2 4.9/9698=46...(10) QG1 VAL 54 + HB2 ARG 79 OK 30 68 75 58 5.7-7.5 4.0/3505=29...(5) QG1 VAL 5 + HB2 ARG 79 OK 29 100 60 49 6.4-9.4 8167/9698=22...(3) QG2 ILE 93 - HB2 ARG 79 far 0 87 0 - 7.8-11.3 QG1 VAL 58 - HB2 ARG 79 far 0 100 0 - 8.1-10.0 HG13 ILE 93 - HB2 ARG 79 far 0 95 0 - 8.1-12.0 QD2 LEU 6 - HB2 ARG 79 far 0 57 0 - 8.2-10.5 QD1 ILE 8 - HB2 ARG 79 far 0 95 0 - 8.3-11.1 QD1 LEU 42 - HB2 ARG 79 far 0 61 0 - 8.3-10.1 QD2 LEU 27 - HB2 ARG 79 far 0 100 0 - 8.6-11.6 QD1 ILE 52 - HB2 ARG 79 far 0 73 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 10910 from cnoeabs.peaks (0.73, 3.07, 43.09 ppm; 4.57 A): 4 out of 34 assignments used, quality = 0.98: QG2 VAL 78 + HD3 ARG 79 OK 81 97 95 88 4.1-6.3 4.3/7293=28, ~12197=28...(14) QG2 VAL 78 + HD2 ARG 79 OK 80 97 95 87 4.1-6.1 3.2/12196=39...(16) QG1 VAL 78 + HD2 ARG 79 OK 42 99 50 84 4.7-7.3 3.2/12196=39...(13) QD1 ILE 56 + HD2 ARG 79 OK 20 81 60 41 3.9-9.0 10908/3.8=10...(7) HG3 ARG 81 - HD2 ARG 79 poor 20 100 35 57 4.6-8.3 ~12214=12, 1.8/12214=11...(11) QD1 ILE 56 - HD3 ARG 79 poor 18 80 60 38 3.9-9.1 10908/3.8=10...(7) HG3 ARG 81 - HD3 ARG 79 poor 17 100 30 56 3.0-7.7 1.8/9696=13, ~12214=10...(11) QG1 VAL 5 - HD2 ARG 79 far 15 99 15 - 5.7-9.7 QG1 VAL 54 - HD2 ARG 79 far 13 84 15 - 5.0-9.3 QG1 VAL 54 - HD3 ARG 79 far 13 84 15 - 4.7-9.2 QG1 VAL 78 - HD3 ARG 79 far 10 99 10 - 5.4-8.1 QD1 LEU 64 - HD3 ARG 79 poor 9 100 25 36 5.7-8.8 9486/5.3=14...(5) QD1 LEU 64 - HD2 ARG 79 far 5 100 5 - 6.0-8.3 QG1 VAL 5 - HD3 ARG 79 far 5 99 5 - 6.0-10.2 HG13 ILE 56 - HD3 ARG 79 far 0 91 0 - 6.3-10.2 QD2 LEU 42 - HD3 ARG 79 far 0 75 0 - 6.5-9.5 QD1 LEU 6 - HD3 ARG 79 far 0 67 0 - 6.7-12.4 QD2 LEU 27 - HD3 ARG 79 far 0 100 0 - 6.9-12.5 HG13 ILE 56 - HD2 ARG 79 far 0 91 0 - 6.9-9.9 QD1 LEU 27 - HD3 ARG 79 far 0 71 0 - 7.0-12.0 QD1 LEU 27 - HD2 ARG 79 far 0 71 0 - 7.3-11.8 QD2 LEU 42 - HD2 ARG 79 far 0 75 0 - 7.3-9.5 QG1 VAL 58 - HD3 ARG 79 far 0 96 0 - 7.7-11.1 QG2 ILE 93 - HD2 ARG 79 far 0 96 0 - 7.8-12.4 HG13 ILE 93 - HD3 ARG 79 far 0 99 0 - 7.8-13.8 QD1 LEU 6 - HD2 ARG 79 far 0 68 0 - 7.8-12.4 QG2 ILE 93 - HD3 ARG 79 far 0 96 0 - 7.8-12.8 HG13 ILE 93 - HD2 ARG 79 far 0 99 0 - 7.8-13.2 QD2 LEU 27 - HD2 ARG 79 far 0 100 0 - 8.0-12.8 QD1 ILE 93 - HD3 ARG 79 far 0 69 0 - 8.3-13.0 QG1 VAL 58 - HD2 ARG 79 far 0 96 0 - 8.3-10.3 QD1 ILE 93 - HD2 ARG 79 far 0 70 0 - 8.4-12.6 QD1 ILE 8 - HD3 ARG 79 far 0 84 0 - 8.5-11.9 QD1 ILE 8 - HD2 ARG 79 far 0 84 0 - 9.4-11.0 Violated in 3 structures by 0.01 A. Peak 10911 from cnoeabs.peaks (0.99, 3.07, 43.09 ppm; 5.69 A): 6 out of 10 assignments used, quality = 0.99: QG2 THR 80 + HD2 ARG 79 OK 83 99 100 84 5.9-7.1 9711/5.3=39...(10) QG2 THR 80 + HD3 ARG 79 OK 74 98 90 84 5.5-7.4 9711/5.3=39...(11) HB3 LEU 55 + HD2 ARG 79 OK 38 65 60 97 1.9-8.8 3.0/12330=56...(18) HG LEU 55 + HD2 ARG 79 OK 27 82 35 93 4.0-8.3 3.7/12330=51...(12) HG LEU 55 + HD3 ARG 79 OK 26 82 35 90 3.7-8.8 2.1/9696=34...(12) HB3 LEU 55 + HD3 ARG 79 OK 25 65 40 97 2.7-9.2 ~12330=43, 3.0/12330=34...(17) QG1 VAL 83 - HD3 ARG 79 far 14 93 15 - 6.6-10.8 QG2 VAL 83 - HD3 ARG 79 far 0 80 0 - 7.6-11.8 QG1 VAL 83 - HD2 ARG 79 far 0 93 0 - 7.8-11.0 QG2 VAL 83 - HD2 ARG 79 far 0 81 0 - 8.7-11.9 Violated in 0 structures by 0.00 A. Peak 10912 from cnoeabs.peaks (6.96, 3.07, 43.09 ppm; 4.41 A): 2 out of 2 assignments used, quality = 0.97: QE PHE 96 + HD2 ARG 79 OK 85 100 95 89 2.0-5.9 10669/12330=29...(20) QE PHE 96 + HD3 ARG 79 OK 78 100 95 82 3.0-6.1 2.2/9700=31, ~9700=19...(16) Violated in 3 structures by 0.05 A. Peak 10914 from cnoeabs.peaks (9.20, 0.98, 22.13 ppm; 4.31 A): 1 out of 2 assignments used, quality = 1.00: H ILE 56 + QG2 THR 80 OK 100 100 100 100 3.8-4.4 9299/3.2=69, 3.8/9729=65...(18) H GLU 35 - QG2 THR 80 far 0 91 0 - 9.1-10.3 Violated in 1 structures by 0.01 A. Peak 10915 from cnoeabs.peaks (8.91, 0.98, 22.13 ppm; 5.12 A): 1 out of 3 assignments used, quality = 0.88: H LEU 57 + QG2 THR 80 OK 88 88 100 100 4.7-5.9 4.1/9734=78, 4.4/9729=75...(15) H VAL 5 - QG2 THR 80 far 0 98 0 - 9.3-10.1 H ASP 77 - QG2 THR 80 far 0 95 0 - 9.5-10.7 Violated in 13 structures by 0.23 A. Peak 10916 from cnoeabs.peaks (3.78, 3.68, 69.77 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.97: HA LYS 68 + HB THR 80 OK 88 88 100 100 3.7-5.4 10260/2.1=63, ~9529=41...(18) HA LEU 64 + HB THR 80 OK 73 73 100 99 2.6-4.5 4.0/10244=60...(16) Violated in 0 structures by 0.00 A. Peak 10917 from cnoeabs.peaks (0.41, 0.98, 22.13 ppm; 4.19 A): 2 out of 2 assignments used, quality = 0.77: QD1 LEU 55 + QG2 THR 80 OK 68 90 80 96 4.9-6.1 2544/10914=45...(18) HG2 ARG 81 + QG2 THR 80 OK 26 97 30 90 5.1-7.3 4.9/3573=44, ~10923=28...(14) Violated in 20 structures by 0.80 A. Peak 10923 from cnoeabs.peaks (5.33, 0.74, 25.88 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: HA THR 80 + HG3 ARG 81 OK 100 100 100 100 5.6-6.2 7311/4.9=83, 9714/3.9=67...(9) Violated in 18 structures by 0.35 A. Peak 10924 from cnoeabs.peaks (5.35, 0.43, 25.88 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.97: HA THR 80 + HG2 ARG 81 OK 97 97 100 100 4.0-6.6 7311/4.9=93...(16) Violated in 1 structures by 0.00 A. Peak 10925 from cnoeabs.peaks (7.48, 1.73, 42.21 ppm; 5.26 A): 1 out of 1 assignment used, quality = 0.69: HZ2 TRP 92 + HD2 ARG 81 OK 69 99 75 93 5.3-7.4 14667=41, ~10000=40...(7) Violated in 20 structures by 0.78 A. Peak 10927 from cnoeabs.peaks (8.54, 1.06, 25.00 ppm; 5.90 A): 2 out of 2 assignments used, quality = 1.00: H VAL 58 + HG2 LYS 82 OK 100 100 100 100 4.3-5.1 9771/7346=91...(12) H ASP 61 + HG2 LYS 82 OK 61 61 100 100 4.0-5.2 4.6/9418=63, ~9766=56...(18) Violated in 0 structures by 0.00 A. Peak 10928 from cnoeabs.peaks (7.74, 1.06, 25.00 ppm; 5.82 A): 2 out of 2 assignments used, quality = 1.00: H ASN 60 + HG2 LYS 82 OK 100 100 100 100 3.0-3.8 9418=100, 9417/1.8=98...(21) H LEU 64 + HG2 LYS 82 OK 92 93 100 99 3.5-5.3 4.5/9761=44...(18) Violated in 0 structures by 0.00 A. Peak 10929 from cnoeabs.peaks (7.73, 1.14, 25.00 ppm; 5.54 A): 2 out of 4 assignments used, quality = 1.00: H ASN 60 + HG3 LYS 82 OK 100 100 100 100 3.2-4.8 9417=99, 9418/1.8=85...(17) H LEU 64 + HG3 LYS 82 OK 97 99 100 99 4.9-6.8 4.5/9762=70...(15) H SER 85 - HG3 LYS 82 poor 15 59 25 - 6.3-7.7 H GLU 37 - HG2 LYS 40 far 0 45 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 10930 from cnoeabs.peaks (7.75, 1.46, 28.90 ppm; 5.81 A): 3 out of 4 assignments used, quality = 1.00: H ASN 60 + HD2 LYS 82 OK 96 96 100 100 4.2-6.3 9417/2.9=85, ~10938=78...(20) H GLU 37 + HD3 LYS 40 OK 89 99 90 100 5.7-8.4 ~1794=57, ~1782=56...(22) H LEU 64 + HD2 LYS 82 OK 80 81 100 99 3.8-6.9 4.5/10940=69...(20) H GLU 37 - HD2 LYS 40 far 10 99 10 - 6.4-8.1 Violated in 0 structures by 0.00 A. Peak 10931 from cnoeabs.peaks (8.57, 1.57, 28.90 ppm; 5.55 A): 2 out of 2 assignments used, quality = 1.00: H ASP 61 + HD3 LYS 82 OK 100 100 100 100 2.5-3.9 9443=99, 3.6/10938=88...(18) H VAL 58 + HD3 LYS 82 OK 70 81 90 97 6.6-7.2 4.0/9768=64...(7) Violated in 0 structures by 0.00 A. Peak 10932 from cnoeabs.peaks (8.39, 1.57, 28.90 ppm; 6.25 A): 2 out of 2 assignments used, quality = 1.00: H GLU 63 + HD3 LYS 82 OK 95 100 100 95 5.4-6.9 9456/9767=64...(9) H GLU 62 + HD3 LYS 82 OK 94 95 100 99 4.6-6.1 3.6/9767=84...(9) Violated in 0 structures by 0.00 A. Peak 10933 from cnoeabs.peaks (7.71, 1.57, 28.90 ppm; 5.73 A): 2 out of 3 assignments used, quality = 1.00: H LEU 64 + HD3 LYS 82 OK 100 100 100 100 4.6-6.0 9470/9767=72...(16) H ASN 60 + HD3 LYS 82 OK 95 95 100 100 3.8-5.2 3.0/10938=97...(22) H SER 85 - HD3 LYS 82 far 0 85 0 - 7.8-9.8 Violated in 0 structures by 0.00 A. Peak 10934 from cnoeabs.peaks (4.81, 1.06, 25.00 ppm; 4.90 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 60 + HG2 LYS 82 OK 100 100 100 100 3.6-4.2 10938/2.9=79...(16) HA VAL 83 + HG2 LYS 82 OK 98 98 100 100 5.0-6.1 3.0/7346=87, ~7347=60...(14) Violated in 0 structures by 0.00 A. Peak 10935 from cnoeabs.peaks (5.06, 1.06, 25.00 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: HA SER 59 + HG2 LYS 82 OK 100 100 100 100 3.2-5.1 10727/1.8=89...(8) Violated in 1 structures by 0.00 A. Peak 10936 from cnoeabs.peaks (4.80, 1.14, 25.00 ppm; 5.10 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 60 + HG3 LYS 82 OK 100 100 100 100 3.6-4.5 10938/2.9=87...(15) HA VAL 83 + HG3 LYS 82 OK 99 99 100 100 3.7-4.8 3.0/7347=89, ~7346=66...(14) Violated in 0 structures by 0.00 A. Peak 10937 from cnoeabs.peaks (5.06, 1.14, 25.00 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: HA SER 59 + HG3 LYS 82 OK 100 100 100 100 3.1-4.4 10727=94, 10935/1.8=84...(9) Violated in 0 structures by 0.00 A. Peak 10938 from cnoeabs.peaks (4.79, 1.57, 28.90 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.91: HA ASN 60 + HD3 LYS 82 OK 91 96 100 95 2.5-3.7 10581/1.8=51...(16) HA VAL 83 - HD3 LYS 82 far 0 100 0 - 5.6-7.1 Violated in 0 structures by 0.00 A. Peak 10940 from cnoeabs.peaks (0.85, 1.46, 28.90 ppm; 4.81 A): 1 out of 20 assignments used, quality = 0.99: QD2 LEU 64 + HD2 LYS 82 OK 99 99 100 100 2.1-4.6 10252/3.5=78...(26) QD1 LEU 57 - HB2 ARG 91 poor 16 23 70 - 5.6-7.1 QG2 VAL 32 - HD2 LYS 40 far 4 87 5 - 6.1-10.3 QD1 LEU 103 - HB2 ARG 91 far 3 32 10 - 5.6-14.9 QD2 LEU 103 - HB2 ARG 91 far 0 23 0 - 6.9-15.7 QG2 VAL 32 - HD3 LYS 40 far 0 86 0 - 7.0-9.1 QD1 LEU 70 - HD3 LYS 40 far 0 58 0 - 7.1-9.3 QD1 LEU 38 - HD2 LYS 40 far 0 99 0 - 7.2-10.2 QD2 LEU 38 - HD2 LYS 40 far 0 72 0 - 7.3-10.4 QD1 LEU 57 - HD2 LYS 82 far 0 82 0 - 7.4-8.8 QD1 LEU 38 - HD3 LYS 40 far 0 99 0 - 7.6-9.0 QD1 LEU 70 - HD2 LYS 40 far 0 58 0 - 7.7-9.6 QD2 LEU 38 - HD3 LYS 40 far 0 71 0 - 7.8-9.8 QD2 LEU 103 - HD2 LYS 82 far 0 81 0 - 8.5-21.1 QD2 LEU 38 - HD2 LYS 82 far 0 73 0 - 9.0-12.3 QD1 LEU 103 - HD2 LYS 82 far 0 99 0 - 9.2-20.0 QG2 ILE 76 - HD3 LYS 40 far 0 77 0 - 9.6-12.3 QG2 ILE 76 - HD2 LYS 40 far 0 78 0 - 9.9-12.3 QD1 LEU 38 - HD2 LYS 82 far 0 100 0 - 9.9-13.5 QG2 VAL 32 - HD2 LYS 82 far 0 88 0 - 10.0-12.9 Violated in 0 structures by 0.00 A. Peak 10941 from cnoeabs.peaks (0.66, 1.46, 28.90 ppm; 5.71 A): 1 out of 12 assignments used, quality = 0.94: QG2 VAL 58 + HD2 LYS 82 OK 94 94 100 100 2.7-4.7 9763/2.9=93, 9760/2.9=91...(19) QD1 LEU 14 - HB2 ARG 91 lone 4 28 85 18 6.9-8.3 9807/9811=7, 8602/6386=6 QD2 LEU 6 - HD2 LYS 40 far 4 78 5 - 6.4-11.0 QD2 LEU 6 - HD3 LYS 40 far 4 77 5 - 7.2-10.5 QD1 LEU 42 - HD2 LYS 40 far 0 74 0 - 7.4-9.2 QD1 LEU 42 - HD3 LYS 40 far 0 73 0 - 7.8-8.7 QD1 LEU 14 - HD2 LYS 82 far 0 92 0 - 7.9-9.8 QG2 VAL 54 - HD2 LYS 40 far 0 100 0 - 9.2-12.9 QG2 VAL 54 - HD3 LYS 40 far 0 99 0 - 9.2-12.8 QD1 LEU 29 - HB2 ARG 91 far 0 34 0 - 9.2-11.8 QD2 LEU 29 - HB2 ARG 91 far 0 30 0 - 9.3-11.7 QD1 ILE 52 - HD3 LYS 40 far 0 62 0 - 9.6-13.2 Violated in 0 structures by 0.00 A. Peak 10942 from cnoeabs.peaks (0.85, 1.57, 28.90 ppm; 5.11 A): 1 out of 5 assignments used, quality = 0.98: QD2 LEU 64 + HD3 LYS 82 OK 98 98 100 100 3.3-4.3 10940/1.8=87...(28) QD1 LEU 57 - HD3 LYS 82 far 0 90 0 - 8.1-9.2 QD2 LEU 103 - HD3 LYS 82 far 0 88 0 - 9.7-22.3 QD2 LEU 38 - HD3 LYS 82 far 0 82 0 - 9.8-11.8 QD1 LEU 38 - HD3 LYS 82 far 0 99 0 - 10.0-13.0 Violated in 0 structures by 0.00 A. Peak 10943 from cnoeabs.peaks (3.66, 1.01, 23.61 ppm; 5.89 A): 2 out of 4 assignments used, quality = 1.00: HA GLU 88 + QG1 VAL 83 OK 100 100 100 100 3.3-3.6 4.2/9814=79, ~9822=74...(33) HA LYS 90 + QG1 VAL 83 OK 97 100 100 97 6.6-7.2 4.8/9824=83, ~9941=35...(7) HB THR 80 - QG1 VAL 83 poor 17 95 35 50 7.0-7.9 11121/9799=27...(3) HA LEU 14 - QG1 VAL 83 far 0 92 0 - 7.4-8.3 Violated in 0 structures by 0.00 A. Peak 10945 from cnoeabs.peaks (3.19, 1.01, 23.61 ppm; 6.02 A): 1 out of 2 assignments used, quality = 1.00: HB3 TRP 92 + QG1 VAL 83 OK 100 100 100 100 3.6-4.6 3.9/9796=96...(14) HB2 HIS 106 - QG1 VAL 83 far 15 99 15 - 4.8-18.5 Violated in 0 structures by 0.00 A. Peak 10946 from cnoeabs.peaks (3.10, 1.01, 23.61 ppm; 5.87 A): 1 out of 6 assignments used, quality = 1.00: HB2 TRP 92 + QG1 VAL 83 OK 100 100 100 100 3.6-4.9 3.9/9796=95...(16) HD3 ARG 79 - QG1 VAL 83 far 12 79 15 - 6.6-10.8 HB2 HIS 105 - QG1 VAL 83 far 4 90 5 - 6.1-16.5 HB3 HIS 105 - QG1 VAL 83 far 3 61 5 - 5.1-16.2 HD2 ARG 79 - QG1 VAL 83 far 0 75 0 - 7.8-11.0 HB2 PHE 96 - QG1 VAL 83 far 0 100 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 10947 from cnoeabs.peaks (1.78, 1.24, 21.00 ppm; 5.17 A): 2 out of 5 assignments used, quality = 0.94: HB3 LYS 82 + QG2 THR 84 OK 84 98 90 96 4.6-7.0 3.5/9838=70...(5) HB2 GLU 88 + QG2 THR 84 OK 59 71 95 87 3.4-6.7 9831/7365=46...(6) HB3 GLU 63 - QG2 THR 84 far 0 100 0 - 7.5-11.8 HD2 LYS 90 - QG2 THR 84 far 0 63 0 - 8.7-13.0 HB2 GLU 104 - QG2 THR 84 far 0 71 0 - 9.8-20.1 Violated in 0 structures by 0.00 A. Peak 10948 from cnoeabs.peaks (0.97, 1.24, 21.00 ppm; 4.49 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 83 + QG2 THR 84 OK 97 99 100 98 4.5-4.9 7361/7365=67...(10) QG1 VAL 83 + QG2 THR 84 OK 57 61 100 94 4.1-5.3 4.0/7365=64, ~9786=36...(9) HB2 ARG 81 - QG2 THR 84 far 0 57 0 - 7.9-8.6 QG2 THR 80 - QG2 THR 84 far 0 99 0 - 8.8-10.9 Violated in 0 structures by 0.00 A. Peak 10953 from cnoeabs.peaks (8.07, 2.10, 31.71 ppm; 5.02 A): 7 out of 8 assignments used, quality = 1.00: H LYS 90 + HB3 PRO 86 OK 91 92 100 99 4.3-4.6 9950/2.3=69...(22) H LYS 90 + HB2 PRO 86 OK 79 80 100 99 5.2-5.6 9950/2.3=69...(18) H ILE 15 + HB2 PRO 86 OK 69 90 100 77 5.1-5.8 3.6/9886=32...(9) H GLU 17 + HB3 PRO 86 OK 54 100 100 54 4.4-6.1 758/12333=22...(10) H LYS 13 + HB2 PRO 86 OK 50 90 85 66 5.8-6.8 6177/10957=30...(8) H GLU 17 + HB2 PRO 86 OK 49 92 100 53 3.9-5.5 758/12333=25...(8) H ILE 15 + HB3 PRO 86 OK 25 99 35 71 6.4-7.2 3.6/9886=29...(9) H LYS 13 - HB3 PRO 86 far 0 99 0 - 7.4-8.5 Violated in 0 structures by 0.00 A. Peak 10954 from cnoeabs.peaks (8.13, 5.14, 55.20 ppm; 5.14 A): 1 out of 2 assignments used, quality = 1.00: H ASP 87 + HA SER 85 OK 100 100 100 100 4.5-4.8 9898=98, 9849/3.0=83...(15) H TRP 92 - HA SER 85 far 0 100 0 - 9.9-10.1 Violated in 0 structures by 0.00 A. Peak 10955 from cnoeabs.peaks (0.69, 3.90, 64.38 ppm; 4.52 A): 5 out of 13 assignments used, quality = 1.00: QD1 LEU 14 + HB2 SER 85 OK 95 96 100 99 4.4-4.9 10413/4.0=53...(21) QD2 LEU 14 + HB3 SER 9 OK 65 65 100 100 2.3-3.4 8401/2.8=56, 8324/1.8=49...(26) QD1 LEU 14 + HB3 SER 9 OK 64 65 100 99 3.6-4.4 8403/2.8=58...(19) QG2 VAL 58 + HB3 SER 9 OK 30 63 80 60 5.0-7.4 2.1/10226=24...(9) QG1 VAL 58 + HB3 SER 9 OK 28 52 80 67 5.2-7.4 10226=23, 4.2/9402=15...(12) QD1 ILE 8 - HB3 SER 9 far 3 65 5 - 5.5-7.7 QD2 LEU 14 - HB2 SER 85 far 0 96 0 - 6.8-7.4 QD1 LEU 29 - HB3 SER 9 far 0 34 0 - 7.5-8.9 QD1 ILE 56 - HB3 SER 9 far 0 66 0 - 8.3-11.9 QG1 VAL 5 - HB3 SER 9 far 0 44 0 - 8.7-9.5 QG2 VAL 58 - HB2 SER 85 far 0 94 0 - 9.2-10.5 HG13 ILE 56 - HB3 SER 9 far 0 60 0 - 9.8-13.0 QD2 LEU 6 - HB3 SER 9 far 0 71 0 - 10.0-10.6 Violated in 0 structures by 0.00 A. Peak 10956 from cnoeabs.peaks (1.70, 5.14, 55.20 ppm; 5.05 A): 3 out of 7 assignments used, quality = 1.00: HG2 PRO 86 + HA SER 85 OK 100 100 100 100 4.6-4.8 1.8/9891=74, ~9873=51...(15) HD2 LYS 13 + HA SER 85 OK 70 100 90 78 4.0-8.7 9875/3.0=18, 3810/4.8=13...(23) HD3 LYS 13 + HA SER 85 OK 65 100 85 76 4.0-7.6 9875/3.0=18, ~9875=13...(23) HD3 LYS 90 - HA SER 85 far 0 100 0 - 7.1-9.8 HG12 ILE 15 - HA SER 85 far 0 100 0 - 8.6-9.5 HB3 ARG 91 - HA SER 85 far 0 96 0 - 9.4-11.3 HB ILE 15 - HA SER 85 far 0 75 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 10957 from cnoeabs.peaks (1.48, 2.12, 31.71 ppm; 5.26 A): 2 out of 12 assignments used, quality = 0.91: HG3 LYS 13 + HB2 PRO 86 OK 85 96 100 88 4.0-6.0 ~3810=13, ~1118=13...(28) HG3 ARG 91 + HB3 PRO 86 OK 42 65 100 64 5.8-6.3 9888/2.3=39, 4061/3.9=23...(8) HG3 LYS 13 - HB3 PRO 86 poor 17 85 20 - 5.6-7.6 HG2 LYS 20 - HB3 PRO 86 far 0 73 0 - 6.8-9.7 HG3 ARG 91 - HB2 PRO 86 far 0 77 0 - 7.3-7.9 HG2 LYS 20 - HB2 PRO 86 far 0 85 0 - 7.4-10.0 HB2 ARG 91 - HB3 PRO 86 far 0 91 0 - 7.6-8.7 HG2 LYS 12 - HB2 PRO 86 far 0 63 0 - 8.0-10.6 HG LEU 57 - HB3 PRO 86 far 0 81 0 - 8.5-9.6 HG LEU 57 - HB2 PRO 86 far 0 93 0 - 8.6-9.8 HB2 ARG 91 - HB2 PRO 86 far 0 100 0 - 8.9-10.2 HG2 LYS 12 - HB3 PRO 86 far 0 53 0 - 9.4-12.1 Violated in 1 structures by 0.01 A. Peak 10958 from cnoeabs.peaks (1.55, 2.12, 31.71 ppm; 5.52 A): 4 out of 8 assignments used, quality = 0.99: HB2 LEU 14 + HB2 PRO 86 OK 79 79 100 100 2.1-3.1 ~8411=66, ~8407=65...(48) HB2 LEU 14 + HB3 PRO 86 OK 67 67 100 100 3.6-4.7 ~8411=66, ~8407=65...(47) HG3 LYS 90 + HB2 PRO 86 OK 62 71 90 96 4.0-7.4 9910/4.9=29...(24) HG3 LYS 90 + HB3 PRO 86 OK 57 60 100 94 2.6-5.8 9910/4.9=29...(24) HB ILE 7 - HB2 PRO 86 far 0 79 0 - 9.4-10.1 HG2 ARG 19 - HB3 PRO 86 far 0 58 0 - 9.7-12.6 HG2 ARG 19 - HB2 PRO 86 far 0 70 0 - 9.7-12.2 HB ILE 7 - HB3 PRO 86 far 0 67 0 - 10.0-10.7 Violated in 0 structures by 0.00 A. Peak 10959 from cnoeabs.peaks (1.50, 1.70, 27.00 ppm; 3.44 A): 2 out of 12 assignments used, quality = 0.71: HB2 LEU 14 + HG2 PRO 86 OK 53 56 100 95 3.9-4.5 12221/1.8=23, ~9890=20...(30) HG LEU 38 + HG LEU 70 OK 38 63 95 62 3.6-6.5 2.1/12070=17...(24) HG3 LYS 66 - HG LEU 70 far 15 100 15 - 2.8-7.1 HG2 LYS 66 - HG LEU 70 far 15 100 15 - 4.5-7.0 HG3 LYS 13 - HG2 PRO 86 far 11 75 15 - 4.1-6.0 HG2 LYS 73 - HG LEU 70 far 0 100 0 - 5.7-7.5 HG12 ILE 56 - HG LEU 70 far 0 68 0 - 7.5-10.1 HG LEU 64 - HG LEU 70 far 0 96 0 - 8.5-9.9 HG2 LYS 20 - HG2 PRO 86 far 0 38 0 - 9.0-11.7 HG LEU 6 - HG LEU 70 far 0 79 0 - 9.2-11.4 HB2 ARG 91 - HG2 PRO 86 far 0 72 0 - 9.4-10.5 HB3 LEU 64 - HG LEU 70 far 0 100 0 - 9.7-11.0 Violated in 18 structures by 0.33 A. Peak 10962 from cnoeabs.peaks (8.05, 4.22, 57.31 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: H LYS 90 + HA ASP 87 OK 100 100 100 100 3.4-3.6 9951=99, 10963/2.9=49...(21) H GLU 17 - HA ASP 87 far 0 96 0 - 7.6-9.4 H ILE 15 - HA ASP 87 far 0 84 0 - 9.5-10.4 H GLU 16 - HA ASP 87 far 0 73 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 10964 from cnoeabs.peaks (4.60, 2.50, 40.10 ppm; 4.45 A): 2 out of 7 assignments used, quality = 0.92: HB THR 34 + HB2 ASP 36 OK 87 96 95 96 4.4-6.0 8794/3.6=73, 8822/4.0=50...(7) HB THR 34 + HB3 ASP 36 OK 41 95 45 95 4.1-6.6 8794/3.6=73, 8822/4.0=50...(7) HA THR 84 - HB2 ASP 87 far 0 93 0 - 8.8-10.8 HA HIS 105 - HB2 ASP 87 far 0 100 0 - 8.9-23.9 HA HIS 105 - HB3 ASP 87 far 0 100 0 - 9.0-22.8 HA THR 84 - HB2 ASP 61 far 0 62 0 - 9.1-12.3 HA THR 84 - HB3 ASP 87 far 0 93 0 - 10.0-11.2 Violated in 9 structures by 0.10 A. Peak 10965 from cnoeabs.peaks (1.98, 2.50, 40.10 ppm; 4.47 A): 7 out of 13 assignments used, quality = 0.92: HB2 GLU 37 + HB2 ASP 36 OK 52 95 60 91 4.5-7.4 6572/4.0=65, 3.0/8833=29...(10) HB2 GLU 62 + HB2 ASP 61 OK 35 45 90 88 4.7-6.3 4.0/7003=61...(8) HB2 GLU 35 + HB3 ASP 36 OK 30 77 45 86 5.2-7.2 6558/3.6=61...(8) HB2 GLU 35 + HB2 ASP 36 OK 24 78 35 86 4.5-6.5 6558/3.6=61...(8) HG3 GLU 88 + HB2 ASP 87 OK 23 59 55 70 4.3-8.3 4.9/3856=25...(10) HG3 GLU 88 + HB3 ASP 87 OK 22 59 55 69 5.2-7.7 4.9/3856=25...(9) HB2 GLU 37 + HB3 ASP 36 OK 21 95 25 90 5.2-7.4 6572/4.0=65, 3.0/8833=29...(9) HB3 GLU 17 - HB2 ASP 87 far 0 87 0 - 6.2-9.3 HB3 GLU 17 - HB3 ASP 87 far 0 87 0 - 6.4-9.3 QE MET 74 - HB3 ASP 36 far 0 85 0 - 6.7-9.2 QE MET 74 - HB2 ASP 36 far 0 86 0 - 7.3-9.3 HB3 LYS 94 - HB3 ASP 87 far 0 57 0 - 8.3-12.0 HB3 LYS 94 - HB2 ASP 87 far 0 57 0 - 9.3-12.6 Violated in 1 structures by 0.01 A. Peak 10967 from cnoeabs.peaks (2.11, 4.22, 57.31 ppm; 4.13 A): 3 out of 9 assignments used, quality = 1.00: HB3 PRO 86 + HA ASP 87 OK 99 100 100 99 3.9-4.0 4.9=58, ~7380=34...(25) HB2 PRO 86 + HA ASP 87 OK 97 99 100 98 5.5-5.5 4.9=58, ~7380=34...(23) HG2 GLU 88 + HA ASP 87 OK 52 71 90 81 5.1-7.2 3886/3.6=36...(12) HB3 GLU 88 - HA ASP 87 far 0 75 0 - 5.9-6.2 QE MET 21 - HA ASP 87 far 0 99 0 - 6.2-7.7 HB VAL 83 - HA ASP 87 far 0 100 0 - 7.2-7.6 HG3 GLU 104 - HA ASP 87 far 0 99 0 - 7.2-22.5 HG2 GLU 104 - HA ASP 87 far 0 59 0 - 8.5-21.5 HB2 GLU 16 - HA ASP 87 far 0 71 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 10968 from cnoeabs.peaks (2.48, 3.66, 58.73 ppm; 4.85 A): 3 out of 6 assignments used, quality = 1.00: HB3 ASP 87 + HA GLU 88 OK 96 96 100 99 3.9-5.5 3856/3.0=41, 3.0/9904=33...(25) HB2 ASP 87 + HA GLU 88 OK 96 96 100 99 4.0-5.6 3861/3.0=41, 3.0/9904=33...(25) HD2 ARG 91 + HA GLU 88 OK 65 100 65 100 4.1-6.6 3.5/4024=71, 1.8/9960=67...(19) HB2 ASP 87 - HA LEU 14 far 0 50 0 - 7.4-9.1 HB3 ASP 87 - HA LEU 14 far 0 50 0 - 7.5-9.4 HD2 ARG 91 - HA LEU 14 far 0 55 0 - 9.2-11.1 Violated in 0 structures by 0.00 A. Peak 10970 from cnoeabs.peaks (3.89, 3.66, 58.73 ppm; 4.45 A): 3 out of 8 assignments used, quality = 1.00: HA ALA 89 + HA GLU 88 OK 97 98 100 100 4.6-4.7 ~7397=39, ~7400=39...(25) HA ARG 91 + HA GLU 88 OK 89 100 90 99 5.7-6.0 3.0/4024=68, 9956=48...(15) HB2 SER 85 + HA GLU 88 OK 88 96 95 96 5.4-6.0 9845/3.0=55, ~9847=40...(14) HB2 SER 85 - HA LEU 14 far 0 50 0 - 6.4-8.3 HA LYS 12 - HA LEU 14 far 0 33 0 - 6.5-6.6 HB3 SER 9 - HA LEU 14 far 0 27 0 - 6.6-8.2 HA ALA 89 - HA LEU 14 far 0 51 0 - 6.8-8.1 HA ARG 91 - HA LEU 14 far 0 55 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10971 from cnoeabs.peaks (4.10, 1.34, 17.35 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.96: HA PRO 86 + QB ALA 89 OK 96 99 100 96 2.5-2.9 9880=50, 9923/7407=45...(22) HA GLU 104 - QB ALA 89 far 0 81 0 - 9.4-16.2 Violated in 0 structures by 0.00 A. Peak 10972 from cnoeabs.peaks (3.66, 3.90, 55.61 ppm; 5.34 A): 2 out of 3 assignments used, quality = 1.00: HA GLU 88 + HA ALA 89 OK 100 100 100 100 4.6-4.7 ~7397=59, ~7400=58...(25) HA LYS 90 + HA ALA 89 OK 98 98 100 100 4.7-4.8 4.8=100 HA LEU 14 - HA ALA 89 far 4 85 5 - 6.8-8.1 Violated in 0 structures by 0.00 A. Peak 10973 from cnoeabs.peaks (1.82, 3.90, 55.61 ppm; 4.92 A): 4 out of 6 assignments used, quality = 1.00: HB2 GLU 88 + HA ALA 89 OK 99 99 100 100 4.7-5.6 7402/3.0=53...(23) HB3 LEU 57 + HA ALA 89 OK 98 100 100 99 3.7-4.6 3.1/10698=45...(21) HB ILE 93 + HA ALA 89 OK 92 97 100 95 5.2-5.9 ~10321=54, 4129/4.8=53...(11) HB2 LYS 90 + HA ALA 89 OK 88 100 95 93 5.6-6.6 7417/3.6=46, 7402/3.0=34...(14) HB3 LYS 90 - HA ALA 89 far 14 95 15 - 6.1-6.6 HB2 GLU 104 - HA ALA 89 far 0 99 0 - 7.2-18.8 Violated in 0 structures by 0.00 A. Peak 10974 from cnoeabs.peaks (2.11, 3.90, 55.61 ppm; 4.65 A): 2 out of 7 assignments used, quality = 1.00: HB VAL 83 + HA ALA 89 OK 100 100 100 100 4.1-4.9 2.1/9824=96, 9821/2.1=85...(21) HB3 GLU 88 + HA ALA 89 OK 79 79 100 100 4.1-4.3 7403/3.0=41...(24) HG2 GLU 88 - HA ALA 89 far 7 68 10 - 4.5-6.4 QE MET 21 - HA ALA 89 far 0 99 0 - 6.6-7.8 HB3 PRO 86 - HA ALA 89 far 0 100 0 - 7.2-7.4 HG3 GLU 104 - HA ALA 89 far 0 99 0 - 7.4-19.5 HB2 PRO 86 - HA ALA 89 far 0 98 0 - 7.5-7.8 Violated in 0 structures by 0.00 A. Peak 10978 from cnoeabs.peaks (8.13, 3.67, 60.35 ppm; 5.43 A): 1 out of 2 assignments used, quality = 1.00: H TRP 92 + HA LYS 90 OK 100 100 100 100 4.3-4.6 7453/3.0=96, 7448/3.6=92...(15) H ASP 87 - HA LYS 90 far 0 100 0 - 7.1-7.5 Violated in 0 structures by 0.00 A. Peak 10979 from cnoeabs.peaks (8.25, 3.67, 60.35 ppm; 5.01 A): 1 out of 5 assignments used, quality = 0.99: H LYS 94 + HA LYS 90 OK 99 99 100 100 4.0-5.0 7501=98, 7507/4129=74...(18) H GLU 23 - HA LYS 90 far 0 90 0 - 7.1-8.4 H SER 97 - HA LYS 90 far 0 61 0 - 8.3-9.0 H GLU 104 - HA LYS 90 far 0 61 0 - 9.4-19.3 H LEU 27 - HA LYS 90 far 0 98 0 - 9.8-11.1 Violated in 0 structures by 0.00 A. Peak 10992 from cnoeabs.peaks (4.04, 1.08, 26.80 ppm; 5.89 A): 3 out of 6 assignments used, quality = 0.91: HA GLU 75 + HG12 ILE 76 OK 59 59 100 100 4.2-4.9 3.5/7256=94, 2.9/9663=33...(12) HA ARG 46 + HG12 ILE 76 OK 57 57 100 100 4.0-5.9 ~9630=70, 4.1/10176=69...(22) HB2 SER 49 + HG12 ILE 76 OK 50 84 60 99 6.3-11.6 9065/3.2=64, ~9071=53...(18) HA LEU 70 - HG12 ILE 76 far 9 88 10 - 7.3-8.7 HA GLU 95 - HG2 ARG 91 far 0 97 0 - 8.6-10.8 HA GLU 17 - HG2 ARG 91 far 0 96 0 - 8.6-11.4 Violated in 0 structures by 0.00 A. Peak 10995 from cnoeabs.peaks (0.73, 3.19, 29.79 ppm; 5.57 A): 5 out of 18 assignments used, quality = 1.00: HG3 ARG 81 + HB3 TRP 92 OK 96 99 100 96 3.5-6.8 1.8/12215=63...(9) QG1 VAL 5 + HB3 TRP 92 OK 93 100 100 93 5.1-6.2 8195/9992=76...(10) HG13 ILE 93 + HB3 TRP 92 OK 93 98 100 95 3.5-6.6 10019/9992=61...(11) QG2 ILE 93 + HB3 TRP 92 OK 86 92 100 94 5.7-6.4 10014/9992=47, ~4127=31...(13) QD1 ILE 93 + HB3 TRP 92 OK 51 59 100 86 4.4-6.1 4162/4.5=35...(10) QD1 LEU 64 - HB2 HIS 106 far 12 81 15 - 3.4-17.5 HG3 ARG 81 - HB2 HIS 106 far 8 82 10 - 6.6-16.7 QD1 LEU 27 - HB3 TRP 92 far 0 61 0 - 7.3-8.3 QD2 LEU 14 - HB3 TRP 92 far 0 90 0 - 7.6-9.2 QD1 LEU 64 - HB3 TRP 92 far 0 99 0 - 8.1-9.2 QD1 ILE 56 - HB3 TRP 92 far 0 88 0 - 8.1-9.6 QG1 VAL 58 - HB2 HIS 106 far 0 81 0 - 8.4-20.7 QG1 VAL 58 - HB3 TRP 92 far 0 99 0 - 8.8-9.5 QG2 VAL 78 - HB2 HIS 106 far 0 82 0 - 8.9-17.8 QD2 LEU 27 - HB3 TRP 92 far 0 100 0 - 9.1-10.3 QG1 VAL 54 - HB3 TRP 92 far 0 75 0 - 9.5-10.4 QD1 ILE 8 - HB3 TRP 92 far 0 91 0 - 9.6-11.7 HG13 ILE 56 - HB3 TRP 92 far 0 96 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 10996 from cnoeabs.peaks (2.41, 0.77, 14.14 ppm; 5.10 A): 2 out of 5 assignments used, quality = 1.00: HG3 MET 21 + QD1 ILE 93 OK 99 99 100 100 2.0-5.0 3.4/10318=75...(35) HB3 MET 21 + QD1 ILE 93 OK 99 99 100 100 2.0-3.9 4.3/10318=64...(38) HG3 GLU 17 - QD1 ILE 93 far 0 91 0 - 6.7-8.4 HB2 ASP 11 - QD1 ILE 93 far 0 87 0 - 9.7-11.4 HG3 GLU 99 - QD1 ILE 93 far 0 77 0 - 9.7-12.0 Violated in 0 structures by 0.00 A. Peak 10997 from cnoeabs.peaks (3.08, 0.77, 14.14 ppm; 5.62 A): 2 out of 8 assignments used, quality = 0.99: HB2 PHE 96 + QD1 ILE 93 OK 92 94 100 98 5.3-6.2 4325/4163=73, ~10031=49...(14) HB2 TRP 92 + QD1 ILE 93 OK 91 92 100 99 4.5-6.0 4.5/4162=74...(13) HD3 ARG 79 - QD1 ILE 93 far 0 100 0 - 8.3-13.0 HD2 ARG 79 - QD1 ILE 93 far 0 99 0 - 8.4-12.6 HB3 HIS 105 - QD1 ILE 93 far 0 96 0 - 9.5-20.2 HB3 ASN 26 - QD1 ILE 93 far 0 97 0 - 9.6-10.9 HD3 ARG 30 - QD1 ILE 93 far 0 100 0 - 9.6-10.9 HB3 HIS 106 - QD1 ILE 93 far 0 82 0 - 10.0-20.4 Violated in 0 structures by 0.00 A. Peak 10998 from cnoeabs.peaks (3.84, 3.54, 66.22 ppm; 5.48 A): 3 out of 7 assignments used, quality = 1.00: HA ALA 22 + HA ILE 93 OK 95 99 100 96 5.4-6.5 10028/3.2=48, ~11002=47...(14) HA SER 97 + HA ILE 93 OK 90 92 100 98 5.8-6.9 3.0/7565=85...(12) HA LYS 94 + HA ILE 93 OK 79 79 100 100 4.8-4.9 3.6/7527=63, ~7507=58...(24) HB3 SER 102 - HA ILE 93 far 4 84 5 - 6.9-16.8 HA2 GLY 101 - HA ILE 93 far 4 79 5 - 6.9-13.3 HA ARG 19 - HA ILE 93 far 0 82 0 - 8.2-10.3 HA2 GLY 100 - HA ILE 93 far 0 79 0 - 8.4-12.2 Violated in 0 structures by 0.00 A. Peak 10999 from cnoeabs.peaks (1.55, 2.04, 30.82 ppm; 5.60 A): 1 out of 15 assignments used, quality = 0.35: HB ILE 7 + HG12 ILE 93 OK 35 87 80 50 6.2-8.0 10196/10198=21...(8) HG3 LYS 90 - HG12 ILE 93 far 6 61 10 - 6.8-8.6 HB2 LEU 3 - HG12 ILE 93 far 5 100 5 - 7.1-10.1 HB3 LEU 103 - HG12 ILE 93 far 4 88 5 - 7.0-16.5 HG2 ARG 19 - HG12 ILE 93 far 3 59 5 - 6.9-10.0 HG LEU 103 - HG12 ILE 93 far 0 65 0 - 7.3-17.5 HG LEU 6 - HG12 ILE 93 far 0 91 0 - 8.0-10.1 HB2 LEU 103 - HG12 ILE 93 far 0 59 0 - 8.1-16.5 HG2 ARG 79 - HG12 ILE 93 far 0 98 0 - 8.3-11.5 HG3 ARG 79 - HG12 ILE 93 far 0 99 0 - 8.8-11.5 HG12 ILE 56 - HG12 ILE 93 far 0 96 0 - 8.8-10.8 HG3 ARG 30 - HG12 ILE 93 far 0 96 0 - 8.9-11.3 HB3 GLU 28 - HG12 ILE 93 far 0 95 0 - 9.3-11.8 HB2 LEU 14 - HG12 ILE 93 far 0 87 0 - 9.4-11.8 HG3 LYS 24 - HG12 ILE 93 far 0 61 0 - 9.6-12.1 Violated in 20 structures by 1.31 A. Peak 11000 from cnoeabs.peaks (1.57, 0.75, 17.00 ppm; 4.99 A): 6 out of 15 assignments used, quality = 1.00: HG LEU 27 + QG2 ILE 93 OK 82 84 100 98 3.5-5.1 3.0/10326=35, ~10140=32...(30) HD3 LYS 94 + QG2 ILE 93 OK 81 84 100 97 3.3-6.0 4.7/12249=45...(24) HB3 LEU 29 + QG2 ILE 93 OK 78 87 100 90 3.9-5.7 1.8/10496=21, ~10327=18...(24) HG3 LYS 90 + QG2 ILE 93 OK 58 98 65 91 5.5-7.2 4.0/10027=56...(19) HB2 LEU 3 + QG2 ILE 93 OK 33 93 80 44 5.0-6.8 8065/10031=21...(5) HG2 LYS 24 + QG2 ILE 93 OK 32 97 60 56 5.6-7.7 6385/8593=11...(9) HG2 ARG 19 - QG2 ILE 93 far 0 98 0 - 6.6-8.3 HG LEU 103 - QG2 ILE 93 far 0 99 0 - 7.2-14.8 HB2 ARG 79 - QG2 ILE 93 far 0 81 0 - 7.8-11.3 HB2 LEU 103 - QG2 ILE 93 far 0 98 0 - 7.8-14.4 HB3 GLU 28 - QG2 ILE 93 far 0 99 0 - 8.0-8.8 HG2 ARG 79 - QG2 ILE 93 far 0 61 0 - 8.3-10.8 HG3 ARG 79 - QG2 ILE 93 far 0 63 0 - 8.4-11.2 HD3 LYS 53 - QG2 ILE 93 far 0 92 0 - 8.6-12.2 HB2 ARG 30 - QG2 ILE 93 far 0 75 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 11001 from cnoeabs.peaks (7.70, 0.77, 14.14 ppm; 5.75 A): 2 out of 3 assignments used, quality = 1.00: H MET 21 + QD1 ILE 93 OK 98 98 100 100 3.5-4.5 6345/11004=83...(28) H ALA 25 + QD1 ILE 93 OK 95 98 100 98 5.9-7.1 8604/11004=60...(14) H SER 85 - QD1 ILE 93 far 0 99 0 - 8.3-9.5 Violated in 0 structures by 0.00 A. Peak 11002 from cnoeabs.peaks (8.82, 0.75, 17.00 ppm; 4.66 A): 1 out of 2 assignments used, quality = 1.00: H ALA 22 + QG2 ILE 93 OK 100 100 100 100 2.5-3.7 6351/10319=68...(31) H ILE 8 - QG2 ILE 93 far 0 91 0 - 10.0-10.5 Violated in 0 structures by 0.00 A. Peak 11003 from cnoeabs.peaks (8.65, 0.77, 14.14 ppm; 6.00 A): 2 out of 2 assignments used, quality = 1.00: H ALA 18 + QD1 ILE 93 OK 100 100 100 100 3.9-5.3 2.9/10020=100...(24) H LEU 55 + QD1 ILE 93 OK 51 94 65 83 6.0-7.8 4.8/10021=78...(4) Violated in 0 structures by 0.00 A. Peak 11004 from cnoeabs.peaks (8.81, 0.77, 14.14 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.99: H ALA 22 + QD1 ILE 93 OK 99 99 100 100 2.5-3.6 8569/10020=61...(33) H ILE 8 - QD1 ILE 93 far 0 99 0 - 7.3-8.0 Violated in 0 structures by 0.00 A. Peak 11005 from cnoeabs.peaks (8.91, 0.77, 14.14 ppm; 5.54 A): 3 out of 3 assignments used, quality = 1.00: H ARG 19 + QD1 ILE 93 OK 98 99 100 100 4.0-5.3 6283/10020=96...(16) H VAL 5 + QD1 ILE 93 OK 53 100 100 54 5.9-7.0 8186/10327=20...(8) H LEU 57 + QD1 ILE 93 OK 38 94 100 41 5.6-6.5 3.9/4164=15, 4.9/2630=14...(6) Violated in 0 structures by 0.00 A. Peak 11008 from cnoeabs.peaks (4.60, 3.87, 59.89 ppm; 5.93 A): 1 out of 2 assignments used, quality = 0.69: HA ASP 11 + HA LYS 12 OK 69 69 100 100 4.5-4.6 369/2.9=100, 8390/3.6=73...(15) HA ILE 8 - HA LYS 12 far 0 63 0 - 8.4-9.2 Violated in 0 structures by 0.00 A. Peak 11009 from cnoeabs.peaks (0.82, 1.62, 29.36 ppm; 3.77 A): 4 out of 31 assignments used, quality = 0.97: QD1 LEU 70 + HD3 LYS 39 OK 74 88 100 84 2.6-4.7 10569/3.0=33...(19) QD2 LEU 70 + HD3 LYS 39 OK 67 84 95 84 2.7-5.7 10822/4.9=31, ~10569=21...(19) QD1 LEU 70 + HD2 LYS 39 OK 48 57 100 85 1.9-4.3 10569/3.0=33...(20) QD2 LEU 70 + HD2 LYS 39 OK 31 54 70 84 2.1-6.0 10822/4.9=31, ~10569=21...(20) QD2 LEU 103 - HD3 LYS 68 far 0 57 0 - 5.4-16.9 QD2 LEU 38 - HD2 LYS 39 far 0 57 0 - 5.6-7.7 QD2 LEU 38 - HD3 LYS 39 far 0 88 0 - 5.9-8.2 QD2 LEU 103 - HD2 LYS 68 far 0 55 0 - 6.2-17.0 QD1 ILE 76 - HD3 LYS 39 far 0 78 0 - 6.4-8.1 QD1 ILE 76 - HD2 LYS 39 far 0 48 0 - 6.9-8.9 QD1 LEU 70 - HD2 LYS 68 far 0 56 0 - 7.3-10.0 QD1 LEU 57 - HD3 LYS 94 far 0 66 0 - 7.5-10.2 QD2 LEU 70 - HD2 LYS 68 far 0 52 0 - 7.6-8.8 QD2 LEU 57 - HD3 LYS 94 far 0 53 0 - 7.8-10.0 QD1 LEU 57 - HD2 LYS 94 far 0 99 0 - 7.9-10.9 QD2 LEU 103 - HD3 LYS 94 far 0 67 0 - 7.9-15.3 QD2 LEU 70 - HD3 LYS 68 far 0 55 0 - 7.9-9.3 QD2 LEU 38 - HD3 LYS 68 far 0 58 0 - 8.1-10.6 QD2 LEU 57 - HD2 LYS 94 far 0 87 0 - 8.2-10.4 QG2 VAL 32 - HD3 LYS 39 far 0 84 0 - 8.3-10.0 QG2 VAL 32 - HD2 LYS 39 far 0 54 0 - 8.3-9.7 QD1 LEU 57 - HD3 LYS 68 far 0 57 0 - 8.4-10.5 QD1 LEU 70 - HD3 LYS 68 far 0 58 0 - 8.5-9.8 QD2 LEU 38 - HD2 LYS 68 far 0 56 0 - 8.7-10.4 QD2 LEU 103 - HD2 LYS 94 far 0 100 0 - 8.7-15.4 QD2 LEU 57 - HD3 LYS 68 far 0 45 0 - 9.0-10.7 QD1 ILE 76 - HD2 LYS 68 far 0 47 0 - 9.3-12.0 QG2 ILE 8 - HD2 LYS 39 far 0 34 0 - 9.5-11.4 QD1 ILE 76 - HD3 LYS 68 far 0 50 0 - 9.6-11.8 QG2 ILE 8 - HD3 LYS 68 far 0 35 0 - 9.7-11.8 QD1 LEU 57 - HD2 LYS 68 far 0 54 0 - 9.8-12.0 Violated in 0 structures by 0.00 A. Peak 11010 from cnoeabs.peaks (0.75, 1.62, 29.36 ppm; 3.99 A): 5 out of 42 assignments used, quality = 0.99: QG2 ILE 93 + HD2 LYS 94 OK 87 100 100 87 4.1-4.8 12249/4.7=29...(19) QD1 LEU 64 + HD3 LYS 68 OK 55 55 100 99 3.4-3.9 2.1/10242=52, 10243=32...(32) QG2 ILE 93 + HD3 LYS 94 OK 52 68 90 84 3.3-6.0 12249/4.7=29...(21) QD1 LEU 64 + HD2 LYS 68 OK 51 53 100 97 4.6-5.4 ~10242=36, 10243/1.8=32...(34) QD1 ILE 93 + HD2 LYS 94 OK 22 95 35 66 5.0-7.1 10318/12250=18...(19) QD1 ILE 93 - HD3 LYS 94 poor 15 60 40 62 4.7-7.1 10318/10443=14...(19) QD1 LEU 27 - HD2 LYS 94 far 14 96 15 - 4.6-7.4 QG2 VAL 78 - HD3 LYS 68 poor 9 37 25 - 4.2-6.8 QG2 VAL 78 - HD2 LYS 68 poor 7 35 20 - 4.7-7.5 QD1 LEU 27 - HD3 LYS 94 far 6 61 10 - 4.5-7.8 HG13 ILE 93 - HD3 LYS 94 far 0 66 0 - 5.9-8.6 QD2 LEU 27 - HD2 LYS 94 far 0 88 0 - 5.9-9.6 HG13 ILE 93 - HD2 LYS 94 far 0 99 0 - 6.3-8.4 QD2 LEU 27 - HD3 LYS 94 far 0 54 0 - 6.4-9.9 QG1 VAL 58 - HD3 LYS 68 far 0 36 0 - 6.4-8.1 HG13 ILE 56 - HD3 LYS 68 far 0 29 0 - 6.5-10.5 QG1 VAL 78 - HD3 LYS 68 far 0 57 0 - 6.7-9.1 QG1 VAL 78 - HD2 LYS 68 far 0 55 0 - 6.9-9.7 QD2 LEU 42 - HD2 LYS 39 far 0 52 0 - 6.9-9.0 QD2 LEU 42 - HD3 LYS 39 far 0 83 0 - 7.0-8.7 QG1 VAL 5 - HD3 LYS 94 far 0 50 0 - 7.3-10.1 QD2 LEU 42 - HD3 LYS 68 far 0 54 0 - 7.4-10.1 HG13 ILE 56 - HD2 LYS 68 far 0 28 0 - 7.5-11.3 QG1 VAL 5 - HD2 LYS 94 far 0 84 0 - 7.6-8.9 QD2 LEU 42 - HD2 LYS 68 far 0 51 0 - 7.6-10.7 QG1 VAL 58 - HD2 LYS 68 far 0 34 0 - 7.6-8.7 QD1 LEU 6 - HD2 LYS 39 far 0 49 0 - 8.0-11.2 HG3 ARG 81 - HD3 LYS 68 far 0 54 0 - 8.0-10.9 QD1 LEU 6 - HD3 LYS 39 far 0 79 0 - 8.1-11.1 QG1 VAL 54 - HD3 LYS 68 far 0 56 0 - 8.7-11.2 QG1 VAL 78 - HD2 LYS 39 far 0 56 0 - 8.9-11.0 QG1 VAL 78 - HD3 LYS 39 far 0 87 0 - 9.0-10.3 QG2 VAL 78 - HD2 LYS 39 far 0 36 0 - 9.1-11.4 QD1 LEU 6 - HD3 LYS 68 far 0 50 0 - 9.2-12.8 QG1 VAL 54 - HD2 LYS 68 far 0 54 0 - 9.4-12.0 QD1 LEU 6 - HD2 LYS 68 far 0 48 0 - 9.4-13.9 QG1 VAL 54 - HD2 LYS 39 far 0 55 0 - 9.5-12.0 QG2 ILE 8 - HD2 LYS 39 far 0 33 0 - 9.5-11.4 QG2 VAL 78 - HD3 LYS 39 far 0 61 0 - 9.6-10.7 QG2 ILE 8 - HD3 LYS 68 far 0 34 0 - 9.7-11.8 QG1 VAL 54 - HD3 LYS 39 far 0 86 0 - 9.7-11.8 HG3 ARG 81 - HD2 LYS 68 far 0 52 0 - 9.8-12.6 Violated in 0 structures by 0.00 A. Peak 11012 from cnoeabs.peaks (1.33, 4.02, 59.37 ppm; 4.65 A): 2 out of 11 assignments used, quality = 0.99: HG2 LYS 94 + HA GLU 95 OK 99 99 100 100 4.0-5.7 7532/3.0=70...(17) HG3 LYS 68 + HA GLU 69 OK 25 29 85 99 3.2-6.4 3033/4.9=47...(26) QB ALA 25 - HA GLU 95 far 0 99 0 - 6.5-7.4 QB ALA 67 - HA GLU 69 far 0 35 0 - 6.5-6.9 HG LEU 14 - HA GLU 16 far 0 39 0 - 6.7-7.5 QB ALA 89 - HA GLU 16 far 0 46 0 - 6.9-7.6 QB ALA 25 - HA LYS 20 far 0 56 0 - 6.9-7.4 HG2 LYS 39 - HA GLU 69 far 0 32 0 - 8.4-12.2 QB ALA 89 - HA LYS 20 far 0 56 0 - 8.8-9.7 HB3 LEU 27 - HA LYS 20 far 0 53 0 - 9.3-10.4 HB3 LEU 42 - HA GLU 69 far 0 25 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 11013 from cnoeabs.peaks (0.68, 2.27, 36.23 ppm; 4.61 A): 4 out of 25 assignments used, quality = 0.88: QG2 VAL 58 + HG2 GLU 63 OK 55 55 100 100 2.9-4.6 10220/3.0=69, ~10704=50...(22) QD1 ILE 8 + HG2 GLU 63 OK 39 41 100 94 4.5-5.8 8308/3.0=44, 9462/3.0=27...(16) QG2 VAL 58 + HG2 GLU 62 OK 37 54 95 73 5.4-6.2 2.1/10716=28...(10) QG1 VAL 58 + HG2 GLU 63 OK 29 29 100 100 3.7-4.6 ~10700=47, ~10233=46...(24) QG1 VAL 58 - HG2 GLU 62 poor 17 28 90 67 5.7-6.2 2.1/10718=20, 10716=20...(13) QD1 LEU 14 - HG2 GLU 17 poor 16 53 30 - 5.4-7.0 QD1 LEU 29 - HG2 GLU 23 poor 12 77 35 43 4.6-7.7 10503/6367=24, ~10464=14...(6) QD1 ILE 8 - HG2 GLU 62 poor 10 40 55 48 5.6-7.2 2670/10716=10...(10) QD2 LEU 14 - HG2 GLU 17 far 4 40 10 - 5.7-7.2 QG2 VAL 58 - HG3 GLU 62 far 3 54 5 - 6.1-6.9 QG1 VAL 58 - HG3 GLU 62 far 1 28 5 - 6.1-6.7 QD2 LEU 14 - HG3 GLU 16 far 0 37 0 - 6.1-7.4 QD1 ILE 8 - HG3 GLU 62 far 0 40 0 - 6.2-8.0 QD1 LEU 29 - HG3 GLU 16 far 0 32 0 - 6.3-9.7 QD1 LEU 14 - HG3 GLU 16 far 0 49 0 - 7.2-8.6 QD2 LEU 6 - HG2 GLU 23 far 0 100 0 - 7.6-11.7 QD1 LEU 29 - HG2 GLU 17 far 0 35 0 - 7.7-10.1 QD1 ILE 56 - HG2 GLU 63 far 0 43 0 - 7.9-10.8 QD2 LEU 14 - HG2 GLU 63 far 0 42 0 - 8.4-9.5 QD1 ILE 56 - HG2 GLU 62 far 0 42 0 - 9.0-12.2 QD1 LEU 14 - HG2 GLU 63 far 0 56 0 - 9.0-10.3 QD1 LEU 29 - HG2 GLU 95 far 0 61 0 - 9.3-15.0 QD1 ILE 56 - HG3 GLU 62 far 0 42 0 - 9.4-12.0 HG13 ILE 56 - HG2 GLU 63 far 0 36 0 - 9.9-12.1 QD1 LEU 14 - HG2 GLU 95 far 0 86 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 11014 from cnoeabs.peaks (3.87, 4.02, 59.37 ppm; 3.80 A): 1 out of 12 assignments used, quality = 0.96: HA LYS 94 + HA GLU 95 OK 96 100 100 96 4.7-4.8 3.0/11006=30...(15) HA LYS 12 - HA GLU 16 far 0 45 0 - 5.7-6.2 HB2 SER 102 - HA GLU 95 far 0 81 0 - 5.9-13.9 HA ALA 67 - HA GLU 69 far 0 33 0 - 6.3-6.8 HA ALA 22 - HA LYS 20 far 0 28 0 - 6.4-6.8 HA ARG 91 - HA GLU 95 far 0 90 0 - 6.4-7.9 HA ALA 71 - HA GLU 69 far 0 29 0 - 6.6-7.1 HA2 GLY 101 - HA GLU 95 far 0 100 0 - 7.4-11.4 HA2 GLY 100 - HA GLU 95 far 0 100 0 - 7.5-9.0 HA3 GLY 101 - HA GLU 95 far 0 82 0 - 7.7-11.7 HA GLU 35 - HA GLU 69 far 0 29 0 - 9.5-10.4 HA ALA 22 - HA GLU 95 far 0 59 0 - 9.5-10.8 Violated in 20 structures by 0.99 A. Peak 11015 from cnoeabs.peaks (7.42, 2.52, 36.47 ppm; 5.96 A): 0 out of 2 assignments used, quality = 0.00: HE3 TRP 92 - HG3 GLU 95 poor 20 99 20 - 6.3-10.5 H ALA 89 - HG3 GLU 95 far 0 100 0 - 9.6-12.0 Violated in 20 structures by 2.62 A. Peak 11016 from cnoeabs.peaks (6.94, 4.51, 59.61 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.94: QE PHE 96 + HA PHE 96 OK 94 96 100 99 4.3-4.8 2.2/4318=90, 5.6=45...(8) Violated in 19 structures by 0.29 A. Peak 11022 from cnoeabs.peaks (3.81, 4.19, 57.07 ppm; 5.40 A): 1 out of 3 assignments used, quality = 1.00: HA SER 97 + HA GLU 98 OK 100 100 100 100 4.6-4.8 7601/3.6=66...(15) HB3 SER 102 - HA GLU 98 far 0 100 0 - 7.9-12.6 HA ALA 22 - HA GLU 98 far 0 98 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 11023 from cnoeabs.peaks (4.00, 4.19, 57.07 ppm; 4.39 A): 2 out of 2 assignments used, quality = 0.88: HB3 SER 97 + HA GLU 98 OK 83 97 100 85 3.9-5.6 3.0/11022=46...(7) HA GLU 95 + HA GLU 98 OK 34 85 60 67 5.6-6.3 7583/2.9=37, 7598/3.6=22...(4) Violated in 3 structures by 0.09 A. Peak 11024 from cnoeabs.peaks (2.96, 2.24, 36.00 ppm; 4.88 A): 2 out of 12 assignments used, quality = 0.79: HE3 LYS 90 + HG2 GLU 17 OK 67 85 90 87 1.9-7.0 3.0/12233=26, ~12236=19...(20) HE2 LYS 13 + HG2 GLU 17 OK 35 100 80 44 4.8-8.2 5.0/753=11, 9045/1.8=10...(8) HE3 LYS 13 - HG2 GLU 17 poor 19 100 45 43 4.7-8.0 5.0/753=11, 9045/1.8=9...(8) HG2 MET 21 - HG2 GLU 17 far 0 91 0 - 6.4-10.3 HE2 LYS 24 - HG2 GLU 23 far 0 54 0 - 6.7-11.1 HB3 ASP 11 - HG2 GLU 17 far 0 71 0 - 6.8-8.5 HE3 LYS 24 - HG2 GLU 98 far 0 60 0 - 7.2-12.1 HG2 MET 21 - HG2 GLU 23 far 0 44 0 - 7.3-10.3 HE3 LYS 24 - HG2 GLU 23 far 0 54 0 - 7.9-11.3 HE2 LYS 24 - HG2 GLU 98 far 0 60 0 - 8.4-12.8 HE3 LYS 12 - HG2 GLU 17 far 0 100 0 - 9.3-13.3 HB2 SER 9 - HG2 GLU 17 far 0 77 0 - 9.5-11.9 Violated in 6 structures by 0.15 A. Peak 11025 from cnoeabs.peaks (4.51, 2.22, 36.00 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.93: HA PHE 96 + HG2 GLU 99 OK 93 100 100 93 2.0-5.2 7599/4.7=56, 4324/3.0=36...(8) HA PHE 96 - HG2 GLU 98 far 0 99 0 - 6.9-8.3 Violated in 2 structures by 0.00 A. Peak 11026 from cnoeabs.peaks (8.16, 4.19, 57.07 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.87: H GLY 100 + HA GLU 98 OK 87 90 100 98 3.8-5.2 7613/3.6=61, 7618=55...(11) Violated in 4 structures by 0.05 A. Peak 11027 from cnoeabs.peaks (8.55, 2.43, 36.00 ppm; 5.23 A): 1 out of 3 assignments used, quality = 0.79: H GLN 50 + HG3 GLU 48 OK 79 84 95 99 3.6-8.3 12314/2228=75...(14) H ASN 51 - HG3 GLU 48 poor 15 75 20 - 5.4-8.8 H LYS 12 - HG3 GLU 17 far 0 99 0 - 8.4-9.6 Violated in 4 structures by 0.23 A. Peak 11028 from cnoeabs.peaks (1.83, 3.87, 45.30 ppm; 6.50 A): 3 out of 8 assignments used, quality = 0.89: HB2 LYS 53 + HA2 GLY 100 OK 62 98 100 63 4.0-7.7 8115/10094=40...(7) HB2 LYS 53 + HA2 GLY 101 OK 59 78 100 75 3.2-7.8 8115/10094=31, ~10616=18...(12) HB2 LYS 53 + HA3 GLY 101 OK 31 44 100 70 3.7-6.3 8115/12053=27...(12) HB2 GLU 104 - HA2 GLY 101 far 4 70 5 - 7.5-12.6 HB2 GLU 104 - HA3 GLY 101 far 0 39 0 - 8.3-11.6 HB2 GLU 104 - HA2 GLY 100 far 0 92 0 - 9.7-14.3 HB ILE 93 - HA2 GLY 101 far 0 63 0 - 9.8-15.5 HB VAL 5 - HA3 GLY 101 far 0 28 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 11029 from cnoeabs.peaks (8.26, 3.89, 45.04 ppm; 5.74 A): 2 out of 6 assignments used, quality = 0.84: H LEU 103 + HA3 GLY 101 OK 74 87 100 85 3.6-6.6 7644/3.6=67, 3.6/4453=26...(8) H LEU 103 + HA2 GLY 101 OK 40 50 100 79 3.5-7.1 7644/3.6=67, 7646/1.8=14...(5) H LEU 103 - HA2 GLY 100 far 4 36 10 - 4.5-10.1 H LYS 94 - HA2 GLY 101 far 0 65 0 - 9.2-14.3 H LYS 94 - HA3 GLY 101 far 0 100 0 - 9.7-14.7 H LYS 94 - HA2 GLY 100 far 0 47 0 - 10.0-12.6 Violated in 3 structures by 0.03 A. Peak 11033 from cnoeabs.peaks (1.46, 1.30, 27.70 ppm; 4.10 A): 3 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + HG LEU 3 OK 100 100 100 100 3.0-4.9 3.0/9187=41, ~8114=41...(36) HG3 LYS 53 + HG LEU 3 OK 98 98 100 100 2.8-5.5 3.0/9187=41, ~8114=41...(33) HD2 LYS 53 + HG LEU 3 OK 25 100 25 99 5.3-6.6 9192/2.1=71, ~9193=40...(23) HG13 ILE 52 - HG LEU 3 poor 16 100 30 52 5.1-9.1 3.8/8104=27, 3.0/8118=11...(9) HB2 LEU 27 - HG LEU 3 far 0 100 0 - 7.1-8.5 QB ALA 22 - HG LEU 3 far 0 91 0 - 7.9-8.9 Violated in 1 structures by 0.00 A. Peak 11034 from cnoeabs.peaks (1.47, 5.13, 53.57 ppm; 5.01 A): 4 out of 6 assignments used, quality = 1.00: HG2 LYS 53 + HA LEU 3 OK 97 100 100 97 3.5-4.8 3.0/9203=38, 9191/97=36...(17) HG3 LYS 53 + HA LEU 3 OK 96 100 100 96 3.6-4.8 3.0/9203=38, 9191/97=36...(15) HD2 LYS 53 + HA LEU 3 OK 96 100 100 97 5.2-6.5 9192/3.9=69, 3.6/9203=34...(13) HG13 ILE 52 + HA LEU 3 OK 64 99 80 81 3.3-7.6 3.8/8105=40, 3.2/9162=31...(12) HB2 LEU 27 - HA LEU 3 poor 20 99 20 - 6.2-7.8 QB ALA 22 - HA LEU 3 far 0 77 0 - 7.1-8.0 Violated in 0 structures by 0.00 A. Peak 11063 from cnoeabs.peaks (4.41, 1.70, 28.93 ppm; 4.09 A): 6 out of 22 assignments used, quality = 0.99: HA ALA 25 + HD3 LYS 24 OK 72 99 75 97 3.0-6.5 10472/3.0=28, ~6402=25...(22) HA ALA 25 + HD2 LYS 24 OK 71 98 75 97 2.8-6.5 10472/3.0=28, ~6402=25...(22) HA VAL 32 + HD3 LYS 33 OK 48 54 100 90 2.8-4.6 10145/3.0=53...(11) HA VAL 32 + HD2 LYS 33 OK 46 54 95 90 3.6-5.8 10145/3.0=53...(11) HA MET 21 + HD2 LYS 24 OK 39 99 45 87 4.5-7.2 954/10444=27, 956/6.3=24...(10) HA MET 21 + HD3 LYS 24 OK 26 99 30 88 3.9-6.9 954/10444=32, 956/6.3=24...(10) HA MET 21 - HD2 LYS 20 far 0 53 0 - 5.7-7.4 HA HIS 106 - HB3 ARG 91 far 0 51 0 - 5.7-22.0 HA MET 21 - HD3 LYS 20 far 0 46 0 - 5.9-7.4 HA SER 9 - HD2 LYS 33 far 0 44 0 - 6.3-9.0 HA SER 9 - HD3 LYS 33 far 0 44 0 - 6.3-9.7 HA GLU 48 - HD3 LYS 47 far 0 40 0 - 6.5-8.0 HA GLU 48 - HD2 LYS 47 far 0 39 0 - 6.8-8.1 HB THR 84 - HD2 LYS 13 far 0 73 0 - 7.7-13.0 HB THR 84 - HD3 LYS 13 far 0 73 0 - 7.7-11.4 HA SER 9 - HD2 LYS 13 far 0 91 0 - 8.5-10.6 HA SER 9 - HD3 LYS 13 far 0 91 0 - 8.6-10.2 HA SER 9 - HD2 LYS 12 far 0 84 0 - 8.8-10.7 HA MET 74 - HD2 LYS 47 far 0 46 0 - 9.0-13.5 HA SER 9 - HD3 LYS 12 far 0 84 0 - 9.0-12.1 HA MET 21 - HB3 ARG 91 far 0 51 0 - 9.5-10.9 HA MET 74 - HD3 LYS 47 far 0 48 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Peak 11065 from cnoeabs.peaks (8.50, 4.24, 69.49 ppm; 3.26 A): 2 out of 3 assignments used, quality = 0.99: * H THR 31 + HB THR 31 OK 94 100 100 94 3.5-3.8 6500=62, 6501/2.1=61...(9) H VAL 32 + HB THR 31 OK 91 96 100 95 2.5-3.5 6506=66, 6505/3.0=52...(11) H ILE 7 - HB THR 31 far 0 61 0 - 4.8-5.8 Violated in 0 structures by 0.00 A. Peak 11067 from cnoeabs.peaks (1.38, 2.26, 36.95 ppm; 5.77 A): 0 out of 10 assignments used, quality = 0.00: HG12 ILE 8 - HG2 GLU 37 poor 19 95 20 - 6.6-10.6 HG3 LYS 40 - HG2 GLU 37 far 14 91 15 - 6.6-9.9 HG2 LYS 39 - HG2 GLU 37 poor 7 68 45 22 6.4-10.6 1800/8841=9, 9469/5.0=6...(5) HB3 ARG 30 - HG2 GLU 37 far 0 99 0 - 8.7-10.9 HG12 ILE 8 - HG2 GLU 62 far 0 64 0 - 8.7-10.2 HB2 LYS 82 - HG2 GLU 62 far 0 39 0 - 8.8-10.5 HB2 LEU 70 - HG2 GLU 37 far 0 99 0 - 9.2-11.1 HB2 LYS 82 - HG3 GLU 62 far 0 39 0 - 9.3-11.2 HG12 ILE 8 - HG3 GLU 62 far 0 64 0 - 9.3-10.3 HB2 LEU 70 - HG3 GLU 62 far 0 69 0 - 10.0-13.6 Violated in 15 structures by 0.31 A. Peak 11069 from cnoeabs.peaks (1.72, 3.03, 39.70 ppm; 4.31 A): 0 out of 0 assignments used, quality = 0.00: Peak 11070 from cnoeabs.peaks (0.88, 0.65, 22.12 ppm; 3.48 A): 1 out of 5 assignments used, quality = 0.94: QG2 ILE 76 + QG2 VAL 54 OK 94 100 100 94 2.0-2.9 9233/2.1=36...(28) QD1 LEU 2 - QG2 VAL 54 far 10 100 10 - 4.9-6.4 QD1 LEU 38 - QG2 VAL 54 far 0 91 0 - 6.0-8.0 QD1 LEU 103 - QG2 VAL 54 far 0 95 0 - 7.7-12.5 QG1 VAL 32 - QG2 VAL 54 far 0 84 0 - 8.1-9.3 Violated in 0 structures by 0.00 A. Peak 11071 from cnoeabs.peaks (5.23, 0.60, 16.63 ppm; 6.03 A): 2 out of 2 assignments used, quality = 0.94: HA VAL 58 + QG2 ILE 56 OK 87 87 100 100 4.0-4.6 3.0/9324=79...(20) HA VAL 78 + QG2 ILE 56 OK 52 63 85 97 6.7-7.8 ~9686=47, 9300/4.0=35...(19) Violated in 0 structures by 0.00 A. Peak 11072 from cnoeabs.peaks (2.17, 3.19, 43.64 ppm; 5.25 A): 1 out of 6 assignments used, quality = 0.93: HG2 GLU 43 + HD3 ARG 46 OK 93 97 100 96 4.5-4.8 3.7/10171=75...(8) HG3 GLU 75 - HD3 ARG 46 far 15 100 15 - 5.6-8.8 HB2 GLU 75 - HD3 ARG 46 poor 9 59 60 25 5.6-7.5 10865/9013=16, ~10175=9 HG2 GLU 75 - HD3 ARG 46 far 5 100 5 - 6.5-10.1 HB3 GLU 75 - HD3 ARG 46 far 0 96 0 - 7.2-8.9 HB3 GLN 50 - HD3 ARG 46 far 0 100 0 - 7.9-14.3 Violated in 0 structures by 0.00 A. Peak 11073 from cnoeabs.peaks (6.98, 4.13, 56.52 ppm; 5.39 A): 0 out of 2 assignments used, quality = 0.00: QE PHE 96 - HA GLU 104 far 4 84 5 - 6.4-11.2 HE ARG 91 - HA GLU 104 far 0 98 0 - 7.8-21.9 Violated in 20 structures by 3.93 A. Peak 11076 from cnoeabs.peaks (0.86, 4.13, 56.52 ppm; 5.79 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 103 + HA GLU 104 OK 97 100 100 98 3.4-5.8 ~7659=53, 7662/3.0=53...(8) QD2 LEU 103 + HA GLU 104 OK 73 75 100 97 3.5-6.2 ~7659=53, 7661/3.0=41...(7) QD2 LEU 64 - HA GLU 104 far 5 100 5 - 6.7-14.5 QD1 LEU 57 - HA GLU 104 far 4 77 5 - 5.7-12.4 Violated in 0 structures by 0.00 A. Peak 11077 from cnoeabs.peaks (2.09, 1.29, 25.29 ppm; 4.64 A): 4 out of 8 assignments used, quality = 0.99: QE MET 21 + HG2 LYS 90 OK 89 99 90 99 4.1-6.6 8543/3915=65...(29) HB3 PRO 86 + HG2 LYS 90 OK 81 96 90 94 2.8-6.4 4.9/9911=44...(25) HB2 PRO 86 + HG2 LYS 90 OK 57 77 80 93 4.2-7.9 4.9/9911=44...(24) HB2 MET 21 + HG2 LYS 90 OK 39 59 70 94 3.5-6.6 3.0/3955=32...(27) HB3 GLU 88 - HG2 LYS 90 far 10 98 10 - 6.1-8.5 HB VAL 83 - HG2 LYS 90 far 0 88 0 - 7.1-9.7 HB2 GLU 16 - HG2 LYS 90 far 0 97 0 - 7.3-10.5 HG3 GLU 104 - HG2 LYS 90 far 0 99 0 - 9.5-21.9 Violated in 0 structures by 0.00 A. Peak 11079 from cnoeabs.peaks (0.60, 1.35, 28.11 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.91: QD1 ILE 7 + HG LEU 14 OK 91 92 100 99 2.5-3.2 12172=46, 10272/2.1=36...(30) QG2 ILE 56 - HG LEU 14 far 0 100 0 - 8.4-9.4 Violated in 0 structures by 0.00 A. Peak 11083 from cnoeabs.peaks (1.77, 2.29, 29.86 ppm; 4.68 A): 0 out of 2 assignments used, quality = 0.00: HG3 ARG 46 - HB2 GLU 48 far 0 85 0 - 7.6-9.5 HB2 GLU 28 - HB2 GLU 48 far 0 58 0 - 8.8-12.9 Violated in 20 structures by 3.47 A. Peak 11085 from cnoeabs.peaks (1.71, 2.20, 28.22 ppm; 3.84 A): 0 out of 0 assignments used, quality = 0.00: Peak 11086 from cnoeabs.peaks (3.82, 4.05, 59.39 ppm; 4.20 A): 2 out of 7 assignments used, quality = 0.98: HA ARG 19 + HA LYS 20 OK 96 97 100 99 4.7-4.8 786/6344=41, 3.0/798=35...(21) HA ARG 19 + HA GLU 16 OK 59 62 100 95 5.0-5.6 3.0/6278=36, 3.0/798=34...(16) HB3 SER 102 - HA GLU 95 far 9 63 15 - 4.9-13.6 HA LYS 12 - HA GLU 16 far 2 36 5 - 5.7-6.2 HA ALA 22 - HA LYS 20 far 0 98 0 - 6.4-6.8 HA SER 97 - HA GLU 95 far 0 65 0 - 6.4-6.8 HA ALA 22 - HA GLU 95 far 0 64 0 - 9.5-10.8 Violated in 20 structures by 0.22 A. Peak 11090 from cnoeabs.peaks (0.73, 3.80, 63.76 ppm; 5.35 A): 0 out of 10 assignments used, quality = 0.00: HG3 ARG 81 - HB3 SER 102 far 0 79 0 - 7.1-17.1 QG2 VAL 78 - HB3 SER 102 far 0 84 0 - 7.2-14.6 QG2 ILE 93 - HB3 SER 102 far 0 67 0 - 7.6-15.1 QG1 VAL 78 - HB3 SER 102 far 0 74 0 - 8.1-14.2 QD2 LEU 27 - HB3 SER 102 far 0 84 0 - 8.2-12.4 QG1 VAL 54 - HB3 SER 102 far 0 50 0 - 8.5-14.7 QD1 ILE 56 - HB3 SER 102 far 0 74 0 - 9.1-15.6 HG13 ILE 93 - HB3 SER 102 far 0 76 0 - 9.1-19.2 QG1 VAL 5 - HB3 SER 102 far 0 85 0 - 9.2-15.9 QD1 LEU 64 - HB3 SER 102 far 0 78 0 - 9.8-18.0 Violated in 20 structures by 2.10 A. Peak 11091 from cnoeabs.peaks (4.41, 4.41, 56.92 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA HIS 106 + HA HIS 106 OK 100 100 - 100 HA MET 21 + HA MET 21 OK 98 98 - 100 Peak 11092 from cnoeabs.peaks (8.15, 4.41, 56.92 ppm; 4.76 A): 1 out of 4 assignments used, quality = 1.00: * H HIS 106 + HA HIS 106 OK 100 100 100 100 2.8-2.9 2.9=100 H TRP 92 - HA HIS 106 far 0 94 0 - 7.4-20.4 H TRP 92 - HA MET 21 far 0 91 0 - 8.7-9.5 H GLY 100 - HA HIS 106 far 0 96 0 - 9.5-19.5 Violated in 0 structures by 0.00 A. Peak 11093 from cnoeabs.peaks (4.41, 3.18, 30.00 ppm; 3.72 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 106 + HB2 HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HA SER 102 - HB2 HIS 106 far 0 82 0 - 7.5-14.8 HA SER 102 - HB3 TRP 92 far 0 63 0 - 7.8-17.1 HA HIS 106 - HB3 TRP 92 far 0 84 0 - 8.0-18.7 HB THR 84 - HB2 HIS 106 far 0 71 0 - 9.3-30.0 HA MET 21 - HB3 TRP 92 far 0 84 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 11094 from cnoeabs.peaks (4.41, 3.05, 30.00 ppm; 3.78 A): 1 out of 6 assignments used, quality = 1.00: * HA HIS 106 + HB3 HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HA HIS 106 - HB3 HIS 105 poor 16 97 40 42 4.4-6.0 2.9/11097=24, 11095=15, ~4095=10 HA SER 102 - HB3 HIS 106 far 0 82 0 - 7.0-15.4 HA SER 102 - HB3 HIS 105 far 0 76 0 - 7.3-11.6 HB THR 84 - HB3 HIS 106 far 0 71 0 - 9.5-29.9 HB THR 84 - HB3 HIS 105 far 0 65 0 - 10.0-26.1 Violated in 0 structures by 0.00 A. Peak 11095 from cnoeabs.peaks (3.05, 4.41, 56.92 ppm; 4.07 A): 2 out of 5 assignments used, quality = 1.00: * HB3 HIS 106 + HA HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 HIS 105 + HA HIS 106 OK 22 99 50 46 4.4-6.0 11097/2.9=27, 11094=14, ~4095=12 HD3 ARG 79 - HA HIS 106 far 0 92 0 - 6.7-15.8 HD2 ARG 79 - HA HIS 106 far 0 94 0 - 8.4-16.6 HB3 ASN 26 - HA MET 21 far 0 95 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 11102 from cnoeabs.peaks (5.07, 5.19, 58.80 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.83: HA LYS 53 + HA VAL 78 OK 83 91 100 92 3.4-4.8 6886/11101=72...(8) Violated in 1 structures by 0.01 A. Peak 11103 from cnoeabs.peaks (5.20, 1.89, 35.51 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 78 + HB VAL 54 OK 100 100 100 100 1.9-3.3 10348=99, 11101/6896=60...(22) Violated in 0 structures by 0.00 A. Peak 11104 from cnoeabs.peaks (1.78, 1.89, 35.51 ppm; 4.23 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 78 + HB VAL 54 OK 100 100 100 100 1.8-3.6 10349=74, 3.0/10348=71...(22) HB2 LEU 42 - HB VAL 54 far 0 87 0 - 6.0-7.8 HB ILE 56 - HB VAL 54 far 0 92 0 - 6.3-7.7 HG3 ARG 46 - HB VAL 54 far 0 100 0 - 8.2-11.6 Violated in 0 structures by 0.00 A. Peak 11105 from cnoeabs.peaks (7.75, 1.89, 35.51 ppm; 6.22 A): 1 out of 4 assignments used, quality = 1.00: H VAL 78 + HB VAL 54 OK 100 100 100 100 4.1-5.8 3.0/10348=100, 9684=96...(15) HE ARG 30 - HB VAL 54 far 0 61 0 - 8.1-14.0 H SER 49 - HB VAL 54 far 0 84 0 - 8.7-11.2 H MET 74 - HB VAL 54 far 0 100 0 - 9.3-10.5 Violated in 0 structures by 0.00 A. Peak 11110 from cnoeabs.peaks (9.31, 0.44, 22.30 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: H LEU 6 + QD1 LEU 55 OK 100 100 100 100 4.7-5.8 10371/3.1=85...(13) Violated in 2 structures by 0.00 A. Peak 11111 from cnoeabs.peaks (9.19, 1.03, 42.07 ppm; 6.41 A): 1 out of 1 assignment used, quality = 1.00: H ILE 56 + HB3 LEU 55 OK 100 100 100 100 3.8-4.4 4.5=100 Violated in 0 structures by 0.00 A. Peak 11113 from cnoeabs.peaks (4.71, 5.39, 52.09 ppm; 5.69 A): 2 out of 3 assignments used, quality = 1.00: HA LYS 82 + HA LEU 57 OK 100 100 100 100 3.6-4.5 9372/6945=96...(12) HA LEU 55 + HA LEU 57 OK 47 63 100 74 6.5-7.0 4.0/9351=31, 3.7/9352=24...(9) HA ARG 79 - HA LEU 57 far 0 100 0 - 8.3-9.6 Violated in 0 structures by 0.00 A. Peak 11115 from cnoeabs.peaks (8.47, 4.61, 60.23 ppm; 4.38 A): 2 out of 4 assignments used, quality = 1.00: H VAL 32 + HA ILE 8 OK 100 100 100 100 2.7-3.6 10147=99, 8346/6102=64...(15) H ILE 7 + HA ILE 8 OK 93 95 100 98 4.7-5.2 6084/3.0=55, ~6087=39...(15) H THR 31 - HA ILE 8 far 0 91 0 - 6.8-7.7 H ALA 67 - HA ILE 8 far 0 100 0 - 8.2-9.3 Violated in 0 structures by 0.00 A. Peak 11117 from cnoeabs.peaks (8.49, 4.67, 52.29 ppm; 3.80 A): 2 out of 4 assignments used, quality = 1.00: H ARG 79 + HA LEU 55 OK 99 100 100 100 2.3-3.1 11118=93, 9697/6915=45...(19) H VAL 54 + HA LEU 55 OK 82 100 100 82 4.5-4.8 9218/10669=29, ~6902=26...(14) H ILE 7 - HA LEU 55 far 0 68 0 - 8.2-9.0 H LYS 53 - HA LEU 55 far 0 84 0 - 8.4-8.8 Violated in 0 structures by 0.00 A. Peak 11120 from cnoeabs.peaks (8.90, 5.33, 59.69 ppm; 5.57 A): 2 out of 4 assignments used, quality = 0.88: H LEU 57 + HA THR 80 OK 81 81 100 100 5.0-5.7 4.4/10293=79...(15) H ASP 77 + HA ILE 52 OK 39 65 90 67 6.4-7.3 10897/4.1=31...(8) H VAL 5 - HA ILE 52 far 0 61 0 - 9.4-10.6 H VAL 5 - HA THR 80 far 0 95 0 - 9.9-10.6 Violated in 0 structures by 0.00 A. Peak 11121 from cnoeabs.peaks (4.70, 3.68, 69.77 ppm; 4.87 A): 2 out of 3 assignments used, quality = 0.98: HA ARG 79 + HB THR 80 OK 94 96 100 98 5.2-5.7 7298/7306=86...(11) HA LYS 82 + HB THR 80 OK 75 100 90 84 5.4-6.7 9486/10244=42...(9) HA LEU 55 - HB THR 80 far 0 84 0 - 6.6-7.5 Violated in 20 structures by 0.16 A. Peak 11123 from cnoeabs.peaks (8.53, 4.70, 54.96 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.96: H VAL 58 + HA LYS 82 OK 96 96 100 100 2.3-3.1 9372=94, 9395/7343=61...(16) Violated in 0 structures by 0.00 A. Peak 11126 from cnoeabs.peaks (8.51, 5.34, 59.36 ppm; 3.68 A): 3 out of 9 assignments used, quality = 1.00: H LEU 2 + HA ILE 52 OK 99 100 100 99 2.2-4.2 8044=63, 8/8004=35...(21) H ARG 79 + HA THR 80 OK 65 69 100 94 4.3-4.6 7297/2.9=50...(15) H LYS 53 + HA ILE 52 OK 61 61 100 100 2.1-2.5 3.6=100 H ASN 51 - HA ILE 52 poor 20 79 25 - 4.3-5.4 H VAL 58 - HA THR 80 poor 11 37 30 - 5.0-6.0 H VAL 54 - HA ILE 52 far 0 96 0 - 6.1-6.6 H ALA 67 - HA THR 80 far 0 53 0 - 6.6-7.4 H VAL 54 - HA THR 80 far 0 63 0 - 7.6-9.1 H ARG 79 - HA ILE 52 far 0 100 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 12004 from cnoeabs.peaks (2.83, 3.90, 45.00 ppm; 6.07 A): 2 out of 2 assignments used, quality = 0.99: HE3 LYS 53 + HA3 GLY 101 OK 93 100 100 93 2.0-6.1 3.0/10101=21...(22) HE2 LYS 53 + HA3 GLY 101 OK 93 100 100 93 2.0-6.3 3.0/10101=21...(21) Violated in 0 structures by 0.00 A. Peak 12006 from cnoeabs.peaks (3.96, 1.53, 41.20 ppm; 6.22 A): 4 out of 4 assignments used, quality = 1.00: HD3 PRO 86 + HB2 LEU 14 OK 89 89 100 100 3.1-3.4 2.3/12221=92...(40) HD2 PRO 86 + HB2 LEU 14 OK 88 88 100 100 4.4-4.7 2.3/12221=92, ~12018=74...(40) HB3 SER 9 + HB2 LEU 14 OK 63 63 100 100 5.3-6.7 2.8/12009=62, ~8403=62...(17) HB3 SER 9 + HB ILE 7 OK 55 55 100 100 6.5-7.1 ~8267=87, 4.0/8315=78...(16) Violated in 0 structures by 0.00 A. Peak 12008 from cnoeabs.peaks (3.96, 1.88, 41.20 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.96: HD3 PRO 86 + HB3 LEU 14 OK 73 73 100 100 4.2-4.7 ~12221=83, 12018/3.1=75...(40) HD2 PRO 86 + HB3 LEU 14 OK 72 72 100 100 5.7-6.3 ~12221=83, ~12018=78...(40) HB3 SER 9 + HB3 LEU 14 OK 52 52 100 100 3.8-5.7 ~8403=66, ~8401=65...(20) Violated in 0 structures by 0.00 A. Peak 12009 from cnoeabs.peaks (6.06, 1.52, 41.20 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HG SER 9 + HB2 LEU 14 OK 100 100 100 100 4.4-6.0 8403/3.1=95, 8401/3.1=73...(18) HG SER 9 - HB ILE 7 far 0 94 0 - 8.1-8.7 Violated in 0 structures by 0.00 A. Peak 12011 from cnoeabs.peaks (2.19, 1.52, 41.20 ppm; 5.67 A): 1 out of 4 assignments used, quality = 1.00: HG3 PRO 86 + HB2 LEU 14 OK 100 100 100 100 4.6-5.2 12221=100, 9890/3.0=78...(35) HB3 GLU 16 - HB2 LEU 14 poor 13 85 30 53 6.8-9.1 4.0/8474=32, 6251/601=20...(4) HB3 GLU 16 - HB ILE 7 far 0 75 0 - 9.0-9.9 HB2 GLU 63 - HB ILE 7 far 0 92 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 12012 from cnoeabs.peaks (1.23, 0.68, 25.60 ppm; 3.77 A): 3 out of 3 assignments used, quality = 0.99: QB ALA 18 + QD1 LEU 14 OK 96 99 100 97 3.1-4.6 12013/2.1=51, 12032=30...(26) HB2 LEU 57 + QD1 LEU 14 OK 44 60 100 74 3.3-4.5 12013/2.1=25...(14) QG2 THR 84 + QD1 LEU 14 OK 41 98 45 92 4.9-6.0 3.2/8425=43, 2.1/9835=39...(11) Violated in 0 structures by 0.00 A. Peak 12013 from cnoeabs.peaks (1.23, 0.71, 24.40 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.98: QB ALA 18 + QD2 LEU 14 OK 96 100 100 96 3.2-3.8 643/8413=40, 12031=37...(30) HB2 LEU 57 + QD2 LEU 14 OK 46 67 95 73 3.5-5.3 9819/10403=20...(19) QB ALA 18 - QD2 LEU 6 far 0 63 0 - 6.0-7.6 QG2 THR 84 - QD2 LEU 14 far 0 97 0 - 6.4-7.2 HB2 LEU 57 - QD2 LEU 6 far 0 35 0 - 7.9-8.6 Violated in 1 structures by 0.00 A. Peak 12014 from cnoeabs.peaks (1.42, 0.68, 25.60 ppm; 3.44 A): 5 out of 15 assignments used, quality = 1.00: HG12 ILE 7 + QD1 LEU 14 OK 89 100 100 90 3.5-4.1 10273/2.1=30, ~11079=26...(24) QB ALA 71 + QD1 LEU 42 OK 85 96 100 89 1.9-3.0 7165/10414=33...(27) HB2 LEU 38 + QD1 LEU 42 OK 54 64 95 90 2.3-5.1 4.6/8947=20, ~12068=13...(32) HG3 LYS 39 + QD1 LEU 42 OK 42 87 50 98 3.1-5.3 1.8/10570=77...(14) HG LEU 38 + QD1 LEU 42 OK 42 56 90 83 2.4-5.0 ~12068=18, ~8921=15...(24) HG13 ILE 76 - QD1 LEU 42 far 0 92 0 - 5.2-6.2 HG2 LYS 13 - QD1 LEU 14 far 0 98 0 - 5.3-5.5 HG3 ARG 91 - QD1 LEU 14 far 0 72 0 - 6.6-7.1 HG LEU 29 - QD1 LEU 14 far 0 96 0 - 7.3-8.7 QB ALA 22 - QD1 LEU 14 far 0 96 0 - 7.6-8.9 HG2 LYS 20 - QD1 LEU 14 far 0 62 0 - 7.7-9.7 HD2 LYS 82 - QD1 LEU 14 far 0 58 0 - 7.9-9.8 HG13 ILE 52 - QD1 LEU 42 far 0 60 0 - 8.0-11.1 HG2 LYS 12 - QD1 LEU 14 far 0 84 0 - 8.4-9.8 HD2 LYS 53 - QD1 LEU 42 far 0 56 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 12015 from cnoeabs.peaks (1.42, 0.71, 24.40 ppm; 3.68 A): 2 out of 19 assignments used, quality = 1.00: HG12 ILE 7 + QD2 LEU 14 OK 97 100 100 97 1.8-3.0 10273=50, 2.1/10272=34...(26) HG2 LYS 13 + QD2 LEU 14 OK 86 98 100 88 4.5-4.9 6191/626=31, 245/3.1=16...(31) HG LEU 29 - QD2 LEU 6 poor 12 57 55 38 3.6-7.8 1294/10232=13, ~8672=6...(11) HG LEU 38 - QD2 LEU 6 far 3 31 10 - 4.3-8.2 QB ALA 22 - QD2 LEU 6 far 0 57 0 - 5.2-7.3 HB2 LEU 38 - QD2 LEU 6 far 0 35 0 - 5.4-8.4 QB ALA 71 - QD2 LEU 6 far 0 61 0 - 5.6-7.7 HG LEU 29 - QD2 LEU 14 far 0 96 0 - 6.1-7.3 HG2 LYS 12 - QD2 LEU 14 far 0 85 0 - 6.2-7.9 HB2 LEU 27 - QD2 LEU 6 far 0 33 0 - 6.6-9.3 HG12 ILE 7 - QD2 LEU 6 far 0 63 0 - 6.9-7.7 QB ALA 22 - QD2 LEU 14 far 0 96 0 - 7.3-8.4 HG13 ILE 52 - QD2 LEU 6 far 0 33 0 - 7.4-10.6 HG3 LYS 39 - QD2 LEU 6 far 0 52 0 - 7.5-10.3 HG2 LYS 20 - QD2 LEU 14 far 0 63 0 - 7.9-8.7 HG3 ARG 91 - QD2 LEU 14 far 0 73 0 - 8.6-9.4 HG13 ILE 76 - QD2 LEU 6 far 0 56 0 - 8.8-10.1 HD2 LYS 82 - QD2 LEU 14 far 0 59 0 - 9.3-10.6 HD2 LYS 53 - QD2 LEU 6 far 0 31 0 - 9.6-10.9 Violated in 0 structures by 0.00 A. Peak 12017 from cnoeabs.peaks (3.97, 0.67, 25.60 ppm; 3.83 A): 2 out of 5 assignments used, quality = 1.00: HD3 PRO 86 + QD1 LEU 14 OK 99 99 100 100 3.4-4.2 3.6/8411=54...(38) HD2 PRO 86 + QD1 LEU 14 OK 99 99 100 100 4.1-4.8 3.6/8411=54, 2.3/9889=39...(36) HA GLU 69 - QD1 LEU 42 far 0 76 0 - 6.4-7.3 HA GLU 75 - QD1 LEU 42 far 0 66 0 - 6.9-7.8 HA GLU 44 - QD1 LEU 42 far 0 57 0 - 8.3-8.6 Violated in 3 structures by 0.01 A. Peak 12018 from cnoeabs.peaks (3.98, 0.71, 24.40 ppm; 4.68 A): 1 out of 5 assignments used, quality = 1.00: HD3 PRO 86 + QD2 LEU 14 OK 100 100 100 100 5.3-5.8 3.6/8412=62...(36) HD2 PRO 86 - QD2 LEU 14 far 0 100 0 - 6.3-6.8 HA LEU 70 - QD2 LEU 6 far 0 29 0 - 9.3-11.8 HB2 SER 97 - QD2 LEU 6 far 0 40 0 - 9.4-11.9 HB3 SER 97 - QD2 LEU 6 far 0 63 0 - 9.7-13.3 Violated in 20 structures by 0.92 A. Peak 12020 from cnoeabs.peaks (0.71, 3.26, 65.90 ppm; 3.40 A): 2 out of 9 assignments used, quality = 0.99: QD2 LEU 14 + HA ILE 15 OK 98 100 100 99 2.1-3.4 8413=58, 12013/643=30...(34) QD1 LEU 14 + HA ILE 15 OK 68 70 100 97 4.5-4.8 2.1/8413=50, 6215/3.0=22...(29) QG1 VAL 5 - HA ILE 15 far 0 95 0 - 6.3-6.8 QD1 ILE 8 - HA ILE 15 far 0 100 0 - 7.4-9.3 HG13 ILE 93 - HA ILE 15 far 0 70 0 - 7.8-9.4 QG1 VAL 58 - HA ILE 15 far 0 98 0 - 8.0-9.0 QD2 LEU 6 - HA ILE 15 far 0 86 0 - 8.1-9.4 QG2 VAL 58 - HA ILE 15 far 0 66 0 - 9.0-10.0 QD1 ILE 56 - HA ILE 15 far 0 100 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 12021 from cnoeabs.peaks (0.68, 3.26, 65.90 ppm; 3.98 A): 4 out of 9 assignments used, quality = 1.00: QD1 LEU 14 + HA ILE 15 OK 99 100 100 100 4.5-4.8 2.1/8413=69, 2.1/8409=33...(30) QD2 LEU 14 + HA ILE 15 OK 79 79 100 100 2.1-3.4 8413=69, 2.1/8409=33...(36) QD1 LEU 29 + HA ILE 15 OK 67 81 100 82 3.9-5.1 8672/772=38, 8689=25...(16) QD2 LEU 29 + HA ILE 15 OK 44 60 100 74 3.2-5.0 2.1/8689=33...(15) QD1 ILE 8 - HA ILE 15 far 0 78 0 - 7.4-9.3 QG1 VAL 58 - HA ILE 15 far 0 56 0 - 8.0-9.0 QD2 LEU 6 - HA ILE 15 far 0 99 0 - 8.1-9.4 QG2 VAL 58 - HA ILE 15 far 0 99 0 - 9.0-10.0 QD1 ILE 56 - HA ILE 15 far 0 81 0 - 9.1-11.7 Violated in 0 structures by 0.00 A. Peak 12024 from cnoeabs.peaks (0.88, 1.69, 29.40 ppm; 5.23 A): 1 out of 15 assignments used, quality = 0.94: HG13 ILE 7 + HG12 ILE 15 OK 94 94 100 100 2.2-4.5 10118/1.8=91, ~8469=74...(29) QD1 LEU 103 - HB3 ARG 91 far 9 92 10 - 6.0-15.2 QD1 LEU 2 - HD3 LYS 47 far 0 95 0 - 7.2-11.0 QG2 ILE 76 - HD3 LYS 47 far 0 94 0 - 7.3-9.9 HG13 ILE 8 - HG12 ILE 15 far 0 98 0 - 7.4-8.8 QG2 ILE 76 - HD2 LYS 47 far 0 93 0 - 7.8-10.5 HG13 ILE 7 - HD2 LYS 12 far 0 61 0 - 8.4-11.0 HG13 ILE 7 - HD3 LYS 90 far 0 92 0 - 8.4-11.3 QG1 VAL 32 - HG12 ILE 15 far 0 74 0 - 8.5-9.6 QD1 LEU 2 - HD2 LYS 47 far 0 94 0 - 8.6-11.8 QD1 LEU 38 - HG12 ILE 15 far 0 95 0 - 9.1-13.1 QD1 LEU 103 - HD3 LYS 90 far 0 96 0 - 9.4-19.3 HG13 ILE 7 - HD2 LYS 20 far 0 75 0 - 9.8-12.3 HG13 ILE 7 - HD3 LYS 12 far 0 61 0 - 9.8-12.1 HG13 ILE 7 - HD3 LYS 20 far 0 71 0 - 9.9-13.5 Violated in 0 structures by 0.00 A. Peak 12025 from cnoeabs.peaks (1.42, 1.69, 29.40 ppm; 3.50 A): 7 out of 38 assignments used, quality = 1.00: HG12 ILE 7 + HG12 ILE 15 OK 98 100 100 98 2.7-4.5 ~8469=35, ~10118=34...(32) HG3 ARG 91 + HB3 ARG 91 OK 65 65 100 100 2.4-3.0 2.8=100 HG3 ARG 91 + HD3 LYS 90 OK 54 71 100 76 2.1-4.9 1.8/4039=21, 4.8/7438=16...(16) HG2 LYS 12 + HD3 LYS 12 OK 53 53 100 100 2.3-3.0 3.0=100 HG2 LYS 12 + HD2 LYS 12 OK 53 53 100 100 2.3-3.0 3.0=100 HG2 LYS 20 + HD2 LYS 20 OK 45 45 100 100 2.4-2.6 2.8=100 HG2 LYS 20 + HD3 LYS 20 OK 42 42 100 100 2.3-3.0 2.8=100 HG2 LYS 20 - HD3 LYS 90 far 0 61 0 - 5.7-10.7 HG2 LYS 13 - HG12 ILE 15 far 0 98 0 - 6.1-6.7 HG2 LYS 13 - HD2 LYS 12 far 0 67 0 - 6.1-7.5 HG2 LYS 12 - HG12 ILE 15 far 0 85 0 - 6.2-8.3 HG2 LYS 13 - HD3 LYS 12 far 0 67 0 - 6.4-8.2 HG LEU 29 - HG12 ILE 15 far 0 96 0 - 6.4-8.1 QB ALA 22 - HD2 LYS 20 far 0 75 0 - 7.1-8.5 HG LEU 29 - HD2 LYS 20 far 0 75 0 - 7.2-11.2 HG LEU 29 - HD3 LYS 20 far 0 71 0 - 7.8-11.5 QB ALA 22 - HD3 LYS 20 far 0 71 0 - 7.8-8.7 QB ALA 22 - HD3 LYS 90 far 0 94 0 - 8.1-9.7 HG13 ILE 76 - HD3 LYS 47 far 0 88 0 - 8.3-10.8 HG13 ILE 76 - HD2 LYS 47 far 0 87 0 - 8.4-11.3 HG2 LYS 13 - HD3 LYS 90 far 0 97 0 - 8.5-11.8 HG12 ILE 7 - HD3 LYS 90 far 0 99 0 - 8.6-11.6 QB ALA 22 - HG12 ILE 15 far 0 96 0 - 8.6-9.9 HG3 ARG 91 - HD2 LYS 20 far 0 53 0 - 8.7-12.8 HG2 LYS 12 - HD2 LYS 20 far 0 64 0 - 9.0-12.7 HG LEU 29 - HD3 LYS 90 far 0 94 0 - 9.1-12.9 HG2 LYS 20 - HD2 LYS 12 far 0 37 0 - 9.3-12.2 HG2 LYS 13 - HD2 LYS 20 far 0 79 0 - 9.3-11.2 HG2 LYS 13 - HD3 LYS 20 far 0 75 0 - 9.3-12.2 HG12 ILE 7 - HD2 LYS 12 far 0 69 0 - 9.3-11.1 HG13 ILE 52 - HD3 LYS 47 far 0 56 0 - 9.3-13.4 HG2 LYS 20 - HD3 LYS 12 far 0 37 0 - 9.3-13.8 QB ALA 22 - HB3 ARG 91 far 0 89 0 - 9.4-11.3 HG2 LYS 20 - HG12 ILE 15 far 0 63 0 - 9.5-9.9 HG2 LYS 12 - HD3 LYS 20 far 0 60 0 - 9.6-13.2 HG3 LYS 39 - HD2 LYS 47 far 0 81 0 - 9.6-16.2 HG LEU 29 - HD2 LYS 12 far 0 63 0 - 9.7-12.4 HG3 ARG 91 - HD3 LYS 20 far 0 50 0 - 9.8-13.5 Violated in 0 structures by 0.00 A. Peak 12026 from cnoeabs.peaks (1.31, 1.94, 29.00 ppm; 5.71 A): 3 out of 4 assignments used, quality = 0.98: HG2 LYS 90 + HB2 GLU 17 OK 79 79 100 100 2.4-5.7 1.8/12027=96, ~12029=55...(22) QB ALA 89 + HB2 GLU 17 OK 75 88 100 85 3.7-5.7 9940/742=55, 3.6/736=32...(10) HG LEU 14 + HB2 GLU 17 OK 67 69 100 97 4.0-6.6 4.3/735=39, 8334/742=33...(19) QB ALA 25 - HB2 GLU 17 far 0 88 0 - 9.0-11.2 Violated in 0 structures by 0.00 A. Peak 12027 from cnoeabs.peaks (1.58, 1.94, 29.00 ppm; 4.87 A): 1 out of 5 assignments used, quality = 0.98: HG3 LYS 90 + HB2 GLU 17 OK 98 100 100 99 2.0-5.1 12029/1.8=57, ~10310=41...(25) HG2 ARG 19 - HB2 GLU 17 far 0 100 0 - 6.7-9.7 HD3 LYS 94 - HB2 GLU 17 far 0 94 0 - 7.5-11.9 HG3 LYS 12 - HB2 GLU 17 far 0 97 0 - 8.2-12.9 HB3 LEU 29 - HB2 GLU 17 far 0 96 0 - 9.0-10.5 Violated in 2 structures by 0.01 A. Peak 12028 from cnoeabs.peaks (1.29, 2.01, 29.00 ppm; 5.69 A): 2 out of 7 assignments used, quality = 1.00: HG2 LYS 90 + HB3 GLU 17 OK 100 100 100 100 2.0-5.3 ~12027=78, 1.8/12029=66...(31) HB3 LEU 42 + HB2 GLU 44 OK 40 58 80 85 6.6-8.5 3.0/10343=57...(6) HG2 ARG 30 - HB3 GLU 44 poor 15 62 25 - 6.9-9.1 HG2 ARG 30 - HB2 GLU 44 lone 5 62 70 12 6.1-8.9 8703/8988=8, 8703/14623=2 HB3 LEU 42 - HB3 GLU 44 far 3 58 5 - 7.0-8.7 HG LEU 3 - HB3 GLU 99 far 0 33 0 - 7.7-9.8 HG LEU 3 - HB2 GLN 50 far 0 92 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 12029 from cnoeabs.peaks (1.58, 2.01, 29.00 ppm; 4.69 A): 2 out of 18 assignments used, quality = 0.99: HG3 LYS 90 + HB3 GLU 17 OK 99 100 100 99 2.0-5.1 12027/1.8=75...(25) HD2 LYS 66 + HB2 GLU 35 OK 46 50 95 96 2.8-6.8 12289/2.9=30...(34) HG LEU 103 - HB3 GLU 99 poor 9 35 25 - 2.0-11.7 HB2 LEU 103 - HB3 GLU 99 far 5 34 15 - 3.9-10.2 HG2 ARG 19 - HB3 GLU 17 far 0 100 0 - 6.7-9.8 HB3 GLU 28 - HB3 GLU 44 far 0 55 0 - 7.1-9.9 HB3 GLU 28 - HB2 GLU 44 far 0 55 0 - 7.2-9.7 HD3 LYS 53 - HB3 GLU 99 far 0 23 0 - 7.2-11.1 HD3 LYS 94 - HB3 GLU 17 far 0 93 0 - 7.4-12.4 HB2 ARG 30 - HB2 GLU 44 far 0 49 0 - 7.8-10.6 HB2 LEU 3 - HB3 GLU 99 far 0 24 0 - 7.8-10.9 HB2 ARG 79 - HB3 GLU 99 far 0 28 0 - 8.4-11.5 HB2 ARG 30 - HB3 GLU 44 far 0 49 0 - 8.7-10.4 HD3 LYS 53 - HB2 GLN 50 far 0 71 0 - 8.9-12.5 HG3 LYS 73 - HB2 GLU 35 far 0 53 0 - 8.9-12.1 HB3 LEU 29 - HB3 GLU 17 far 0 95 0 - 9.1-10.5 HG2 LYS 24 - HB3 GLU 17 far 0 99 0 - 9.2-13.4 HG3 LYS 12 - HB3 GLU 17 far 0 96 0 - 9.3-12.9 Violated in 0 structures by 0.00 A. Peak 12030 from cnoeabs.peaks (1.34, 3.77, 55.00 ppm; 4.30 A): 2 out of 6 assignments used, quality = 0.99: QB ALA 89 + HA ALA 18 OK 90 99 100 90 3.5-4.2 9940/2.9=50...(15) HG LEU 14 + HA ALA 18 OK 89 98 95 96 5.1-5.8 ~12013=38, 8334/2.9=28...(22) QB ALA 25 - HA ALA 18 far 0 99 0 - 6.8-7.8 HG3 LYS 94 - HA ALA 18 far 0 56 0 - 7.5-10.1 HG2 LYS 94 - HA ALA 18 far 0 99 0 - 9.0-11.0 HB3 LEU 27 - HA ALA 18 far 0 99 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 12031 from cnoeabs.peaks (0.71, 1.23, 18.00 ppm; 3.23 A): 4 out of 13 assignments used, quality = 1.00: QD2 LEU 14 + QB ALA 18 OK 95 100 100 95 3.2-3.8 12013=53, 8413/643=34...(28) QD1 LEU 14 + QB ALA 18 OK 64 71 100 90 3.1-4.6 2.1/12013=39, 12012=24...(24) HG13 ILE 93 + QB ALA 18 OK 60 71 95 89 3.4-4.9 2.1/10020=64, ~10026=19...(13) QG1 VAL 5 + QB ALA 18 OK 37 95 100 39 3.1-3.9 2.1/8486=9...(12) QD2 LEU 6 - QB ALA 18 far 0 86 0 - 6.0-7.6 QD1 ILE 8 - QB ALA 18 far 0 100 0 - 6.5-8.6 QD1 ILE 56 - QB ALA 18 far 0 100 0 - 6.9-8.9 QG1 VAL 58 - QB ALA 18 far 0 98 0 - 7.3-8.1 QG2 VAL 58 - QB ALA 18 far 0 67 0 - 7.9-8.6 QD2 LEU 27 - QB ALA 18 far 0 92 0 - 8.0-8.8 HG13 ILE 56 - QB ALA 18 far 0 100 0 - 8.2-10.3 HG3 ARG 81 - QB ALA 18 far 0 78 0 - 8.5-10.8 QD1 LEU 64 - QB ALA 18 far 0 74 0 - 9.4-10.4 Violated in 0 structures by 0.00 A. Peak 12032 from cnoeabs.peaks (0.68, 1.23, 18.00 ppm; 3.03 A): 4 out of 11 assignments used, quality = 0.99: QD1 LEU 14 + QB ALA 18 OK 83 100 95 88 3.1-4.6 2.1/12013=34, 12012=27...(26) QD1 LEU 29 + QB ALA 18 OK 70 81 100 86 1.9-3.3 8672=47, 8688/2.1=13...(22) QD2 LEU 14 + QB ALA 18 OK 70 80 100 87 3.2-3.8 12013=31, 2.1/12012=24...(26) QD2 LEU 29 + QB ALA 18 OK 52 61 100 87 1.8-3.6 2.1/8672=43, 2.1/8484=11...(24) QD2 LEU 6 - QB ALA 18 far 0 99 0 - 6.0-7.6 QD1 ILE 8 - QB ALA 18 far 0 78 0 - 6.5-8.6 QD1 ILE 56 - QB ALA 18 far 0 81 0 - 6.9-8.9 QG1 VAL 58 - QB ALA 18 far 0 56 0 - 7.3-8.1 QG2 VAL 58 - QB ALA 18 far 0 100 0 - 7.9-8.6 HG13 ILE 56 - QB ALA 18 far 0 69 0 - 8.2-10.3 QG2 VAL 54 - QB ALA 18 far 0 83 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 12033 from cnoeabs.peaks (7.45, 1.59, 27.70 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 19 + HG2 ARG 19 OK 100 100 100 100 2.1-3.9 3.6=100 Violated in 0 structures by 0.00 A. Peak 12034 from cnoeabs.peaks (7.45, 1.76, 27.70 ppm; 6.29 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 19 + HG3 ARG 19 OK 100 100 100 100 2.1-4.0 3.6=100 Violated in 0 structures by 0.00 A. Peak 12038 from cnoeabs.peaks (6.92, 0.81, 23.50 ppm; 5.41 A): 1 out of 3 assignments used, quality = 0.70: HE21 GLN 50 + QD2 LEU 2 OK 70 100 70 100 3.8-9.7 9093/2.1=85, 9094=72...(9) QE PHE 96 - QD2 LEU 103 lone 3 29 85 13 2.4-9.0 9274/9272=4, 6.5/7661=3 QE PHE 96 - QD2 LEU 2 lone 1 61 35 7 4.9-8.3 8070/79=3, 14678/2.1=1 Violated in 15 structures by 1.46 A. Peak 12039 from cnoeabs.peaks (1.46, 0.88, 24.80 ppm; 3.47 A): 1 out of 20 assignments used, quality = 0.99: HG13 ILE 52 + QD1 LEU 2 OK 99 100 100 99 1.9-4.3 12040/2.1=54...(35) HG2 LYS 53 - QD1 LEU 2 far 10 100 10 - 4.8-7.0 HG3 LYS 53 - QD1 LEU 2 far 0 99 0 - 5.3-7.6 HB2 ARG 91 - QD1 LEU 103 far 0 50 0 - 5.6-14.9 HD2 LYS 53 - QD1 LEU 2 far 0 100 0 - 6.0-8.4 HG2 LYS 53 - QD1 LEU 103 far 0 68 0 - 6.5-11.8 HG LEU 64 - QD1 LEU 103 far 0 57 0 - 6.5-18.9 HG3 LYS 53 - QD1 LEU 103 far 0 66 0 - 6.5-10.8 HD2 LYS 53 - QD1 LEU 103 far 0 68 0 - 6.9-10.7 HG2 LYS 47 - QD1 LEU 2 far 0 75 0 - 7.4-10.8 HG3 ARG 91 - QD1 LEU 103 far 0 66 0 - 7.6-16.8 QB ALA 22 - QD1 LEU 103 far 0 52 0 - 7.9-13.4 HG13 ILE 76 - QD1 LEU 2 far 0 87 0 - 7.9-10.2 HB3 LEU 64 - QD1 LEU 103 far 0 45 0 - 8.3-19.1 HG12 ILE 7 - QD1 LEU 103 far 0 37 0 - 8.5-19.1 HB2 LEU 27 - QD1 LEU 2 far 0 100 0 - 8.8-10.7 QB ALA 22 - QD1 LEU 2 far 0 85 0 - 8.8-10.6 HD2 LYS 82 - QD1 LEU 103 far 0 68 0 - 9.2-20.0 HB2 LEU 27 - QD1 LEU 103 far 0 68 0 - 10.0-15.4 HG LEU 29 - QD1 LEU 103 far 0 52 0 - 10.0-19.5 Violated in 15 structures by 0.33 A. Peak 12040 from cnoeabs.peaks (1.46, 0.81, 23.50 ppm; 3.42 A): 2 out of 21 assignments used, quality = 0.99: HG13 ILE 52 + QD2 LEU 2 OK 99 100 100 99 2.3-4.5 12039/2.1=65, ~8051=24...(35) HG2 LYS 53 + QD2 LEU 2 OK 26 100 65 41 4.0-8.5 8016/8058=6, 5.0/6870=6...(14) HG3 LYS 53 - QD2 LEU 2 far 5 99 5 - 4.1-8.6 HD2 LYS 53 - QD2 LEU 103 far 0 59 0 - 5.5-9.7 HD2 LYS 53 - QD2 LEU 2 far 0 100 0 - 5.9-8.9 HG3 LYS 53 - QD2 LEU 103 far 0 57 0 - 5.9-10.8 HG LEU 64 - QD2 LEU 103 far 0 49 0 - 6.7-19.8 HB2 ARG 91 - QD2 LEU 103 far 0 43 0 - 6.9-15.7 HB2 LEU 27 - QD2 LEU 2 far 0 100 0 - 6.9-9.9 HG2 LYS 53 - QD2 LEU 103 far 0 58 0 - 7.1-11.8 HG2 LYS 47 - QD2 LEU 2 far 0 75 0 - 7.4-12.0 QB ALA 22 - QD2 LEU 103 far 0 44 0 - 7.4-13.1 QB ALA 22 - QD2 LEU 2 far 0 85 0 - 7.4-10.0 HG13 ILE 76 - QD2 LEU 2 far 0 87 0 - 7.7-11.4 HB3 LEU 64 - QD2 LEU 103 far 0 38 0 - 7.7-20.0 HD2 LYS 82 - QD2 LEU 103 far 0 59 0 - 8.5-21.1 HG3 ARG 91 - QD2 LEU 103 far 0 57 0 - 8.7-17.2 HG13 ILE 52 - QD2 LEU 103 far 0 58 0 - 8.8-14.4 HB2 LEU 27 - QD2 LEU 103 far 0 58 0 - 8.9-15.2 HG12 ILE 7 - QD2 LEU 103 far 0 31 0 - 9.0-19.6 HG13 ILE 76 - QD2 LEU 103 far 0 45 0 - 9.7-17.6 Violated in 11 structures by 0.17 A. Peak 12041 from cnoeabs.peaks (1.45, 2.93, 31.90 ppm; 6.45 A): 5 out of 7 assignments used, quality = 1.00: QB ALA 22 + HG2 MET 21 OK 93 93 100 100 3.1-6.0 2.9/6349=94, ~6351=71...(24) HG2 LYS 20 + HG2 MET 21 OK 78 96 95 85 5.2-8.1 1.8/12042=40...(9) HG3 ARG 91 + HG2 MET 21 OK 63 97 90 72 5.1-8.3 ~9962=24, 4.0/12238=14...(12) HG LEU 29 + HG2 MET 21 OK 49 93 60 88 6.5-10.3 ~10445=69...(8) HB2 ARG 91 + HG2 MET 21 OK 35 59 90 67 6.2-8.5 ~9962=22, ~8541=18...(10) HB2 LEU 27 - HG2 MET 21 far 14 96 15 - 5.4-9.3 HG12 ILE 7 - HG2 MET 21 far 0 80 0 - 9.1-11.1 Violated in 0 structures by 0.00 A. Peak 12042 from cnoeabs.peaks (1.67, 2.94, 31.90 ppm; 5.39 A): 3 out of 9 assignments used, quality = 0.97: HG3 LYS 20 + HG2 MET 21 OK 82 100 95 86 5.3-8.6 903/977=53, 8564/3.9=36...(9) HD3 LYS 90 + HG2 MET 21 OK 75 84 90 99 3.7-7.8 5.2/3920=63, 2.9/3955=40...(20) HB3 ARG 91 + HG2 MET 21 OK 31 98 55 58 6.2-8.9 ~9962=15, ~8541=13...(12) HD3 LYS 20 - HG2 MET 21 far 10 100 10 - 6.6-9.1 HD3 LYS 24 - HG2 MET 21 far 8 84 10 - 6.7-10.4 HD2 LYS 20 - HG2 MET 21 far 5 100 5 - 6.4-9.7 HD2 LYS 24 - HG2 MET 21 far 4 85 5 - 6.8-10.6 HG2 PRO 86 - HG2 MET 21 far 0 90 0 - 9.4-12.1 HD2 LYS 13 - HG2 MET 21 far 0 77 0 - 9.9-16.3 Violated in 3 structures by 0.04 A. Peak 12043 from cnoeabs.peaks (1.44, 2.40, 31.90 ppm; 5.24 A): 5 out of 12 assignments used, quality = 1.00: QB ALA 22 + HG3 MET 21 OK 100 100 100 100 3.2-6.2 ~6349=57, ~984=54...(21) QB ALA 22 + HB3 MET 21 OK 97 97 100 100 4.0-5.4 ~967=63, 6353/4.6=61...(24) HG2 LYS 20 + HB3 MET 21 OK 76 90 95 89 3.7-6.9 6326/4.0=33, ~8564=30...(17) HG2 LYS 20 + HG3 MET 21 OK 68 94 95 75 3.8-7.6 ~12042=27, 6326/5.1=26...(12) HG LEU 29 + HB3 MET 21 OK 22 97 45 50 4.5-9.2 6353/4.6=21...(9) HG3 ARG 91 - HG3 MET 21 poor 14 98 35 41 6.3-8.6 ~9962=16, 12041/1.8=10...(8) HB2 LEU 27 - HG3 MET 21 far 5 94 5 - 5.5-9.6 HG LEU 29 - HG3 MET 21 far 0 100 0 - 6.8-10.7 HG3 ARG 91 - HB3 MET 21 far 0 94 0 - 6.8-8.9 HB2 LEU 27 - HB3 MET 21 far 0 90 0 - 7.1-8.3 HG12 ILE 7 - HB3 MET 21 far 0 91 0 - 8.6-10.6 HG12 ILE 7 - HG3 MET 21 far 0 95 0 - 9.3-12.2 Violated in 0 structures by 0.00 A. Peak 12044 from cnoeabs.peaks (1.68, 2.40, 31.90 ppm; 5.30 A): 8 out of 18 assignments used, quality = 1.00: HG3 LYS 20 + HB3 MET 21 OK 88 98 95 95 3.9-7.1 903/4.0=52, 8564/3.0=41...(19) HG3 LYS 20 + HG3 MET 21 OK 86 100 95 91 3.6-7.0 903/5.1=44, 8564/3.9=36...(16) HD3 LYS 90 + HG3 MET 21 OK 84 91 95 97 3.7-7.4 12042/1.8=31, ~3955=29...(25) HD3 LYS 90 + HB3 MET 21 OK 78 86 95 96 4.8-6.8 5.2/9949=28...(26) HD2 LYS 20 + HB3 MET 21 OK 65 98 90 73 5.3-8.1 ~8564=24, 6328/4.0=24...(13) HD3 LYS 20 + HG3 MET 21 OK 42 100 60 69 5.1-9.0 ~12042=23, 6329/5.1=20...(13) HD2 LYS 20 + HG3 MET 21 OK 41 100 60 69 4.9-9.4 ~12042=23, 6328/5.1=19...(13) HD3 LYS 20 + HB3 MET 21 OK 29 98 40 74 5.7-7.7 6329/4.0=25, ~8564=24...(13) HD2 LYS 24 - HG3 MET 21 poor 19 92 30 68 5.9-9.8 ~10444=37, 10444/3.4=17...(8) HD3 LYS 24 - HG3 MET 21 poor 15 91 25 66 5.5-9.8 ~10444=31, 10444/3.4=21...(8) HD3 LYS 24 - HB3 MET 21 far 4 86 5 - 6.7-9.5 HD2 LYS 24 - HB3 MET 21 far 0 87 0 - 7.1-10.0 HB3 ARG 91 - HG3 MET 21 far 0 100 0 - 7.2-9.4 HB3 ARG 91 - HB3 MET 21 far 0 97 0 - 8.0-10.0 HG2 PRO 86 - HG3 MET 21 far 0 95 0 - 9.6-12.4 HG12 ILE 15 - HB3 MET 21 far 0 89 0 - 9.6-11.8 HG2 PRO 86 - HB3 MET 21 far 0 90 0 - 9.9-11.0 HD2 LYS 13 - HG3 MET 21 far 0 85 0 - 10.0-15.5 Violated in 0 structures by 0.00 A. Peak 12046 from cnoeabs.peaks (7.47, 4.36, 54.30 ppm; 6.10 A): 1 out of 1 assignment used, quality = 1.00: HD22 ASN 26 + HA ASN 26 OK 100 100 100 100 2.0-2.2 4.4=100 Violated in 0 structures by 0.00 A. Peak 12048 from cnoeabs.peaks (3.96, 1.60, 26.50 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: HB2 SER 97 + HG LEU 27 OK 97 97 100 100 2.9-5.5 10077=96, 1.8/10072=84...(18) HB3 SER 97 + HG LEU 27 OK 90 90 100 100 3.2-5.5 1.8/10077=100, 10072=74...(18) Violated in 0 structures by 0.00 A. Peak 12049 from cnoeabs.peaks (8.50, 0.65, 26.60 ppm; 4.87 A): 2 out of 4 assignments used, quality = 1.00: H THR 31 + QD1 LEU 29 OK 99 100 100 100 4.0-6.3 12050/2.1=93...(16) H VAL 32 + QD1 LEU 29 OK 56 91 90 68 5.2-7.2 4.0/1305=28...(10) H ARG 79 - QD1 LEU 29 far 0 100 0 - 8.4-11.2 H VAL 54 - QD1 LEU 29 far 0 98 0 - 8.8-11.7 Violated in 3 structures by 0.10 A. Peak 12050 from cnoeabs.peaks (8.50, 0.64, 24.70 ppm; 3.93 A): 1 out of 5 assignments used, quality = 0.50: H THR 31 + QD2 LEU 29 OK 50 100 55 91 4.0-6.1 6491/1302=38...(14) H VAL 32 - QD2 LEU 29 far 0 92 0 - 5.7-7.2 H VAL 54 - QD2 LEU 29 far 0 99 0 - 8.4-11.7 H ARG 79 - QD2 LEU 29 far 0 100 0 - 8.5-11.4 H LYS 53 - QD2 LEU 29 far 0 71 0 - 9.6-13.0 Violated in 20 structures by 1.23 A. Peak 12051 from cnoeabs.peaks (3.87, 0.46, 24.70 ppm; 4.21 A): 3 out of 6 assignments used, quality = 0.99: HA2 GLY 100 + QD1 LEU 3 OK 99 100 100 99 2.4-4.6 1.8/10089=62...(17) HA3 GLY 101 + QD1 LEU 3 OK 41 89 50 93 4.8-7.3 3.0/10104=34...(22) HA2 GLY 101 + QD1 LEU 3 OK 28 100 30 92 4.1-7.3 3.0/10104=34, ~10105=23...(20) HA LYS 94 - QD1 LEU 3 far 0 100 0 - 6.2-7.7 HB2 SER 102 - QD1 LEU 3 far 0 88 0 - 7.3-9.7 HB3 SER 49 - QD1 LEU 3 far 0 97 0 - 9.6-13.3 Violated in 0 structures by 0.00 A. Peak 12053 from cnoeabs.peaks (3.87, 0.26, 24.10 ppm; 4.63 A): 3 out of 6 assignments used, quality = 1.00: HA2 GLY 100 + QD2 LEU 3 OK 99 100 100 100 1.8-4.3 1.8/10090=73, ~10089=53...(21) HA2 GLY 101 + QD2 LEU 3 OK 96 100 100 97 2.0-5.5 1.8/10108=38, ~10104=35...(23) HA3 GLY 101 + QD2 LEU 3 OK 86 89 100 97 2.7-5.1 10108=40, ~10104=35...(22) HB2 SER 102 - QD2 LEU 3 far 4 88 5 - 5.4-8.0 HA LYS 94 - QD2 LEU 3 far 0 100 0 - 6.5-8.1 HB3 SER 49 - QD2 LEU 3 far 0 96 0 - 8.8-12.0 Violated in 0 structures by 0.00 A. Peak 12055 from cnoeabs.peaks (4.61, 1.94, 34.50 ppm; 4.35 A): 2 out of 6 assignments used, quality = 1.00: HA ILE 8 + HB VAL 32 OK 100 100 100 100 2.9-4.2 10163/2.1=67...(15) HB THR 34 + HB3 LYS 33 OK 53 59 100 90 4.6-5.1 2.1/8757=42, ~10522=40...(6) HB THR 34 - HB2 LYS 33 far 6 63 10 - 5.7-6.7 HA ILE 8 - HB2 LYS 33 far 0 70 0 - 6.1-7.4 HA ILE 8 - HB3 LYS 33 far 0 65 0 - 6.9-8.1 HB THR 34 - HB VAL 32 far 0 96 0 - 7.2-8.0 Violated in 0 structures by 0.00 A. Peak 12056 from cnoeabs.peaks (0.79, 1.94, 34.50 ppm; 4.04 A): 4 out of 30 assignments used, quality = 1.00: QG2 ILE 8 + HB VAL 32 OK 100 100 100 100 2.0-3.4 12205=82, 3.0/12200=68...(24) QD1 LEU 6 + HB VAL 32 OK 80 92 95 92 3.9-6.5 ~10160=35, ~10337=25...(17) QD2 LEU 38 + HB VAL 32 OK 69 73 100 94 1.9-4.4 ~8944=26, 3.1/10158=20...(28) QG2 ILE 7 + HB VAL 32 OK 61 99 75 82 4.8-5.9 4.0/8270=36...(9) QG2 ILE 8 - HB2 LYS 33 poor 15 69 70 31 4.7-6.0 10647/3.0=14, ~10519=7...(6) QG2 ILE 8 - HB3 LYS 33 poor 13 64 20 - 5.2-6.4 QD2 LEU 38 - HB3 LYS 33 far 2 40 5 - 5.4-8.8 QD1 LEU 70 - HB VAL 32 far 0 85 0 - 5.8-8.7 QD2 LEU 38 - HB2 LYS 33 far 0 44 0 - 5.9-9.2 QD2 LEU 42 - HB VAL 32 far 0 87 0 - 6.0-8.2 QD2 LEU 70 - HB VAL 32 far 0 95 0 - 6.6-9.7 QD1 ILE 15 - HB VAL 32 far 0 75 0 - 7.0-8.1 QD1 ILE 15 - HB2 LYS 33 far 0 45 0 - 7.2-8.1 QG2 ILE 7 - HB2 LYS 33 far 0 68 0 - 7.3-8.4 HG13 ILE 15 - HB VAL 32 far 0 65 0 - 7.4-8.3 QG2 ILE 15 - HB VAL 32 far 0 93 0 - 7.5-8.2 QG2 ILE 15 - HB2 LYS 33 far 0 60 0 - 8.0-9.2 QG2 ILE 7 - HB3 LYS 33 far 0 63 0 - 8.1-9.1 QD1 LEU 6 - HB3 LYS 33 far 0 54 0 - 8.1-10.4 QG1 VAL 54 - HB VAL 32 far 0 79 0 - 8.2-9.2 QD2 LEU 57 - HB VAL 32 far 0 100 0 - 8.3-8.9 QD1 LEU 70 - HB3 LYS 33 far 0 49 0 - 8.3-10.9 QD1 ILE 15 - HB3 LYS 33 far 0 41 0 - 8.5-9.3 HG13 ILE 15 - HB2 LYS 33 far 0 38 0 - 8.5-9.6 QD1 LEU 6 - HB2 LYS 33 far 0 59 0 - 8.5-10.5 QG2 ILE 15 - HB3 LYS 33 far 0 55 0 - 9.1-10.0 QD2 LEU 70 - HB3 LYS 33 far 0 57 0 - 9.2-11.7 QD1 LEU 70 - HB2 LYS 33 far 0 53 0 - 9.2-11.8 QD1 LEU 57 - HB VAL 32 far 0 63 0 - 9.5-10.2 HG13 ILE 15 - HB3 LYS 33 far 0 35 0 - 9.7-10.7 Violated in 0 structures by 0.00 A. Peak 12057 from cnoeabs.peaks (7.53, 3.89, 59.20 ppm; 3.93 A): 1 out of 4 assignments used, quality = 0.97: H LEU 38 + HA GLU 35 OK 97 100 100 97 3.0-3.9 6585=43, 8941/3.6=42...(20) H LEU 38 - HA LYS 40 far 0 56 0 - 6.7-6.9 H ILE 76 - HA GLU 43 far 0 72 0 - 6.8-8.1 H ILE 52 - HA GLU 43 far 0 57 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 12058 from cnoeabs.peaks (1.68, 2.08, 29.40 ppm; 3.50 A): 4 out of 33 assignments used, quality = 0.96: HD2 LYS 20 + HB2 GLU 16 OK 63 90 90 77 2.8-5.3 12145=23, 1.8/12145=15...(25) HD3 LYS 66 + HB3 GLU 35 OK 58 91 80 80 2.7-6.8 ~12289=13, 1.8/12288=11...(33) HG LEU 70 + HB3 GLU 35 OK 57 94 75 81 3.3-5.8 2.1/10278=13, ~9549=12...(26) HD3 LYS 20 + HB2 GLU 16 OK 40 90 60 75 3.3-5.8 1.8/12145=19, 12146=18...(23) HD2 LYS 39 - HB3 GLU 35 poor 17 84 20 - 3.4-8.1 HD3 LYS 12 - HB2 GLU 16 far 12 79 15 - 4.2-9.5 HD2 LYS 12 - HB2 GLU 16 far 12 79 15 - 4.4-7.9 HG3 LYS 20 - HB2 GLU 16 far 9 90 10 - 4.8-6.7 HD3 LYS 47 - HB3 GLU 43 far 8 83 10 - 4.8-8.0 HB2 LYS 40 - HB3 GLU 43 far 8 51 15 - 4.9-6.6 HB3 LEU 70 - HB3 GLU 35 far 7 67 10 - 4.5-7.5 HD3 LYS 39 - HB3 GLU 35 far 3 59 5 - 4.9-8.0 HB3 LYS 40 - HB3 GLU 43 far 0 83 0 - 5.0-7.0 HD2 LYS 47 - HB3 GLU 43 far 0 83 0 - 5.1-8.4 HD2 LYS 39 - HB3 GLU 43 far 0 63 0 - 5.9-9.7 HD3 LYS 24 - HB2 GLU 23 far 0 77 0 - 6.1-8.5 HD3 LYS 13 - HB2 GLU 16 far 0 76 0 - 6.2-9.7 HD2 LYS 73 - HB3 GLU 35 far 0 97 0 - 6.2-8.9 HD2 LYS 13 - HB2 GLU 16 far 0 79 0 - 6.3-9.9 HD3 LYS 39 - HB3 GLU 43 far 0 43 0 - 6.4-8.6 HG3 LYS 20 - HB2 GLU 23 far 0 84 0 - 6.6-8.2 HG12 ILE 15 - HB2 GLU 16 far 0 86 0 - 6.6-8.1 HD3 LYS 73 - HB3 GLU 35 far 0 96 0 - 7.0-10.4 HD3 LYS 90 - HB2 GLU 16 far 0 83 0 - 7.1-11.6 HD3 LYS 20 - HB2 GLU 23 far 0 84 0 - 7.1-9.9 HD2 LYS 24 - HB2 GLU 23 far 0 78 0 - 7.2-8.7 HD2 LYS 20 - HB2 GLU 23 far 0 85 0 - 7.5-9.3 HG2 PRO 86 - HB2 GLU 16 far 0 86 0 - 7.7-10.0 HB ILE 76 - HB3 GLU 43 far 0 48 0 - 8.1-9.6 HB2 LYS 40 - HB3 GLU 35 far 0 69 0 - 8.1-10.1 HB3 LEU 70 - HB3 GLU 43 far 0 49 0 - 8.2-9.7 HB3 LYS 40 - HB3 GLU 35 far 0 100 0 - 9.0-10.2 HG2 LYS 68 - HB3 GLU 35 far 0 61 0 - 9.1-14.0 Violated in 2 structures by 0.01 A. Peak 12060 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.99 A): 7 out of 24 assignments used, quality = 1.00: HB2 LYS 39 + HG2 GLU 35 OK 96 100 100 96 3.6-6.1 10560/10534=31, 10576=31...(20) HB2 LYS 39 + HG3 GLU 35 OK 96 100 100 96 4.0-5.9 10560/10534=31, 10576=30...(20) HB2 LYS 39 + HG2 GLU 43 OK 91 93 100 97 4.3-6.4 ~10574=46, ~10604=36...(16) HB2 LEU 42 + HG2 GLU 43 OK 89 92 100 96 3.7-5.3 6673/10591=65...(14) HG2 ARG 46 + HG2 GLU 43 OK 67 75 100 89 5.4-6.3 3.0/11072=45...(10) HB2 LYS 66 + HG3 GLU 35 OK 47 69 80 85 2.4-8.2 3.6/12289=34...(22) HB2 LYS 66 + HG2 GLU 35 OK 34 69 60 82 4.0-8.1 3.6/12289=28...(21) HG3 ARG 46 - HG3 GLU 75 far 6 41 15 - 5.4-9.5 HG3 ARG 46 - HG2 GLU 43 far 4 89 5 - 4.1-7.6 HB2 GLU 104 - HG2 GLU 99 far 2 38 5 - 6.4-12.1 HG3 ARG 46 - HG2 GLU 75 far 2 37 5 - 6.2-10.3 HG2 ARG 46 - HG3 GLU 75 far 0 33 0 - 6.8-10.3 HG2 ARG 46 - HG2 GLU 75 far 0 30 0 - 7.7-11.3 HB2 LEU 42 - HG3 GLU 35 far 0 99 0 - 8.2-11.4 HB2 LEU 42 - HG3 GLU 75 far 0 43 0 - 8.3-10.3 HB2 LYS 68 - HG3 GLU 35 far 0 61 0 - 8.5-13.4 HB2 LEU 42 - HG2 GLU 35 far 0 99 0 - 8.7-12.0 HB3 GLU 63 - HG3 GLU 35 far 0 89 0 - 9.0-12.7 HB ILE 93 - HG2 GLU 98 far 0 47 0 - 9.0-10.7 HB2 LEU 42 - HG2 GLU 75 far 0 40 0 - 9.1-11.6 HB2 LYS 68 - HG2 GLU 35 far 0 61 0 - 9.4-14.1 HB3 GLU 63 - HG2 GLU 35 far 0 89 0 - 9.6-12.6 HB ILE 93 - HG2 GLU 99 far 0 39 0 - 9.7-11.4 HB2 LYS 39 - HG3 GLU 75 far 0 44 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 12061 from cnoeabs.peaks (1.80, 2.20, 36.40 ppm; 4.99 A): 7 out of 24 assignments used, quality = 1.00: HB2 LYS 39 + HG2 GLU 35 OK 96 100 100 96 3.6-6.1 10560/10534=31, 10576=31...(20) HB2 LYS 39 + HG3 GLU 35 OK 96 100 100 96 4.0-5.9 10560/10534=31, 10576=30...(20) HB2 LYS 39 + HG2 GLU 43 OK 91 93 100 97 4.3-6.4 ~10574=46, ~10604=36...(16) HB2 LEU 42 + HG2 GLU 43 OK 89 92 100 96 3.7-5.3 6673/10591=65...(14) HG2 ARG 46 + HG2 GLU 43 OK 67 75 100 89 5.4-6.3 3.0/11072=45...(10) HB2 LYS 66 + HG3 GLU 35 OK 47 69 80 85 2.4-8.2 3.6/12289=34...(22) HB2 LYS 66 + HG2 GLU 35 OK 34 69 60 82 4.0-8.1 3.6/12289=28...(21) HG3 ARG 46 - HG3 GLU 75 far 6 41 15 - 5.4-9.5 HG3 ARG 46 - HG2 GLU 43 far 4 89 5 - 4.1-7.6 HB2 GLU 104 - HG2 GLU 99 far 2 38 5 - 6.4-12.1 HG3 ARG 46 - HG2 GLU 75 far 2 37 5 - 6.2-10.3 HG2 ARG 46 - HG3 GLU 75 far 0 33 0 - 6.8-10.3 HG2 ARG 46 - HG2 GLU 75 far 0 30 0 - 7.7-11.3 HB2 LEU 42 - HG3 GLU 35 far 0 99 0 - 8.2-11.4 HB2 LEU 42 - HG3 GLU 75 far 0 43 0 - 8.3-10.3 HB2 LYS 68 - HG3 GLU 35 far 0 61 0 - 8.5-13.4 HB2 LEU 42 - HG2 GLU 35 far 0 99 0 - 8.7-12.0 HB3 GLU 63 - HG3 GLU 35 far 0 89 0 - 9.0-12.7 HB ILE 93 - HG2 GLU 98 far 0 47 0 - 9.0-10.7 HB2 LEU 42 - HG2 GLU 75 far 0 40 0 - 9.1-11.6 HB2 LYS 68 - HG2 GLU 35 far 0 61 0 - 9.4-14.1 HB3 GLU 63 - HG2 GLU 35 far 0 89 0 - 9.6-12.6 HB ILE 93 - HG2 GLU 99 far 0 39 0 - 9.7-11.4 HB2 LYS 39 - HG3 GLU 75 far 0 44 0 - 10.0-12.4 Violated in 0 structures by 0.00 A. Peak 12063 from cnoeabs.peaks (2.18, 1.45, 40.80 ppm; 5.47 A): 2 out of 4 assignments used, quality = 0.87: HG2 GLU 35 + HB2 LEU 38 OK 64 94 70 98 3.3-8.5 2.9/1629=35, 4.1/1627=28...(29) HG3 GLU 35 + HB2 LEU 38 OK 64 94 70 98 3.3-8.9 2.9/1629=35, 4.1/1627=28...(29) HB2 GLU 63 - HB2 LEU 38 far 9 93 10 - 6.2-8.5 HG2 GLU 43 - HB2 LEU 38 far 0 99 0 - 8.3-9.3 Violated in 7 structures by 0.53 A. Peak 12065 from cnoeabs.peaks (6.83, 0.86, 23.60 ppm; 5.01 A): 2 out of 3 assignments used, quality = 1.00: QD TYR 41 + QD1 LEU 38 OK 99 100 100 99 4.2-6.2 2.5/10549=63...(26) QE TYR 41 + QD1 LEU 38 OK 66 85 80 97 5.3-7.0 4.4/10549=45...(23) HE21 GLN 72 - QD1 LEU 38 far 0 89 0 - 8.4-11.8 Violated in 9 structures by 0.13 A. Peak 12068 from cnoeabs.peaks (1.90, 0.86, 23.60 ppm; 3.81 A): 4 out of 10 assignments used, quality = 0.98: HG LEU 42 + QD1 LEU 38 OK 95 100 100 95 2.4-5.2 8921=41, 6675/8912=21...(28) HB ILE 8 + QD1 LEU 38 OK 34 100 45 76 4.2-8.3 12069/2.1=14, 294=14...(22) HB3 LYS 66 + QD1 LEU 38 OK 26 59 65 68 3.6-6.6 ~9517=21, 3.0/9513=12...(18) HB3 LYS 39 + QD1 LEU 38 OK 20 61 45 73 2.7-7.4 4.0/1665=26, ~10550=15...(17) HB VAL 54 - QD1 LEU 38 far 0 96 0 - 5.9-8.6 HB3 LYS 33 - QD1 LEU 38 far 0 96 0 - 6.2-9.3 HB3 LYS 68 - QD1 LEU 38 far 0 79 0 - 6.4-7.4 HB2 LYS 33 - QD1 LEU 38 far 0 95 0 - 6.6-10.0 HB2 GLU 43 - QD1 LEU 38 far 0 100 0 - 8.1-10.8 HB VAL 5 - QD1 LEU 38 far 0 59 0 - 8.7-12.2 Violated in 2 structures by 0.00 A. Peak 12069 from cnoeabs.peaks (1.90, 0.82, 25.50 ppm; 4.28 A): 7 out of 29 assignments used, quality = 0.99: HB ILE 8 + QD2 LEU 38 OK 73 100 90 81 4.1-6.1 ~12201=16, 294/2.1=16...(21) HG LEU 42 + QD1 LEU 70 OK 46 77 65 91 4.0-7.3 ~9544=41, ~9543=40...(20) HB3 LYS 66 + QD2 LEU 38 OK 46 58 85 92 2.1-6.4 3.0/9517=44, 3.0/9517=28...(22) HG LEU 42 + QD2 LEU 38 OK 43 100 45 95 3.1-6.4 12068/2.1=45...(27) HB3 LYS 39 + QD1 LEU 70 OK 40 41 100 99 2.2-4.7 3.0/10569=42, ~10822=40...(29) HB3 LYS 66 + QD1 LEU 70 OK 35 39 100 89 3.5-5.8 ~2892=23, 3.6/10782=17...(23) HB VAL 5 + QD2 LEU 57 OK 22 35 90 72 4.1-6.1 ~10695=14, ~10196=13...(15) HB3 LYS 39 - QD2 LEU 38 poor 18 61 30 - 5.3-7.4 HB3 LYS 33 - QD2 LEU 38 far 5 96 5 - 5.4-8.8 HB VAL 54 - QD2 LEU 38 far 0 96 0 - 5.9-9.9 HB2 LYS 33 - QD2 LEU 38 far 0 94 0 - 5.9-9.2 HB ILE 8 - QD2 LEU 57 far 0 70 0 - 6.1-7.0 HB3 LYS 68 - QD2 LEU 38 far 0 78 0 - 6.1-8.0 HB3 LYS 68 - QD1 LEU 70 far 0 54 0 - 6.4-7.9 HB VAL 54 - QD2 LEU 57 far 0 64 0 - 6.6-7.8 HB2 GLU 43 - QD1 LEU 70 far 0 76 0 - 7.2-9.6 HB ILE 8 - QD1 LEU 70 far 0 77 0 - 7.5-10.4 HB2 ARG 19 - QD2 LEU 57 far 0 69 0 - 7.7-10.3 HB3 ARG 19 - QD2 LEU 57 far 0 49 0 - 7.9-11.1 HB3 GLU 104 - QD2 LEU 57 far 0 47 0 - 7.9-14.3 HB3 LEU 14 - QD2 LEU 57 far 0 71 0 - 8.1-9.1 HB3 LYS 33 - QD1 LEU 70 far 0 71 0 - 8.3-10.9 HB2 LYS 94 - QD2 LEU 57 far 0 57 0 - 8.4-9.4 HB VAL 54 - QD1 LEU 70 far 0 71 0 - 8.4-10.6 HB3 LYS 68 - QD2 LEU 57 far 0 49 0 - 8.6-10.6 HG LEU 42 - QD2 LEU 57 far 0 70 0 - 8.8-11.0 HB VAL 5 - QD2 LEU 38 far 0 58 0 - 8.9-11.9 HB2 LYS 33 - QD1 LEU 70 far 0 69 0 - 9.2-11.8 HB2 GLU 43 - QD2 LEU 38 far 0 99 0 - 9.4-11.3 Violated in 0 structures by 0.00 A. Peak 12070 from cnoeabs.peaks (1.68, 0.86, 23.60 ppm; 4.33 A): 3 out of 16 assignments used, quality = 0.87: HG LEU 70 + QD1 LEU 38 OK 74 90 100 82 1.9-5.6 10959/2.1=33...(25) HB3 LEU 70 + QD1 LEU 38 OK 37 61 80 75 2.5-6.3 ~10959=19, ~3155=8...(23) HD3 LYS 66 + QD1 LEU 38 OK 20 87 35 67 4.4-8.6 ~9517=28, 10782/2.1=14...(14) HD2 LYS 39 - QD1 LEU 38 poor 17 88 40 48 4.1-7.6 6.0/1665=24...(11) HB3 LEU 6 - QD1 LEU 38 poor 13 79 60 28 3.6-7.2 10231=9, 1.8/10229=4...(10) HD3 LYS 39 - QD1 LEU 38 poor 11 65 45 39 4.2-8.1 6.0/1665=24, 3.6/12068=7...(7) HD2 LYS 73 - QD1 LEU 38 far 0 99 0 - 5.9-10.2 HB3 LYS 40 - QD1 LEU 38 far 0 100 0 - 6.0-7.2 HB2 LYS 40 - QD1 LEU 38 far 0 75 0 - 6.0-7.6 HB ILE 76 - QD1 LEU 38 far 0 71 0 - 6.5-9.3 HD3 LYS 73 - QD1 LEU 38 far 0 98 0 - 6.7-11.2 HG2 LYS 68 - QD1 LEU 38 far 0 67 0 - 6.9-9.0 HD2 LYS 68 - QD1 LEU 38 far 0 85 0 - 8.1-10.4 HD3 LYS 68 - QD1 LEU 38 far 0 84 0 - 8.1-9.5 HG12 ILE 15 - QD1 LEU 38 far 0 95 0 - 9.1-13.1 HB3 ARG 79 - QD1 LEU 38 far 0 88 0 - 9.5-11.1 Violated in 11 structures by 0.19 A. Peak 12071 from cnoeabs.peaks (1.65, 0.82, 25.50 ppm; 4.26 A): 5 out of 31 assignments used, quality = 0.98: HD2 LYS 39 + QD1 LEU 70 OK 74 77 100 96 1.9-4.3 3.0/10569=42...(24) HD3 LYS 39 + QD1 LEU 70 OK 71 75 100 95 2.6-4.7 3.0/10569=42, 11009=26...(22) HD2 LYS 73 + QD1 LEU 70 OK 49 69 90 79 3.7-6.5 10854/2.1=27, ~10854=20...(12) HB3 LEU 6 + QD2 LEU 57 OK 40 71 100 57 4.2-5.0 8203/4.6=17...(11) HD3 LYS 73 + QD1 LEU 70 OK 25 71 45 79 4.9-6.9 10854/2.1=28, ~10854=20...(12) HB3 LEU 6 - QD2 LEU 38 poor 8 100 25 34 4.0-6.6 10672/10674=11...(8) HD2 LYS 39 - QD2 LEU 38 far 5 100 5 - 5.6-7.7 HB2 LYS 40 - QD1 LEU 70 far 4 77 5 - 5.7-7.7 HB3 ARG 79 - QD2 LEU 57 far 0 70 0 - 5.8-7.3 HD3 LYS 39 - QD2 LEU 38 far 0 99 0 - 5.9-8.2 HB3 LYS 40 - QD2 LEU 38 far 0 71 0 - 6.1-7.6 HB3 LYS 40 - QD1 LEU 70 far 0 48 0 - 6.2-8.4 HB2 LYS 40 - QD2 LEU 38 far 0 100 0 - 6.7-7.8 HB ILE 76 - QD2 LEU 38 far 0 99 0 - 6.8-10.6 HG2 LYS 68 - QD1 LEU 70 far 0 76 0 - 7.1-9.5 HG2 LYS 68 - QD2 LEU 38 far 0 99 0 - 7.1-9.4 HD2 LYS 68 - QD1 LEU 70 far 0 77 0 - 7.3-10.0 HB3 ARG 91 - QD2 LEU 57 far 0 44 0 - 7.4-9.0 HB3 LEU 6 - QD1 LEU 70 far 0 77 0 - 7.6-10.5 HD2 LYS 73 - QD2 LEU 38 far 0 94 0 - 7.6-10.1 HB ILE 76 - QD1 LEU 70 far 0 76 0 - 7.6-9.2 HB3 LYS 53 - QD2 LEU 57 far 0 40 0 - 8.1-10.0 HD3 LYS 68 - QD2 LEU 38 far 0 100 0 - 8.1-10.6 HG2 LYS 68 - QD2 LEU 57 far 0 69 0 - 8.2-11.8 HD2 LYS 94 - QD2 LEU 57 far 0 52 0 - 8.2-10.4 HD3 LYS 73 - QD2 LEU 38 far 0 96 0 - 8.2-11.2 HD3 LYS 68 - QD1 LEU 70 far 0 78 0 - 8.5-9.8 HD2 LYS 68 - QD2 LEU 38 far 0 100 0 - 8.7-10.4 HB3 ARG 79 - QD2 LEU 38 far 0 100 0 - 8.8-12.5 HD3 LYS 68 - QD2 LEU 57 far 0 71 0 - 9.0-10.7 HG3 LYS 20 - QD2 LEU 57 far 0 55 0 - 9.4-12.7 Violated in 0 structures by 0.00 A. Peak 12072 from cnoeabs.peaks (2.01, 1.34, 25.60 ppm; 4.56 A): 1 out of 7 assignments used, quality = 0.99: QE MET 74 + HG2 LYS 39 OK 99 99 100 100 1.9-4.6 9605/10570=74...(25) HB2 GLU 35 - HG2 LYS 39 far 0 100 0 - 6.1-8.8 HB2 GLU 37 - HG2 LYS 39 far 0 71 0 - 6.3-10.0 QE MET 74 - HG3 LYS 68 far 0 64 0 - 8.1-12.1 HB2 ARG 46 - HG2 LYS 39 far 0 65 0 - 8.2-12.1 HB2 GLU 44 - HG2 LYS 39 far 0 98 0 - 8.4-11.0 HB3 GLU 44 - HG2 LYS 39 far 0 98 0 - 9.0-12.6 Violated in 1 structures by 0.00 A. Peak 12073 from cnoeabs.peaks (1.99, 1.44, 25.60 ppm; 3.85 A): 1 out of 10 assignments used, quality = 0.97: QE MET 74 + HG3 LYS 39 OK 97 98 100 99 1.9-4.4 9602=62, 9609/3.9=45...(27) HB2 GLU 35 - HG3 LYS 39 far 5 93 5 - 4.9-9.1 HB2 LYS 73 - HG3 LYS 39 far 4 75 5 - 5.2-7.7 HB3 MET 74 - HG3 LYS 39 far 0 84 0 - 5.7-9.3 HB2 GLU 37 - HG3 LYS 39 far 0 98 0 - 6.6-8.9 HB3 LYS 73 - HG3 LYS 39 far 0 73 0 - 6.7-8.7 HB3 ARG 46 - HG3 LYS 39 far 0 79 0 - 7.6-11.8 HB2 ARG 46 - HG3 LYS 39 far 0 97 0 - 8.1-13.1 HB3 GLU 44 - HG3 LYS 39 far 0 98 0 - 8.3-12.6 HB2 GLU 44 - HG3 LYS 39 far 0 98 0 - 8.6-10.9 Violated in 3 structures by 0.05 A. Peak 12074 from cnoeabs.peaks (6.52, 2.29, 43.80 ppm; 6.35 A): 1 out of 1 assignment used, quality = 0.98: QE PHE 45 + HB2 TYR 4 OK 98 98 100 100 3.3-4.2 12077/1.8=92...(13) Violated in 0 structures by 0.00 A. Peak 12076 from cnoeabs.peaks (6.51, 2.46, 43.80 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 45 + HB3 TYR 4 OK 100 100 100 100 2.7-3.8 2.2/8127=82...(11) Violated in 0 structures by 0.00 A. Peak 12077 from cnoeabs.peaks (6.51, 2.46, 43.80 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: QE PHE 45 + HB3 TYR 4 OK 100 100 100 100 2.7-3.8 2.2/8127=82...(11) Violated in 0 structures by 0.00 A. Peak 12082 from cnoeabs.peaks (1.46, 0.69, 25.60 ppm; 3.66 A): 4 out of 26 assignments used, quality = 1.00: HB2 LEU 38 + QD1 LEU 42 OK 96 100 100 97 2.3-5.1 12083/2.1=31...(35) HG LEU 38 + QD1 LEU 42 OK 93 100 100 93 2.4-5.0 12083/2.1=21, ~12068=21...(29) HG3 LYS 39 + QD1 LEU 42 OK 73 92 80 99 3.1-5.3 1.8/10570=81...(15) HG12 ILE 7 + QD1 LEU 14 OK 51 57 100 90 3.5-4.1 ~11079=30, ~12172=20...(23) HG3 LYS 13 - QD1 LEU 14 far 3 55 5 - 5.0-6.5 HG13 ILE 76 - QD1 LEU 42 far 0 86 0 - 5.2-6.2 HG2 LYS 13 - QD1 LEU 14 far 0 68 0 - 5.3-5.5 HG2 LYS 73 - QD1 LEU 42 far 0 73 0 - 5.8-7.9 HG3 LYS 66 - QD1 LEU 42 far 0 71 0 - 6.3-9.7 HG3 ARG 91 - QD1 LEU 14 far 0 92 0 - 6.6-7.1 HB2 ARG 91 - QD1 LEU 14 far 0 74 0 - 6.9-8.3 HG LEU 29 - QD1 LEU 14 far 0 76 0 - 7.3-8.7 HD2 LYS 40 - QD1 LEU 42 far 0 100 0 - 7.4-9.2 HG2 LYS 66 - QD1 LEU 42 far 0 75 0 - 7.5-9.9 QB ALA 22 - QD1 LEU 14 far 0 76 0 - 7.6-8.9 HG2 LYS 20 - QD1 LEU 14 far 0 94 0 - 7.7-9.7 HD3 LYS 40 - QD1 LEU 42 far 0 100 0 - 7.8-8.7 HD2 LYS 82 - QD1 LEU 14 far 0 94 0 - 7.9-9.8 HG13 ILE 52 - QD1 LEU 42 far 0 100 0 - 8.0-11.1 HG2 LYS 12 - QD1 LEU 14 far 0 88 0 - 8.4-9.8 HB3 LEU 64 - QD1 LEU 14 far 0 68 0 - 8.4-9.4 HG LEU 64 - QD1 LEU 42 far 0 91 0 - 8.8-10.2 HB3 LEU 64 - QD1 LEU 42 far 0 76 0 - 8.9-10.8 HG2 LYS 47 - QD1 LEU 42 far 0 75 0 - 9.1-12.1 HD2 LYS 53 - QD1 LEU 42 far 0 100 0 - 9.4-11.3 HG2 LYS 53 - QD1 LEU 42 far 0 100 0 - 9.9-12.6 Violated in 0 structures by 0.00 A. Peak 12083 from cnoeabs.peaks (1.46, 0.77, 21.90 ppm; 3.86 A): 3 out of 20 assignments used, quality = 0.77: HB2 LEU 38 + QD2 LEU 42 OK 54 99 60 91 3.2-6.6 12082/2.1=23...(26) HG LEU 38 + QD2 LEU 42 OK 36 100 40 91 3.9-6.6 ~12068=23, 12082/2.1=22...(22) HG13 ILE 76 + QD2 LEU 42 OK 21 86 25 99 5.0-6.2 1.8/10599=70, ~9667=43...(28) HG3 LYS 39 - QD2 LEU 42 far 5 92 5 - 5.1-7.5 HG13 ILE 52 - QD2 LEU 42 far 0 100 0 - 5.9-9.2 HD2 LYS 40 - QD2 LEU 42 far 0 100 0 - 6.6-10.3 HD3 LYS 40 - QD2 LEU 42 far 0 99 0 - 6.7-9.8 HD2 LYS 53 - QD2 LEU 42 far 0 100 0 - 7.4-10.2 HG3 LYS 66 - QD2 LEU 42 far 0 70 0 - 7.7-11.1 HG2 LYS 53 - QD2 LEU 42 far 0 100 0 - 7.8-10.9 HG2 LYS 73 - QD2 LEU 42 far 0 72 0 - 8.1-10.0 HG LEU 29 - QD2 LEU 42 far 0 84 0 - 8.2-10.8 HG2 LYS 47 - QD2 LEU 42 far 0 74 0 - 8.6-11.9 HG2 LYS 66 - QD2 LEU 42 far 0 74 0 - 8.6-11.3 QB ALA 22 - QD2 LEU 42 far 0 84 0 - 8.7-9.6 HG3 LYS 53 - QD2 LEU 42 far 0 99 0 - 8.7-11.4 HB3 LEU 64 - QD2 LEU 42 far 0 76 0 - 8.9-11.1 HG LEU 64 - QD2 LEU 42 far 0 91 0 - 9.0-10.6 HG12 ILE 7 - QD2 LEU 42 far 0 64 0 - 9.5-11.0 HB2 LEU 27 - QD2 LEU 42 far 0 100 0 - 10.0-11.4 Violated in 15 structures by 0.36 A. Peak 12084 from cnoeabs.peaks (3.31, 3.87, 59.10 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.98: HD2 ARG 46 + HA GLU 43 OK 98 98 100 100 3.3-4.2 1.8/10171=96, 10170=76...(23) HD2 ARG 46 - HA LYS 40 far 0 96 0 - 7.6-9.1 Violated in 0 structures by 0.00 A. Peak 12085 from cnoeabs.peaks (3.19, 3.88, 59.10 ppm; 4.91 A): 2 out of 4 assignments used, quality = 1.00: HD3 ARG 46 + HA GLU 43 OK 100 100 100 100 1.9-3.5 10171=99, 1.8/12084=72...(20) HB3 TRP 92 + HA ARG 91 OK 29 98 30 98 5.7-6.6 7465/3.6=78, ~10983=35...(13) HD3 ARG 46 - HA LYS 40 poor 6 87 25 29 6.3-8.4 9607/9610=14...(3) HB2 HIS 106 - HA ARG 91 far 0 98 0 - 8.6-23.7 Violated in 0 structures by 0.00 A. Peak 12086 from cnoeabs.peaks (1.82, 3.88, 59.10 ppm; 3.85 A): 9 out of 15 assignments used, quality = 1.00: HG2 ARG 46 + HA GLU 43 OK 98 100 100 98 1.9-4.1 3.0/10171=49, 10172=41...(21) HB2 LEU 42 + HA GLU 43 OK 93 97 100 96 3.9-4.2 6687/2.9=39, ~6688=35...(23) HB3 LYS 90 + HA ARG 91 OK 86 94 95 96 4.2-5.6 7433/3.0=33, ~7435=25...(26) HG3 ARG 46 + HA GLU 43 OK 69 71 100 97 2.3-4.4 3.0/10171=49...(19) HB ILE 93 + HA ARG 91 OK 66 91 100 72 4.6-5.3 7507/7502=26...(12) HB2 LYS 90 + HA ARG 91 OK 56 97 60 96 3.9-5.6 7433/3.0=37, ~7435=25...(27) HB2 LYS 39 + HA GLU 35 OK 41 82 60 83 4.7-6.1 8853/12057=31...(15) HB2 LYS 39 + HA LYS 40 OK 32 73 45 99 4.2-5.6 6620/2.9=57, ~6621=41...(39) HB2 LEU 42 + HA LYS 40 OK 29 82 60 60 5.1-5.7 4.6/6682=20...(11) HB2 GLU 104 - HA ARG 91 far 5 96 5 - 4.9-18.5 HG2 ARG 46 - HA LYS 40 far 0 86 0 - 6.7-9.1 HB2 LYS 39 - HA GLU 43 far 0 89 0 - 7.0-8.2 HG3 ARG 46 - HA LYS 40 far 0 56 0 - 7.4-9.7 HB2 GLU 88 - HA ARG 91 far 0 96 0 - 7.9-8.3 HB2 LEU 42 - HA GLU 35 far 0 92 0 - 8.3-10.2 Violated in 0 structures by 0.00 A. Peak 12087 from cnoeabs.peaks (1.79, 3.88, 59.10 ppm; 3.80 A): 8 out of 18 assignments used, quality = 1.00: HG3 ARG 46 + HA GLU 43 OK 98 100 100 98 2.3-4.4 3.0/10171=48, 10173=36...(20) HB2 LEU 42 + HA GLU 43 OK 90 95 100 95 3.9-4.2 6687/2.9=37, ~6688=34...(24) HB ILE 93 + HA ARG 91 OK 67 95 100 71 4.6-5.3 7507/7502=26...(13) HG2 ARG 46 + HA GLU 43 OK 65 67 100 97 1.9-4.1 3.0/10171=48...(21) HB2 LYS 66 + HA GLU 35 OK 55 80 95 73 3.0-5.7 2884=16, 1.8/2896=13...(23) HB2 LYS 90 + HA ARG 91 OK 45 86 55 96 3.9-5.6 7433/3.0=32, ~7435=24...(26) HB2 LYS 39 + HA GLU 35 OK 43 94 55 83 4.7-6.1 10560/4.9=33...(15) HB2 LYS 39 + HA LYS 40 OK 25 85 30 99 4.2-5.6 6620/2.9=62, ~6621=39...(38) HB2 LEU 42 - HA LYS 40 poor 19 78 40 61 5.1-5.7 4.6/6682=19, 8883/3.6=18...(12) HB2 GLU 104 - HA ARG 91 far 4 89 5 - 4.9-18.5 HG2 ARG 46 - HA LYS 40 far 0 52 0 - 6.7-9.1 HB3 GLU 63 - HA GLU 35 far 0 92 0 - 6.8-9.4 HB2 LYS 39 - HA GLU 43 far 0 99 0 - 7.0-8.2 HG3 ARG 46 - HA LYS 40 far 0 87 0 - 7.4-9.7 HB2 GLU 88 - HA ARG 91 far 0 89 0 - 7.9-8.3 HB2 LEU 42 - HA GLU 35 far 0 88 0 - 8.3-10.2 HB VAL 78 - HA GLU 43 far 0 99 0 - 9.1-10.5 HB ILE 56 - HA GLU 35 far 0 75 0 - 9.4-10.9 Violated in 0 structures by 0.00 A. Peak 12088 from cnoeabs.peaks (1.49, 3.92, 58.90 ppm; 4.11 A): 1 out of 4 assignments used, quality = 0.67: HG2 LYS 47 + HA GLU 44 OK 67 90 75 100 2.2-6.6 1.8/12089=70...(21) HD3 LYS 40 - HA GLU 44 far 4 71 5 - 5.3-10.1 HD2 LYS 40 - HA GLU 44 far 0 70 0 - 6.8-9.3 HG13 ILE 52 - HA GLU 44 far 0 58 0 - 8.3-10.4 Violated in 11 structures by 0.67 A. Peak 12089 from cnoeabs.peaks (1.62, 3.92, 58.90 ppm; 4.34 A): 1 out of 4 assignments used, quality = 0.90: HG3 LYS 47 + HA GLU 44 OK 90 90 100 100 2.4-5.3 1.8/12088=83, 10615=65...(26) HB2 LYS 40 - HA GLU 44 far 0 70 0 - 7.7-9.3 HB ILE 76 - HA GLU 44 far 0 73 0 - 9.4-10.3 HD2 LYS 39 - HA GLU 44 far 0 57 0 - 9.8-13.6 Violated in 7 structures by 0.17 A. Peak 12090 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.91 A): 2 out of 7 assignments used, quality = 0.98: HD2 LYS 47 + HA GLU 44 OK 88 90 100 98 2.2-5.2 3.0/12088=55...(27) HD3 LYS 47 + HA GLU 44 OK 84 90 95 98 2.0-5.5 3.0/12088=55...(25) HB3 LYS 40 - HA GLU 44 far 0 90 0 - 7.3-9.0 HB2 LYS 40 - HA GLU 44 far 0 57 0 - 7.7-9.3 HB ILE 76 - HA GLU 44 far 0 53 0 - 9.4-10.3 HB ILE 52 - HA GLU 44 far 0 87 0 - 9.6-10.6 HD2 LYS 39 - HA GLU 44 far 0 70 0 - 9.8-13.6 Violated in 1 structures by 0.04 A. Peak 12091 from cnoeabs.peaks (1.68, 3.92, 58.90 ppm; 3.91 A): 2 out of 7 assignments used, quality = 0.98: HD2 LYS 47 + HA GLU 44 OK 88 90 100 98 2.2-5.2 3.0/12088=55...(27) HD3 LYS 47 + HA GLU 44 OK 84 90 95 98 2.0-5.5 3.0/12088=55...(25) HB3 LYS 40 - HA GLU 44 far 0 90 0 - 7.3-9.0 HB2 LYS 40 - HA GLU 44 far 0 57 0 - 7.7-9.3 HB ILE 76 - HA GLU 44 far 0 53 0 - 9.4-10.3 HB ILE 52 - HA GLU 44 far 0 87 0 - 9.6-10.6 HD2 LYS 39 - HA GLU 44 far 0 70 0 - 9.8-13.6 Violated in 1 structures by 0.04 A. Peak 12097 from cnoeabs.peaks (1.53, 6.14, 127.50 ppm; 6.50 A): 3 out of 8 assignments used, quality = 1.00: HG3 ARG 30 + HZ PHE 45 OK 100 100 100 100 4.0-5.9 1.8/8701=97, 3.0/8707=90...(8) HG LEU 6 + HZ PHE 45 OK 100 100 100 100 3.8-6.0 2.1/8214=100...(17) HB3 GLU 28 + HZ PHE 45 OK 31 71 100 43 4.2-6.0 1343/8701=19...(4) HG LEU 2 - HZ PHE 45 far 10 96 10 - 7.5-11.8 HG12 ILE 56 - HZ PHE 45 far 5 100 5 - 7.6-10.0 HB ILE 7 - HZ PHE 45 far 0 99 0 - 9.0-10.9 HG2 LYS 47 - HZ PHE 45 far 0 59 0 - 9.1-13.2 HB2 LEU 3 - HZ PHE 45 far 0 88 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 12098 from cnoeabs.peaks (0.88, 2.98, 36.70 ppm; 5.53 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 76 + HB2 PHE 45 OK 100 100 100 100 2.0-4.4 9632/2.5=78, ~9642=53...(25) QG2 ILE 76 + HB3 PHE 45 OK 94 94 100 100 2.0-4.7 9632/2.5=78, ~9642=53...(26) QD1 LEU 2 + HB2 PHE 45 OK 45 100 90 50 3.9-7.9 10640/9174=19...(8) QD1 LEU 2 + HB3 PHE 45 OK 40 94 80 53 5.3-7.8 10640/9174=20...(9) QD1 LEU 38 - HB2 PHE 45 far 0 91 0 - 7.3-10.8 QD1 LEU 38 - HB3 PHE 45 far 0 83 0 - 7.5-11.2 QG1 VAL 32 - HB2 PHE 45 far 0 82 0 - 9.8-12.1 QG1 VAL 32 - HB3 PHE 45 far 0 73 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 12099 from cnoeabs.peaks (0.88, 2.97, 36.70 ppm; 5.56 A): 4 out of 8 assignments used, quality = 1.00: QG2 ILE 76 + HB3 PHE 45 OK 100 100 100 100 2.0-4.7 9632/2.5=79, ~9642=54...(26) QG2 ILE 76 + HB2 PHE 45 OK 94 94 100 100 2.0-4.4 9632/2.5=79, ~9642=54...(25) QD1 LEU 2 + HB3 PHE 45 OK 47 100 80 59 5.3-7.8 10640/9174=21...(10) QD1 LEU 2 + HB2 PHE 45 OK 45 94 90 53 3.9-7.9 10640/9174=20...(8) QD1 LEU 38 - HB2 PHE 45 far 0 83 0 - 7.3-10.8 QD1 LEU 38 - HB3 PHE 45 far 0 91 0 - 7.5-11.2 QG1 VAL 32 - HB2 PHE 45 far 0 73 0 - 9.8-12.1 QG1 VAL 32 - HB3 PHE 45 far 0 82 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 12105 from cnoeabs.peaks (3.92, 2.97, 41.80 ppm; 4.23 A): 2 out of 19 assignments used, quality = 0.99: HA GLU 44 + HE2 LYS 47 OK 94 95 100 99 3.4-5.5 12088/3.8=54...(25) HA GLU 44 + HE3 LYS 47 OK 75 95 80 99 2.9-5.9 12088/3.8=54...(23) HB2 SER 85 - HE2 LYS 13 poor 9 89 30 32 5.1-8.7 ~9875=9, ~10956=8...(7) HA GLU 43 - HE2 LYS 47 far 3 61 5 - 5.6-9.2 HA GLU 43 - HE3 LYS 47 far 3 61 5 - 5.6-9.3 HB2 SER 85 - HE3 LYS 13 far 0 87 0 - 6.6-10.2 HA GLU 35 - HE2 LYS 73 far 0 52 0 - 7.0-12.8 HA ARG 91 - HE3 LYS 24 far 0 68 0 - 7.5-13.7 HB2 SER 97 - HE3 LYS 24 far 0 75 0 - 7.6-11.7 HB3 SER 9 - HE3 LYS 12 far 0 99 0 - 7.8-12.9 HB2 SER 97 - HE2 LYS 24 far 0 75 0 - 7.9-12.2 HA ARG 91 - HE2 LYS 24 far 0 68 0 - 8.1-13.8 HA GLU 35 - HE3 LYS 73 far 0 44 0 - 8.4-11.8 HA TYR 41 - HE3 LYS 47 far 0 99 0 - 8.7-11.8 HB3 SER 9 - HE2 LYS 13 far 0 97 0 - 8.7-10.4 HB3 SER 9 - HE3 LYS 13 far 0 95 0 - 8.7-11.1 HA TYR 41 - HE2 LYS 47 far 0 99 0 - 9.1-11.5 HA GLU 43 - HE3 LYS 73 far 0 38 0 - 9.6-14.1 HA GLU 43 - HE2 LYS 73 far 0 46 0 - 9.9-13.9 Violated in 11 structures by 0.14 A. Peak 12106 from cnoeabs.peaks (3.92, 2.97, 41.80 ppm; 4.23 A): 2 out of 19 assignments used, quality = 0.99: HA GLU 44 + HE2 LYS 47 OK 94 95 100 99 3.4-5.5 12088/3.8=54...(25) HA GLU 44 + HE3 LYS 47 OK 75 95 80 99 2.9-5.9 12088/3.8=54...(23) HB2 SER 85 - HE2 LYS 13 poor 9 89 30 32 5.1-8.7 ~9875=9, ~10956=8...(7) HA GLU 43 - HE2 LYS 47 far 3 61 5 - 5.6-9.2 HA GLU 43 - HE3 LYS 47 far 3 61 5 - 5.6-9.3 HB2 SER 85 - HE3 LYS 13 far 0 87 0 - 6.6-10.2 HA GLU 35 - HE2 LYS 73 far 0 52 0 - 7.0-12.8 HA ARG 91 - HE3 LYS 24 far 0 68 0 - 7.5-13.7 HB2 SER 97 - HE3 LYS 24 far 0 75 0 - 7.6-11.7 HB3 SER 9 - HE3 LYS 12 far 0 99 0 - 7.8-12.9 HB2 SER 97 - HE2 LYS 24 far 0 75 0 - 7.9-12.2 HA ARG 91 - HE2 LYS 24 far 0 68 0 - 8.1-13.8 HA GLU 35 - HE3 LYS 73 far 0 44 0 - 8.4-11.8 HA TYR 41 - HE3 LYS 47 far 0 99 0 - 8.7-11.8 HB3 SER 9 - HE2 LYS 13 far 0 97 0 - 8.7-10.4 HB3 SER 9 - HE3 LYS 13 far 0 95 0 - 8.7-11.1 HA TYR 41 - HE2 LYS 47 far 0 99 0 - 9.1-11.5 HA GLU 43 - HE3 LYS 73 far 0 38 0 - 9.6-14.1 HA GLU 43 - HE2 LYS 73 far 0 46 0 - 9.9-13.9 Violated in 11 structures by 0.14 A. Peak 12107 from cnoeabs.peaks (8.63, 0.73, 20.80 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.99: H LEU 55 + QG1 VAL 5 OK 98 98 100 100 3.4-4.5 9295/3.2=89...(20) H LEU 55 + QG2 VAL 78 OK 51 70 95 77 5.4-6.9 6901/4.3=30...(10) H ALA 18 - QG1 VAL 5 poor 11 76 35 41 6.1-7.1 ~8486=14, 2.9/12031=12...(6) Violated in 0 structures by 0.00 A. Peak 12108 from cnoeabs.peaks (8.63, 0.95, 22.20 ppm; 4.61 A): 1 out of 2 assignments used, quality = 1.00: H LEU 55 + QG2 VAL 5 OK 100 100 100 100 2.3-3.8 9295/3.2=83...(17) H ALA 18 - QG2 VAL 5 far 0 84 0 - 7.8-8.7 Violated in 0 structures by 0.00 A. Peak 12109 from cnoeabs.peaks (4.24, 0.78, 17.80 ppm; 6.05 A): 2 out of 2 assignments used, quality = 1.00: HA SER 49 + QG2 ILE 52 OK 100 100 100 100 1.8-5.1 9053/2.1=98, 3.0/9066=97...(38) HB THR 31 + QG2 ILE 8 OK 56 66 100 85 5.3-6.4 8337/4.1=67...(6) Violated in 0 structures by 0.00 A. Peak 12114 from cnoeabs.peaks (1.98, 1.46, 29.40 ppm; 4.83 A): 1 out of 7 assignments used, quality = 1.00: QE MET 1 + HD2 LYS 53 OK 100 100 100 100 3.5-5.0 8027/1.8=93...(24) HG3 GLU 88 - HB2 ARG 91 far 5 33 15 - 6.2-7.9 HB3 MET 1 - HD2 LYS 53 far 4 89 5 - 6.0-8.7 HB2 MET 1 - HD2 LYS 53 far 0 59 0 - 7.0-8.7 HB3 GLU 17 - HB2 ARG 91 far 0 47 0 - 7.8-10.0 HB2 GLU 17 - HB2 ARG 91 far 0 31 0 - 7.9-9.9 HB3 ARG 46 - HD2 LYS 53 far 0 90 0 - 9.7-14.3 Violated in 7 structures by 0.04 A. Peak 12115 from cnoeabs.peaks (1.98, 1.55, 29.40 ppm; 5.32 A): 2 out of 5 assignments used, quality = 1.00: QE MET 1 + HD3 LYS 53 OK 100 100 100 100 2.2-5.6 12114/1.8=91, 8027=85...(23) HB3 MET 1 + HD3 LYS 53 OK 29 89 35 95 4.7-9.0 4.2/8027=61...(15) HB2 MET 1 - HD3 LYS 53 poor 12 59 20 - 5.5-8.8 HB3 ARG 46 - HD3 LYS 53 far 0 90 0 - 9.5-15.1 HB2 ARG 46 - HD3 LYS 53 far 0 100 0 - 9.8-15.6 Violated in 1 structures by 0.01 A. Peak 12116 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 3.72 A): 4 out of 15 assignments used, quality = 1.00: QE MET 1 + HE2 LYS 53 OK 96 100 100 96 2.9-4.8 8029=50, 8027/3.0=50...(14) QE MET 1 + HE3 LYS 53 OK 96 100 100 96 1.9-4.7 8029=50, 8027/3.0=50...(15) HB3 GLU 17 + HE2 LYS 90 OK 56 65 100 87 1.9-5.1 10433/3.0=17...(40) HB2 GLU 17 + HE2 LYS 90 OK 33 44 100 76 2.0-4.9 12027/3.8=15, ~11024=15...(24) HB3 MET 1 - HE3 LYS 53 far 13 89 15 - 4.3-8.9 HB3 MET 1 - HE2 LYS 53 far 4 90 5 - 5.2-7.8 HB2 MET 1 - HE3 LYS 53 far 3 59 5 - 5.2-8.6 HB2 MET 1 - HE2 LYS 53 far 0 59 0 - 5.7-7.8 HG3 GLU 88 - HE3 LYS 82 far 0 25 0 - 6.9-11.3 HB2 GLU 62 - HE3 LYS 82 far 0 26 0 - 7.3-10.0 HB3 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.5-10.4 HG3 GLU 88 - HE2 LYS 90 far 0 47 0 - 9.0-11.4 HB2 LYS 24 - HE2 LYS 90 far 0 75 0 - 9.1-11.2 HB3 ARG 46 - HE2 LYS 53 far 0 91 0 - 9.1-16.5 HB2 ARG 46 - HE2 LYS 53 far 0 100 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 12117 from cnoeabs.peaks (1.98, 2.83, 41.80 ppm; 3.72 A): 4 out of 15 assignments used, quality = 1.00: QE MET 1 + HE2 LYS 53 OK 96 100 100 96 2.9-4.8 8029=50, 8027/3.0=50...(14) QE MET 1 + HE3 LYS 53 OK 96 100 100 96 1.9-4.7 8029=50, 8027/3.0=50...(15) HB3 GLU 17 + HE2 LYS 90 OK 56 65 100 87 1.9-5.1 10433/3.0=17...(40) HB2 GLU 17 + HE2 LYS 90 OK 33 44 100 76 2.0-4.9 12027/3.8=15, ~11024=15...(24) HB3 MET 1 - HE3 LYS 53 far 13 89 15 - 4.3-8.9 HB3 MET 1 - HE2 LYS 53 far 4 90 5 - 5.2-7.8 HB2 MET 1 - HE3 LYS 53 far 3 59 5 - 5.2-8.6 HB2 MET 1 - HE2 LYS 53 far 0 59 0 - 5.7-7.8 HG3 GLU 88 - HE3 LYS 82 far 0 25 0 - 6.9-11.3 HB2 GLU 62 - HE3 LYS 82 far 0 26 0 - 7.3-10.0 HB3 LYS 24 - HE2 LYS 90 far 0 75 0 - 8.5-10.4 HG3 GLU 88 - HE2 LYS 90 far 0 47 0 - 9.0-11.4 HB2 LYS 24 - HE2 LYS 90 far 0 75 0 - 9.1-11.2 HB3 ARG 46 - HE2 LYS 53 far 0 91 0 - 9.1-16.5 HB2 ARG 46 - HE2 LYS 53 far 0 100 0 - 9.8-16.5 Violated in 0 structures by 0.00 A. Peak 12119 from cnoeabs.peaks (3.89, 2.83, 41.80 ppm; 6.11 A): 7 out of 18 assignments used, quality = 1.00: HA3 GLY 101 + HE3 LYS 53 OK 96 100 100 96 2.0-6.1 12004=50, 12004/1.8=42...(20) HA3 GLY 101 + HE2 LYS 53 OK 96 100 100 96 2.0-6.3 12004=50, 12004/1.8=42...(19) HA ARG 91 + HE2 LYS 90 OK 84 85 100 99 5.2-7.5 ~7437=68, ~3978=59...(18) HA2 GLY 101 + HE2 LYS 53 OK 80 85 100 93 2.0-7.4 1.8/12004=42, ~12004=34...(19) HA2 GLY 101 + HE3 LYS 53 OK 79 85 100 93 2.2-5.8 1.8/12004=42, ~12004=34...(19) HA2 GLY 100 + HE3 LYS 53 OK 49 85 95 60 3.7-7.6 11028/5.0=17...(11) HA2 GLY 100 + HE2 LYS 53 OK 46 85 90 60 3.5-8.7 11028/5.0=17...(11) HB2 SER 102 - HE3 LYS 53 lone 7 100 45 15 3.5-11.3 10110/9197=7, 4.0/3990=3...(4) HB2 SER 85 - HE2 LYS 90 far 4 81 5 - 7.6-9.9 HB2 SER 102 - HE2 LYS 53 lone 3 100 35 8 4.9-11.2 4.0/3990=3, ~10114=2 HA ALA 89 - HE2 LYS 90 far 0 82 0 - 8.0-9.1 HA GLU 63 - HE3 LYS 82 far 0 38 0 - 8.1-10.6 HB3 SER 49 - HE2 LYS 53 far 0 70 0 - 8.3-13.0 HB3 SER 9 - HE3 LYS 82 far 0 26 0 - 8.6-12.7 HB2 SER 85 - HE3 LYS 82 far 0 45 0 - 9.1-14.0 HB3 SER 49 - HE3 LYS 53 far 0 69 0 - 9.1-13.1 HA LYS 94 - HE2 LYS 90 far 0 66 0 - 9.6-11.8 HA ALA 89 - HE3 LYS 82 far 0 46 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 12121 from cnoeabs.peaks (3.89, 2.83, 41.80 ppm; 6.11 A): 7 out of 18 assignments used, quality = 1.00: HA3 GLY 101 + HE3 LYS 53 OK 96 100 100 96 2.0-6.1 12004=50, 12004/1.8=42...(20) HA3 GLY 101 + HE2 LYS 53 OK 96 100 100 96 2.0-6.3 12004=50, 12004/1.8=42...(19) HA ARG 91 + HE2 LYS 90 OK 84 85 100 99 5.2-7.5 ~7437=68, ~3978=59...(18) HA2 GLY 101 + HE2 LYS 53 OK 80 85 100 93 2.0-7.4 1.8/12004=42, ~12004=34...(19) HA2 GLY 101 + HE3 LYS 53 OK 79 85 100 93 2.2-5.8 1.8/12004=42, ~12004=34...(19) HA2 GLY 100 + HE3 LYS 53 OK 49 85 95 60 3.7-7.6 11028/5.0=17...(11) HA2 GLY 100 + HE2 LYS 53 OK 46 85 90 60 3.5-8.7 11028/5.0=17...(11) HB2 SER 102 - HE3 LYS 53 lone 7 100 45 15 3.5-11.3 10110/9197=7, 4.0/3990=3...(4) HB2 SER 85 - HE2 LYS 90 far 4 81 5 - 7.6-9.9 HB2 SER 102 - HE2 LYS 53 lone 3 100 35 8 4.9-11.2 4.0/3990=3, ~10114=2 HA ALA 89 - HE2 LYS 90 far 0 82 0 - 8.0-9.1 HA GLU 63 - HE3 LYS 82 far 0 38 0 - 8.1-10.6 HB3 SER 49 - HE2 LYS 53 far 0 70 0 - 8.3-13.0 HB3 SER 9 - HE3 LYS 82 far 0 26 0 - 8.6-12.7 HB2 SER 85 - HE3 LYS 82 far 0 45 0 - 9.1-14.0 HB3 SER 49 - HE3 LYS 53 far 0 69 0 - 9.1-13.1 HA LYS 94 - HE2 LYS 90 far 0 66 0 - 9.6-11.8 HA ALA 89 - HE3 LYS 82 far 0 46 0 - 9.9-12.1 Violated in 0 structures by 0.00 A. Peak 12122 from cnoeabs.peaks (3.21, 1.46, 25.00 ppm; 4.68 A): 2 out of 6 assignments used, quality = 0.99: HB2 ASP 77 + HG2 LYS 53 OK 94 100 95 99 2.8-6.2 9673/3.9=60...(17) HB2 ASP 77 + HG3 LYS 53 OK 83 99 85 99 4.2-7.1 9673/3.9=60...(15) HD3 ARG 19 - HG2 LYS 20 poor 20 66 30 - 3.5-7.9 HD2 ARG 19 - HG2 LYS 20 far 10 66 15 - 4.7-7.8 HD2 ARG 19 - HG2 LYS 12 far 0 58 0 - 8.6-11.1 HD3 ARG 19 - HG2 LYS 12 far 0 58 0 - 9.4-11.5 Violated in 4 structures by 0.14 A. Peak 12123 from cnoeabs.peaks (2.63, 1.46, 25.00 ppm; 5.64 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 77 + HG2 LYS 53 OK 99 100 100 100 2.8-6.5 9678/3.9=77, ~10892=57...(16) HB3 ASP 77 + HG3 LYS 53 OK 93 98 95 100 4.4-7.3 9678/3.9=77, ~10892=57...(14) Violated in 1 structures by 0.01 A. Peak 12124 from cnoeabs.peaks (3.21, 1.47, 25.00 ppm; 4.74 A): 2 out of 8 assignments used, quality = 1.00: HB2 ASP 77 + HG2 LYS 53 OK 98 99 100 99 2.8-6.2 9673/3.9=61...(17) HB2 ASP 77 + HG3 LYS 53 OK 84 100 85 99 4.2-7.1 9673/3.9=61...(15) HD3 ARG 46 - HG2 LYS 47 poor 14 72 30 65 4.6-8.9 3.0/10178=22...(11) HD3 ARG 19 - HG2 LYS 20 poor 11 58 40 49 3.5-7.9 6305/4.9=15, 3.6/885=10...(10) HD2 ARG 19 - HG2 LYS 20 far 9 58 15 - 4.7-7.8 HD2 ARG 19 - HG2 LYS 12 far 0 42 0 - 8.6-11.1 HD3 ARG 46 - HG2 LYS 73 far 0 70 0 - 9.0-10.9 HD3 ARG 19 - HG2 LYS 12 far 0 42 0 - 9.4-11.5 Violated in 3 structures by 0.12 A. Peak 12125 from cnoeabs.peaks (2.63, 1.47, 25.00 ppm; 6.36 A): 3 out of 5 assignments used, quality = 1.00: HB3 ASP 77 + HG3 LYS 53 OK 100 100 100 100 4.4-7.3 9678/3.9=89, ~10892=70...(14) HB3 ASP 77 + HG2 LYS 53 OK 99 99 100 100 2.8-6.5 9678/3.9=89, ~10892=70...(16) HG3 MET 74 + HG2 LYS 73 OK 76 77 100 99 6.2-7.7 7229/7219=72...(11) HG3 MET 74 - HG2 LYS 47 far 0 79 0 - 8.7-13.5 HB3 TYR 41 - HG2 LYS 47 far 0 79 0 - 9.7-14.1 Violated in 0 structures by 0.00 A. Peak 12126 from cnoeabs.peaks (0.71, 1.89, 35.50 ppm; 3.14 A): 3 out of 12 assignments used, quality = 0.98: QG2 VAL 78 + HB VAL 54 OK 88 98 95 95 3.6-5.0 3.2/10348=38...(22) QG1 VAL 78 + HB VAL 54 OK 61 66 100 92 2.1-2.9 3.2/10348=38...(18) QD1 ILE 56 + HB VAL 54 OK 60 100 95 64 2.5-5.5 323=23, 2.1/10678=17...(10) HG13 ILE 56 - HB VAL 54 far 5 99 5 - 3.8-6.4 QD1 ILE 52 - HB VAL 54 far 5 95 5 - 4.3-6.2 QD2 LEU 6 - HB VAL 54 far 4 86 5 - 4.6-6.3 QD1 LEU 42 - HB VAL 54 far 0 88 0 - 4.8-6.5 QG1 VAL 5 - HB VAL 54 far 0 95 0 - 6.2-7.8 QD1 ILE 8 - HB VAL 54 far 0 100 0 - 7.4-9.2 QD2 LEU 27 - HB VAL 54 far 0 92 0 - 8.1-9.1 QG1 VAL 58 - HB VAL 54 far 0 98 0 - 8.6-9.7 QD1 LEU 64 - HB VAL 54 far 0 74 0 - 8.8-10.3 Violated in 0 structures by 0.00 A. Peak 12127 from cnoeabs.peaks (5.11, 0.76, 21.40 ppm; 4.07 A): 3 out of 8 assignments used, quality = 0.99: HA VAL 5 + QG1 VAL 54 OK 97 100 100 97 2.8-3.8 9295/2504=56...(23) HA TYR 4 + QG1 VAL 54 OK 71 71 100 99 4.0-4.8 3.0/9245=48, ~9239=37...(23) HA LEU 3 + QG1 VAL 54 OK 28 94 45 66 5.4-6.2 3.6/8133=23...(11) HA VAL 5 - QG1 VAL 78 far 0 84 0 - 6.6-7.5 HA ILE 7 - QG1 VAL 54 far 0 91 0 - 7.2-7.8 HA LEU 3 - QG1 VAL 78 far 0 74 0 - 7.2-7.9 HA TYR 4 - QG1 VAL 78 far 0 53 0 - 7.8-8.5 HA ILE 7 - QG1 VAL 78 far 0 71 0 - 9.9-10.8 Violated in 0 structures by 0.00 A. Peak 12128 from cnoeabs.peaks (5.11, 0.65, 22.10 ppm; 4.40 A): 3 out of 4 assignments used, quality = 1.00: HA VAL 5 + QG2 VAL 54 OK 96 100 100 96 4.9-5.7 9295/4.1=59, 8193=48...(13) HA LEU 3 + QG2 VAL 54 OK 77 93 100 83 4.1-4.9 3.6/9227=53, 8064/4.0=23...(14) HA TYR 4 + QG2 VAL 54 OK 70 70 100 100 4.5-5.2 3.0/9239=71, 3.0/9238=64...(22) HA ILE 7 - QG2 VAL 54 far 0 90 0 - 9.7-10.4 Violated in 0 structures by 0.00 A. Peak 12131 from cnoeabs.peaks (0.93, 5.39, 52.10 ppm; 4.34 A): 3 out of 6 assignments used, quality = 0.99: HB2 ARG 81 + HA LEU 57 OK 92 100 100 92 3.4-4.8 4.0/11122=58...(12) QG2 VAL 83 + HA LEU 57 OK 68 69 100 100 2.6-3.5 2.1/9797=62, ~9809=44...(24) HG LEU 55 + HA LEU 57 OK 57 67 100 86 4.4-4.8 ~9349=32, 2.1/9351=21...(15) HG13 ILE 7 - HA LEU 57 far 6 63 10 - 4.6-6.6 QG2 VAL 5 - HA LEU 57 far 0 94 0 - 7.0-8.3 QG1 VAL 32 - HA LEU 57 far 0 87 0 - 8.8-9.8 Violated in 0 structures by 0.00 A. Peak 12132 from cnoeabs.peaks (1.06, 5.39, 52.10 ppm; 5.05 A): 2 out of 3 assignments used, quality = 1.00: HB3 ARG 81 + HA LEU 57 OK 99 100 100 99 2.8-4.6 7316/11122=76, 12209=49...(14) HG2 LYS 82 + HA LEU 57 OK 67 100 70 96 6.1-6.9 9760/10705=62...(9) HB3 LEU 55 - HA LEU 57 far 0 72 0 - 7.1-7.8 Violated in 0 structures by 0.00 A. Peak 12133 from cnoeabs.peaks (0.89, 1.82, 42.40 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.99: HG13 ILE 7 + HB3 LEU 57 OK 99 99 100 100 2.2-4.1 8285=100, 1.8/8284=86...(32) HG13 ILE 8 - HB3 LEU 57 far 5 99 5 - 5.7-8.0 QD1 LEU 103 - HB3 LEU 57 far 0 82 0 - 6.8-17.2 QD1 LEU 38 - HB3 LEU 57 far 0 76 0 - 7.3-11.1 QG1 VAL 32 - HB3 LEU 57 far 0 94 0 - 8.7-9.6 QD2 LEU 64 - HB3 LEU 57 far 0 79 0 - 8.9-9.8 Violated in 0 structures by 0.00 A. Peak 12134 from cnoeabs.peaks (1.42, 1.82, 42.40 ppm; 4.68 A): 1 out of 6 assignments used, quality = 0.99: HG12 ILE 7 + HB3 LEU 57 OK 99 99 100 100 2.0-4.0 8284=98, 1.8/8285=78...(35) HG LEU 29 - HB3 LEU 57 far 10 95 10 - 6.0-7.3 QB ALA 22 - HB3 LEU 57 far 0 95 0 - 6.9-8.2 HG LEU 38 - HB3 LEU 57 far 0 58 0 - 9.3-13.2 HD2 LYS 82 - HB3 LEU 57 far 0 58 0 - 9.9-11.2 HG3 ARG 91 - HB3 LEU 57 far 0 72 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 12135 from cnoeabs.peaks (1.34, 1.82, 42.40 ppm; 5.33 A): 3 out of 6 assignments used, quality = 1.00: QB ALA 89 + HB3 LEU 57 OK 99 100 100 100 2.7-3.6 9810/9813=42...(28) HG LEU 14 + HB3 LEU 57 OK 94 98 100 96 5.1-5.9 11079/8287=50, ~12013=27...(18) HG12 ILE 8 + HB3 LEU 57 OK 84 88 100 95 5.4-6.6 6096/8289=70...(14) QB ALA 67 - HB3 LEU 57 far 0 99 0 - 7.3-8.3 HB3 ARG 30 - HB3 LEU 57 far 0 76 0 - 8.5-9.9 HB2 LYS 82 - HB3 LEU 57 far 0 100 0 - 8.7-9.3 Violated in 0 structures by 0.00 A. Peak 12145 from cnoeabs.peaks (2.08, 1.68, 29.30 ppm; 3.88 A): 4 out of 67 assignments used, quality = 0.98: HB2 GLU 16 + HD2 LYS 20 OK 83 98 100 85 2.8-5.3 12058=29, 12058/1.8=16...(28) HB2 GLU 16 + HD3 LYS 20 OK 64 97 80 83 3.3-5.8 12058/1.8=24, 12058=19...(25) HB3 PRO 86 + HD3 LYS 90 OK 56 68 95 88 2.5-5.4 3.9/4043=20, 2.3/3842=16...(25) HB2 PRO 86 + HD3 LYS 90 OK 26 44 70 84 4.1-7.1 3.9/4043=20, 2.3/3842=16...(23) HB3 PRO 86 - HD2 LYS 13 poor 20 35 65 86 4.0-8.5 ~10957=18, 2.3/3810=14...(31) HB3 GLU 35 - HD2 LYS 39 poor 19 67 50 56 3.4-8.1 4.7/8780=13, 2.9/12309=7...(16) HB2 PRO 86 - HD2 LYS 13 poor 18 22 85 - 2.3-7.0 HB3 PRO 86 - HD3 LYS 13 poor 15 33 45 - 3.8-8.8 HB3 GLU 43 - HD2 LYS 47 far 14 95 15 - 5.1-8.4 HB2 GLU 16 - HD3 LYS 12 far 10 69 15 - 4.2-9.5 HB2 GLU 16 - HD2 LYS 12 far 10 69 15 - 4.4-7.9 HB3 GLU 43 - HD3 LYS 47 far 10 95 10 - 4.8-8.0 HG3 GLU 104 - HB3 ARG 91 far 9 94 10 - 2.5-18.2 HB3 LEU 38 - HD2 LYS 39 far 7 65 10 - 4.6-8.1 QE MET 21 - HD3 LYS 90 far 4 75 5 - 5.3-6.7 HB2 LEU 64 - HD3 LYS 68 far 0 29 0 - 5.4-8.0 HB2 MET 21 - HD3 LYS 90 far 0 59 0 - 5.5-7.2 HB3 GLU 88 - HB3 ARG 91 far 0 100 0 - 5.7-7.7 HB2 MET 21 - HD2 LYS 20 far 0 73 0 - 5.7-8.8 HB2 MET 21 - HD3 LYS 20 far 0 72 0 - 5.9-9.1 HB3 GLU 43 - HD2 LYS 39 far 0 60 0 - 5.9-9.7 QE MET 21 - HB3 ARG 91 far 0 94 0 - 6.0-7.1 QE MET 21 - HD2 LYS 20 far 0 90 0 - 6.0-8.6 HB3 PRO 86 - HD2 LYS 20 far 0 83 0 - 6.1-9.6 HB2 GLU 16 - HD3 LYS 13 far 0 43 0 - 6.2-9.7 HG3 GLU 104 - HD3 LYS 68 far 0 42 0 - 6.2-18.4 HB2 MET 74 - HD2 LYS 39 far 0 58 0 - 6.2-10.0 QE MET 21 - HD3 LYS 20 far 0 89 0 - 6.3-8.8 HB2 GLU 16 - HD2 LYS 13 far 0 46 0 - 6.3-9.9 HB3 GLU 48 - HD2 LYS 47 far 0 71 0 - 6.4-9.7 HB3 GLU 88 - HD3 LYS 90 far 0 85 0 - 6.5-9.0 HB2 GLU 16 - HG12 ILE 15 far 0 90 0 - 6.6-8.1 HG3 GLU 37 - HD2 LYS 39 far 0 46 0 - 6.7-9.3 HB3 GLU 48 - HD3 LYS 47 far 0 71 0 - 6.7-9.1 HB3 PRO 86 - HD3 LYS 20 far 0 82 0 - 6.8-10.1 HB2 LEU 64 - HD2 LYS 68 far 0 31 0 - 6.8-9.0 HB2 PRO 86 - HD2 LYS 20 far 0 56 0 - 6.9-9.8 HB2 GLU 16 - HD3 LYS 90 far 0 84 0 - 7.1-11.6 HB2 GLU 23 - HD3 LYS 20 far 0 97 0 - 7.1-9.9 HB2 PRO 86 - HG12 ILE 15 far 0 48 0 - 7.2-7.7 HB VAL 83 - HB3 ARG 91 far 0 73 0 - 7.2-9.3 HG3 GLU 104 - HD2 LYS 68 far 0 44 0 - 7.2-19.9 HB2 PRO 86 - HD3 LYS 20 far 0 55 0 - 7.2-10.4 HB2 GLU 23 - HD2 LYS 20 far 0 98 0 - 7.5-9.3 HB VAL 83 - HD3 LYS 90 far 0 56 0 - 7.5-10.0 HB3 PRO 86 - HB3 ARG 91 far 0 86 0 - 7.6-9.1 HB2 MET 21 - HB3 ARG 91 far 0 77 0 - 7.7-9.4 HB VAL 83 - HD3 LYS 13 far 0 26 0 - 8.0-12.1 HB VAL 83 - HD2 LYS 13 far 0 28 0 - 8.1-12.7 HB2 MET 74 - HD2 LYS 47 far 0 94 0 - 8.2-13.2 HB3 PRO 86 - HG12 ILE 15 far 0 73 0 - 8.3-9.0 HB2 MET 74 - HD3 LYS 47 far 0 94 0 - 8.4-12.4 HB3 GLU 88 - HD2 LYS 13 far 0 46 0 - 8.4-13.3 HG3 GLU 104 - HD3 LYS 90 far 0 76 0 - 8.5-23.4 HB3 GLU 88 - HD3 LYS 13 far 0 43 0 - 8.6-12.6 HB VAL 83 - HG12 ILE 15 far 0 60 0 - 8.6-9.6 HB2 PRO 86 - HD2 LYS 12 far 0 34 0 - 8.7-11.4 HB2 PRO 86 - HD3 LYS 12 far 0 34 0 - 8.9-12.5 HB2 PRO 86 - HB3 ARG 91 far 0 59 0 - 8.9-10.6 HB3 LEU 38 - HD2 LYS 68 far 0 49 0 - 9.1-12.8 HB3 GLU 88 - HG12 ILE 15 far 0 90 0 - 9.7-10.6 HB3 LEU 38 - HD3 LYS 68 far 0 47 0 - 9.8-12.1 HB3 GLU 62 - HD3 LYS 68 far 0 47 0 - 9.8-13.6 HB2 GLU 98 - HB3 ARG 91 far 0 65 0 - 9.8-11.8 HB3 PRO 86 - HD2 LYS 12 far 0 54 0 - 9.9-12.9 HB3 PRO 86 - HD3 LYS 12 far 0 54 0 - 10.0-14.1 HB3 GLU 62 - HD2 LYS 68 far 0 49 0 - 10.0-13.9 Violated in 1 structures by 0.01 A. Peak 12146 from cnoeabs.peaks (2.08, 1.68, 29.30 ppm; 3.88 A): 4 out of 67 assignments used, quality = 0.98: HB2 GLU 16 + HD2 LYS 20 OK 83 98 100 85 2.8-5.3 12058=29, 12058/1.8=16...(28) HB2 GLU 16 + HD3 LYS 20 OK 64 97 80 83 3.3-5.8 12058/1.8=24, 12058=19...(25) HB3 PRO 86 + HD3 LYS 90 OK 56 68 95 88 2.5-5.4 3.9/4043=20, 2.3/3842=16...(25) HB2 PRO 86 + HD3 LYS 90 OK 26 44 70 84 4.1-7.1 3.9/4043=20, 2.3/3842=16...(23) HB3 PRO 86 - HD2 LYS 13 poor 20 35 65 86 4.0-8.5 ~10957=18, 2.3/3810=14...(31) HB3 GLU 35 - HD2 LYS 39 poor 19 67 50 56 3.4-8.1 4.7/8780=13, 2.9/12309=7...(16) HB2 PRO 86 - HD2 LYS 13 poor 18 22 85 - 2.3-7.0 HB3 PRO 86 - HD3 LYS 13 poor 15 33 45 - 3.8-8.8 HB3 GLU 43 - HD2 LYS 47 far 14 95 15 - 5.1-8.4 HB2 GLU 16 - HD3 LYS 12 far 10 69 15 - 4.2-9.5 HB2 GLU 16 - HD2 LYS 12 far 10 69 15 - 4.4-7.9 HB3 GLU 43 - HD3 LYS 47 far 10 95 10 - 4.8-8.0 HG3 GLU 104 - HB3 ARG 91 far 9 94 10 - 2.5-18.2 HB3 LEU 38 - HD2 LYS 39 far 7 65 10 - 4.6-8.1 QE MET 21 - HD3 LYS 90 far 4 75 5 - 5.3-6.7 HB2 LEU 64 - HD3 LYS 68 far 0 29 0 - 5.4-8.0 HB2 MET 21 - HD3 LYS 90 far 0 59 0 - 5.5-7.2 HB3 GLU 88 - HB3 ARG 91 far 0 100 0 - 5.7-7.7 HB2 MET 21 - HD2 LYS 20 far 0 73 0 - 5.7-8.8 HB2 MET 21 - HD3 LYS 20 far 0 72 0 - 5.9-9.1 HB3 GLU 43 - HD2 LYS 39 far 0 60 0 - 5.9-9.7 QE MET 21 - HB3 ARG 91 far 0 94 0 - 6.0-7.1 QE MET 21 - HD2 LYS 20 far 0 90 0 - 6.0-8.6 HB3 PRO 86 - HD2 LYS 20 far 0 83 0 - 6.1-9.6 HB2 GLU 16 - HD3 LYS 13 far 0 43 0 - 6.2-9.7 HG3 GLU 104 - HD3 LYS 68 far 0 42 0 - 6.2-18.4 HB2 MET 74 - HD2 LYS 39 far 0 58 0 - 6.2-10.0 QE MET 21 - HD3 LYS 20 far 0 89 0 - 6.3-8.8 HB2 GLU 16 - HD2 LYS 13 far 0 46 0 - 6.3-9.9 HB3 GLU 48 - HD2 LYS 47 far 0 71 0 - 6.4-9.7 HB3 GLU 88 - HD3 LYS 90 far 0 85 0 - 6.5-9.0 HB2 GLU 16 - HG12 ILE 15 far 0 90 0 - 6.6-8.1 HG3 GLU 37 - HD2 LYS 39 far 0 46 0 - 6.7-9.3 HB3 GLU 48 - HD3 LYS 47 far 0 71 0 - 6.7-9.1 HB3 PRO 86 - HD3 LYS 20 far 0 82 0 - 6.8-10.1 HB2 LEU 64 - HD2 LYS 68 far 0 31 0 - 6.8-9.0 HB2 PRO 86 - HD2 LYS 20 far 0 56 0 - 6.9-9.8 HB2 GLU 16 - HD3 LYS 90 far 0 84 0 - 7.1-11.6 HB2 GLU 23 - HD3 LYS 20 far 0 97 0 - 7.1-9.9 HB2 PRO 86 - HG12 ILE 15 far 0 48 0 - 7.2-7.7 HB VAL 83 - HB3 ARG 91 far 0 73 0 - 7.2-9.3 HG3 GLU 104 - HD2 LYS 68 far 0 44 0 - 7.2-19.9 HB2 PRO 86 - HD3 LYS 20 far 0 55 0 - 7.2-10.4 HB2 GLU 23 - HD2 LYS 20 far 0 98 0 - 7.5-9.3 HB VAL 83 - HD3 LYS 90 far 0 56 0 - 7.5-10.0 HB3 PRO 86 - HB3 ARG 91 far 0 86 0 - 7.6-9.1 HB2 MET 21 - HB3 ARG 91 far 0 77 0 - 7.7-9.4 HB VAL 83 - HD3 LYS 13 far 0 26 0 - 8.0-12.1 HB VAL 83 - HD2 LYS 13 far 0 28 0 - 8.1-12.7 HB2 MET 74 - HD2 LYS 47 far 0 94 0 - 8.2-13.2 HB3 PRO 86 - HG12 ILE 15 far 0 73 0 - 8.3-9.0 HB2 MET 74 - HD3 LYS 47 far 0 94 0 - 8.4-12.4 HB3 GLU 88 - HD2 LYS 13 far 0 46 0 - 8.4-13.3 HG3 GLU 104 - HD3 LYS 90 far 0 76 0 - 8.5-23.4 HB3 GLU 88 - HD3 LYS 13 far 0 43 0 - 8.6-12.6 HB VAL 83 - HG12 ILE 15 far 0 60 0 - 8.6-9.6 HB2 PRO 86 - HD2 LYS 12 far 0 34 0 - 8.7-11.4 HB2 PRO 86 - HD3 LYS 12 far 0 34 0 - 8.9-12.5 HB2 PRO 86 - HB3 ARG 91 far 0 59 0 - 8.9-10.6 HB3 LEU 38 - HD2 LYS 68 far 0 49 0 - 9.1-12.8 HB3 GLU 88 - HG12 ILE 15 far 0 90 0 - 9.7-10.6 HB3 LEU 38 - HD3 LYS 68 far 0 47 0 - 9.8-12.1 HB3 GLU 62 - HD3 LYS 68 far 0 47 0 - 9.8-13.6 HB2 GLU 98 - HB3 ARG 91 far 0 65 0 - 9.8-11.8 HB3 PRO 86 - HD2 LYS 12 far 0 54 0 - 9.9-12.9 HB3 PRO 86 - HD3 LYS 12 far 0 54 0 - 10.0-14.1 HB3 GLU 62 - HD2 LYS 68 far 0 49 0 - 10.0-13.9 Violated in 1 structures by 0.01 A. Peak 12153 from cnoeabs.peaks (2.13, 2.90, 41.80 ppm; 4.70 A): 9 out of 62 assignments used, quality = 1.00: HB2 GLU 69 + HE3 LYS 66 OK 68 100 85 80 3.7-6.8 10802/2.9=25...(14) HB2 GLU 69 + HE2 LYS 66 OK 59 99 75 79 3.9-7.4 10802/2.9=25...(14) QE MET 21 + HE3 LYS 94 OK 57 67 100 85 2.6-5.0 12251/3.0=24...(13) HG2 GLU 69 + HE3 LYS 66 OK 55 100 70 78 2.8-8.7 10797/2.9=19...(15) HG2 GLU 69 + HE2 LYS 66 OK 54 99 70 77 3.6-8.2 10797/2.9=19...(15) HB3 GLU 16 + HE3 LYS 20 OK 46 59 90 87 2.4-7.4 10461/3.6=22, ~12146=17...(22) QE MET 21 + HE2 LYS 94 OK 46 54 100 86 1.9-4.8 12251/3.0=24...(14) HB3 GLU 16 + HE2 LYS 20 OK 39 60 75 87 4.1-7.8 10461/3.6=22...(22) HB3 GLU 69 + HE3 LYS 66 OK 28 100 45 63 4.4-8.3 ~10802=18, 1.8/10529=15...(10) HB3 GLU 69 - HE2 LYS 66 poor 19 99 30 62 3.3-8.8 ~10802=18, ~10529=14...(10) HG2 GLU 69 - HE3 LYS 68 far 10 98 10 - 4.3-9.7 HG2 GLU 69 - HE2 LYS 68 far 10 97 10 - 4.8-8.7 HB2 LEU 64 - HE3 LYS 68 far 9 91 10 - 5.8-9.4 HB3 GLU 23 - HE2 LYS 20 lone 7 81 45 20 5.0-8.5 857/6.3=11, 10461/3.6=9 HB3 GLU 23 - HE3 LYS 20 lone 7 79 45 20 5.1-7.9 857/6.3=11, 10461/3.6=9 QE MET 21 - HE2 LYS 20 far 7 66 10 - 5.9-8.8 HB3 GLU 69 - HE3 LYS 68 far 5 98 5 - 5.8-9.1 HB2 GLU 69 - HE3 LYS 68 far 5 98 5 - 5.9-9.0 HB3 GLU 69 - HE2 LYS 68 far 5 97 5 - 5.9-9.6 HG2 GLU 104 - HE3 LYS 68 far 5 92 5 - 3.8-19.3 HG2 GLU 104 - HE2 LYS 68 far 5 90 5 - 5.1-17.9 HG2 GLU 104 - HE3 LYS 94 far 4 89 5 - 4.8-20.1 HB2 LEU 64 - HE2 LYS 68 far 4 89 5 - 5.9-9.4 HG3 GLU 104 - HE3 LYS 68 far 3 68 5 - 5.2-18.7 HG3 GLU 104 - HE2 LYS 68 far 3 66 5 - 5.8-17.2 HG3 GLU 104 - HE3 LYS 94 far 3 65 5 - 4.9-19.5 HB2 GLU 69 - HE2 LYS 68 far 0 97 0 - 6.2-9.5 HG2 GLU 104 - HE2 LYS 94 far 0 74 0 - 6.4-20.1 HB3 PRO 86 - HE3 LYS 20 far 0 75 0 - 6.4-10.9 HB3 GLU 95 - HE2 LYS 94 far 0 60 0 - 6.5-10.5 HB2 GLN 72 - HE3 LYS 68 far 0 68 0 - 6.5-9.7 HB3 GLU 37 - HE3 LYS 39 far 0 75 0 - 6.5-10.6 HB2 GLU 69 - HE2 LYS 39 far 0 60 0 - 6.6-12.5 QE MET 21 - HE3 LYS 20 far 0 65 0 - 6.6-9.0 HG3 GLU 104 - HE2 LYS 94 far 0 52 0 - 6.7-20.0 HB2 GLN 72 - HE2 LYS 68 far 0 66 0 - 6.7-9.6 HG3 GLU 37 - HE3 LYS 39 far 0 63 0 - 6.7-10.7 HB2 PRO 86 - HE3 LYS 20 far 0 91 0 - 6.7-11.1 HB3 GLU 95 - HE3 LYS 94 far 0 74 0 - 6.8-10.6 HG3 GLU 37 - HE2 LYS 39 far 0 49 0 - 6.8-10.5 HB3 GLU 69 - HE2 LYS 39 far 0 60 0 - 7.3-13.0 HB3 GLU 37 - HE3 LYS 66 far 0 100 0 - 7.5-14.1 HB3 GLU 37 - HE2 LYS 39 far 0 59 0 - 7.5-10.5 HG3 GLU 37 - HE3 LYS 66 far 0 91 0 - 7.6-13.2 HB2 GLU 69 - HE3 LYS 39 far 0 75 0 - 7.7-12.4 HB2 LEU 64 - HE3 LYS 66 far 0 94 0 - 7.8-10.7 HB3 PRO 86 - HE2 LYS 20 far 0 76 0 - 7.9-11.5 HB2 PRO 86 - HE2 LYS 20 far 0 93 0 - 8.1-11.5 HB3 GLU 69 - HE3 LYS 39 far 0 75 0 - 8.3-12.7 HB2 LEU 64 - HE2 LYS 66 far 0 93 0 - 8.3-11.2 HG3 GLU 37 - HE2 LYS 66 far 0 89 0 - 8.3-13.4 HG2 GLU 44 - HE2 LYS 39 far 0 60 0 - 8.4-13.2 HB3 GLU 37 - HE2 LYS 66 far 0 99 0 - 8.4-14.1 HG2 GLU 44 - HE3 LYS 39 far 0 75 0 - 8.5-13.6 HB3 GLU 23 - HE2 LYS 94 far 0 67 0 - 8.6-14.5 HG2 GLU 69 - HE2 LYS 39 far 0 60 0 - 8.7-14.4 HB3 PRO 86 - HE2 LYS 94 far 0 63 0 - 8.8-12.7 HG2 GLU 88 - HE2 LYS 94 far 0 79 0 - 8.9-14.9 HB3 PRO 86 - HE3 LYS 94 far 0 77 0 - 9.2-13.0 HG2 GLU 88 - HE3 LYS 94 far 0 94 0 - 9.2-14.5 HB2 GLN 72 - HE2 LYS 39 far 0 36 0 - 9.3-14.6 HG2 GLU 69 - HE3 LYS 39 far 0 75 0 - 9.8-13.8 Violated in 0 structures by 0.00 A. Peak 12155 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.43 A): 8 out of 32 assignments used, quality = 1.00: HB2 GLU 35 + HG3 LYS 66 OK 86 100 90 95 3.1-6.8 10434=25, 12029/2.9=19...(31) HB2 GLU 62 + HG2 LYS 66 OK 63 100 80 79 5.0-7.2 7006/10739=22...(14) HB2 GLU 35 + HG2 LYS 66 OK 62 100 65 95 2.7-7.7 10434/1.8=21...(33) HB2 GLU 62 + HG3 LYS 66 OK 47 100 65 73 4.9-8.6 1.8/12158=13...(13) HB2 GLU 37 + HG3 LYS 33 OK 38 46 100 81 2.9-4.7 8752/6535=50...(9) QE MET 74 + HG2 LYS 73 OK 24 55 50 89 4.3-6.7 10282/10813=40...(14) HB3 GLU 44 + HG2 LYS 47 OK 22 55 40 99 4.4-8.4 3.0/12088=68, ~12089=44...(21) QE MET 1 + HG3 LYS 53 OK 20 21 100 97 2.3-4.8 8027/3.0=41...(22) HB3 MET 1 - HG2 LYS 53 poor 19 30 65 - 4.2-6.6 HB3 MET 1 - HG3 LYS 53 poor 17 37 55 85 4.6-7.4 3.0/8016=25, 3.0/8019=23...(17) HB2 ARG 46 - HG2 LYS 47 poor 15 31 50 - 3.5-7.4 HB2 GLU 44 - HG2 LYS 47 poor 14 55 25 - 5.0-9.2 HB3 GLU 99 - HG2 LYS 53 far 0 21 0 - 6.2-11.2 HB3 GLU 48 - HG2 LYS 47 far 0 29 0 - 6.3-8.2 HB3 GLU 17 - HG3 LYS 13 far 0 55 0 - 6.5-9.5 HB2 GLU 99 - HG3 LYS 53 far 0 22 0 - 6.5-9.3 QE MET 74 - HG3 LYS 66 far 0 99 0 - 6.8-12.3 HB3 GLU 99 - HG3 LYS 53 far 0 26 0 - 6.9-9.9 HB3 LYS 94 - HG3 LYS 24 far 0 41 0 - 6.9-10.0 QE MET 74 - HG2 LYS 47 far 0 55 0 - 7.3-10.4 QE MET 74 - HG2 LYS 66 far 0 99 0 - 8.3-12.5 HB2 GLN 50 - HG2 LYS 53 far 0 28 0 - 8.3-12.7 HB2 GLU 37 - HG3 LYS 66 far 0 71 0 - 9.0-12.5 HB2 GLU 37 - HG2 LYS 66 far 0 71 0 - 9.1-13.9 HB2 GLU 98 - HG3 LYS 53 far 0 21 0 - 9.1-11.6 HB2 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.2-10.1 HB2 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.5-12.0 HG12 ILE 93 - HG3 LYS 24 far 0 30 0 - 9.6-12.1 HB3 GLU 17 - HG3 LYS 24 far 0 43 0 - 9.7-12.2 HB3 GLU 98 - HG3 LYS 53 far 0 22 0 - 9.7-12.2 HB2 GLN 50 - HG2 LYS 47 far 0 53 0 - 9.7-11.6 HB2 GLN 50 - HG3 LYS 53 far 0 35 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 12156 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 4.50 A): 7 out of 27 assignments used, quality = 1.00: HB3 GLU 35 + HG3 LYS 66 OK 81 100 85 96 2.0-6.4 12058/2.9=22...(31) HB3 GLU 62 + HG2 LYS 66 OK 66 99 85 78 3.7-7.1 7007/10739=23...(15) HB3 GLU 62 + HG3 LYS 66 OK 60 99 85 71 4.4-8.5 12288/2.9=12, ~8841=11...(13) HB3 GLU 35 + HG2 LYS 66 OK 57 100 60 96 2.9-7.8 12058/2.9=22, ~12289=17...(33) HG3 GLU 37 + HG3 LYS 33 OK 43 52 100 84 3.6-4.8 8814/6535=34...(11) QE MET 21 + HG3 LYS 24 OK 34 37 100 92 3.3-5.9 8540/3.7=51...(9) HB2 PRO 86 + HG3 LYS 13 OK 21 26 100 82 4.0-6.0 10957=20, ~3810=10...(28) HB3 GLU 43 - HG2 LYS 47 poor 10 51 20 - 5.2-9.0 HB3 LEU 38 - HG3 LYS 66 far 10 99 10 - 4.5-9.3 HB3 PRO 86 - HG3 LYS 13 far 6 42 15 - 5.6-7.6 HB3 LEU 38 - HG2 LYS 66 far 5 99 5 - 5.6-9.7 HB2 LEU 64 - HG2 LYS 66 far 0 73 0 - 6.0-9.0 HB2 MET 21 - HG3 LYS 24 far 0 28 0 - 6.2-7.7 HB3 GLU 48 - HG2 LYS 47 far 0 34 0 - 6.3-8.2 HB2 MET 74 - HG2 LYS 73 far 0 49 0 - 6.5-8.2 HB2 GLU 23 - HG3 LYS 24 far 0 43 0 - 6.7-7.7 HB3 LEU 38 - HG3 LYS 33 far 0 73 0 - 6.9-9.9 HB2 GLU 16 - HG3 LYS 13 far 0 54 0 - 7.0-9.1 HB2 LEU 64 - HG3 LYS 66 far 0 73 0 - 7.4-9.4 HB2 MET 74 - HG2 LYS 47 far 0 49 0 - 7.5-11.5 HB3 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-11.3 HG3 GLU 37 - HG2 LYS 66 far 0 79 0 - 8.0-12.6 HB3 LEU 38 - HG2 LYS 73 far 0 55 0 - 8.1-13.0 HG3 GLU 37 - HG3 LYS 66 far 0 78 0 - 8.3-11.3 HG3 GLU 104 - HG3 LYS 53 far 0 33 0 - 9.3-16.6 HB VAL 83 - HG3 LYS 13 far 0 34 0 - 9.7-11.2 HB3 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 12157 from cnoeabs.peaks (2.01, 1.49, 24.60 ppm; 4.43 A): 8 out of 32 assignments used, quality = 1.00: HB2 GLU 35 + HG3 LYS 66 OK 86 100 90 95 3.1-6.8 10434=25, 12029/2.9=19...(31) HB2 GLU 62 + HG2 LYS 66 OK 63 100 80 79 5.0-7.2 7006/10739=22...(14) HB2 GLU 35 + HG2 LYS 66 OK 62 100 65 95 2.7-7.7 10434/1.8=21...(33) HB2 GLU 62 + HG3 LYS 66 OK 47 100 65 73 4.9-8.6 1.8/12158=13...(13) HB2 GLU 37 + HG3 LYS 33 OK 38 46 100 81 2.9-4.7 8752/6535=50...(9) QE MET 74 + HG2 LYS 73 OK 24 55 50 89 4.3-6.7 10282/10813=40...(14) HB3 GLU 44 + HG2 LYS 47 OK 22 55 40 99 4.4-8.4 3.0/12088=68, ~12089=44...(21) QE MET 1 + HG3 LYS 53 OK 20 21 100 97 2.3-4.8 8027/3.0=41...(22) HB3 MET 1 - HG2 LYS 53 poor 19 30 65 - 4.2-6.6 HB3 MET 1 - HG3 LYS 53 poor 17 37 55 85 4.6-7.4 3.0/8016=25, 3.0/8019=23...(17) HB2 ARG 46 - HG2 LYS 47 poor 15 31 50 - 3.5-7.4 HB2 GLU 44 - HG2 LYS 47 poor 14 55 25 - 5.0-9.2 HB3 GLU 99 - HG2 LYS 53 far 0 21 0 - 6.2-11.2 HB3 GLU 48 - HG2 LYS 47 far 0 29 0 - 6.3-8.2 HB3 GLU 17 - HG3 LYS 13 far 0 55 0 - 6.5-9.5 HB2 GLU 99 - HG3 LYS 53 far 0 22 0 - 6.5-9.3 QE MET 74 - HG3 LYS 66 far 0 99 0 - 6.8-12.3 HB3 GLU 99 - HG3 LYS 53 far 0 26 0 - 6.9-9.9 HB3 LYS 94 - HG3 LYS 24 far 0 41 0 - 6.9-10.0 QE MET 74 - HG2 LYS 47 far 0 55 0 - 7.3-10.4 QE MET 74 - HG2 LYS 66 far 0 99 0 - 8.3-12.5 HB2 GLN 50 - HG2 LYS 53 far 0 28 0 - 8.3-12.7 HB2 GLU 37 - HG3 LYS 66 far 0 71 0 - 9.0-12.5 HB2 GLU 37 - HG2 LYS 66 far 0 71 0 - 9.1-13.9 HB2 GLU 98 - HG3 LYS 53 far 0 21 0 - 9.1-11.6 HB2 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.2-10.1 HB2 GLU 35 - HG2 LYS 73 far 0 57 0 - 9.5-12.0 HG12 ILE 93 - HG3 LYS 24 far 0 30 0 - 9.6-12.1 HB3 GLU 17 - HG3 LYS 24 far 0 43 0 - 9.7-12.2 HB3 GLU 98 - HG3 LYS 53 far 0 22 0 - 9.7-12.2 HB2 GLN 50 - HG2 LYS 47 far 0 53 0 - 9.7-11.6 HB2 GLN 50 - HG3 LYS 53 far 0 35 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 12158 from cnoeabs.peaks (2.08, 1.49, 24.60 ppm; 4.50 A): 7 out of 27 assignments used, quality = 1.00: HB3 GLU 35 + HG3 LYS 66 OK 81 100 85 96 2.0-6.4 12058/2.9=22...(31) HB3 GLU 62 + HG2 LYS 66 OK 66 99 85 78 3.7-7.1 7007/10739=23...(15) HB3 GLU 62 + HG3 LYS 66 OK 60 99 85 71 4.4-8.5 12288/2.9=12, ~8841=11...(13) HB3 GLU 35 + HG2 LYS 66 OK 57 100 60 96 2.9-7.8 12058/2.9=22, ~12289=17...(33) HG3 GLU 37 + HG3 LYS 33 OK 43 52 100 84 3.6-4.8 8814/6535=34...(11) QE MET 21 + HG3 LYS 24 OK 34 37 100 92 3.3-5.9 8540/3.7=51...(9) HB2 PRO 86 + HG3 LYS 13 OK 21 26 100 82 4.0-6.0 10957=20, ~3810=10...(28) HB3 GLU 43 - HG2 LYS 47 poor 10 51 20 - 5.2-9.0 HB3 LEU 38 - HG3 LYS 66 far 10 99 10 - 4.5-9.3 HB3 PRO 86 - HG3 LYS 13 far 6 42 15 - 5.6-7.6 HB3 LEU 38 - HG2 LYS 66 far 5 99 5 - 5.6-9.7 HB2 LEU 64 - HG2 LYS 66 far 0 73 0 - 6.0-9.0 HB2 MET 21 - HG3 LYS 24 far 0 28 0 - 6.2-7.7 HB3 GLU 48 - HG2 LYS 47 far 0 34 0 - 6.3-8.2 HB2 MET 74 - HG2 LYS 73 far 0 49 0 - 6.5-8.2 HB2 GLU 23 - HG3 LYS 24 far 0 43 0 - 6.7-7.7 HB3 LEU 38 - HG3 LYS 33 far 0 73 0 - 6.9-9.9 HB2 GLU 16 - HG3 LYS 13 far 0 54 0 - 7.0-9.1 HB2 LEU 64 - HG3 LYS 66 far 0 73 0 - 7.4-9.4 HB2 MET 74 - HG2 LYS 47 far 0 49 0 - 7.5-11.5 HB3 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-11.3 HG3 GLU 37 - HG2 LYS 66 far 0 79 0 - 8.0-12.6 HB3 LEU 38 - HG2 LYS 73 far 0 55 0 - 8.1-13.0 HG3 GLU 37 - HG3 LYS 66 far 0 78 0 - 8.3-11.3 HG3 GLU 104 - HG3 LYS 53 far 0 33 0 - 9.3-16.6 HB VAL 83 - HG3 LYS 13 far 0 34 0 - 9.7-11.2 HB3 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 12159 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 9 out of 30 assignments used, quality = 0.99: HB2 GLU 63 + HG3 LYS 66 OK 77 100 85 91 4.3-7.1 3.0/9459=34, ~9459=25...(13) HG3 GLU 35 + HG3 LYS 66 OK 41 100 45 91 4.1-8.9 12289/2.9=31, ~12289=19...(25) HG2 MET 1 + HG3 LYS 53 OK 33 38 90 98 4.0-6.6 8016/1.8=38, 8016=38...(18) HG3 GLU 35 + HG2 LYS 66 OK 32 100 35 91 4.9-9.4 12289/2.9=31, ~12289=19...(25) HB2 GLU 63 + HG2 LYS 66 OK 32 100 35 91 4.1-6.4 3.0/9459=34, ~2771=24...(13) HG2 MET 1 + HG2 LYS 53 OK 30 30 100 98 3.1-6.0 8016=42, 8016/1.8=35...(21) HB3 GLN 72 + HG2 LYS 73 OK 29 32 100 93 3.4-5.8 4.6/7207=51, ~10845=47...(10) HG2 GLU 35 + HG3 LYS 66 OK 27 100 30 91 4.8-9.1 12289/2.9=26, ~12289=22...(25) HB2 GLN 72 + HG2 LYS 73 OK 26 29 100 90 4.8-5.3 4.6/7207=51...(8) HG2 GLU 35 - HG2 LYS 66 far 15 100 15 - 5.3-9.8 HG3 PRO 86 - HG3 LYS 13 far 5 54 10 - 5.8-7.7 HG2 GLU 99 - HG3 LYS 53 far 3 30 10 - 5.6-11.3 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 6.1-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 6.6-7.9 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.6-8.6 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 6.9-10.5 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.2-10.2 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.3-12.7 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-11.7 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.2-11.9 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.6-11.8 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 8.6-10.3 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 9.1-9.8 HG2 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.2-11.0 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.2-12.0 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.8-12.0 HG2 GLU 98 - HG3 LYS 53 far 0 34 0 - 9.9-13.1 HG3 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.9-11.5 HB3 GLN 72 - HG3 LYS 66 far 0 67 0 - 9.9-13.5 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 12160 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 9 out of 30 assignments used, quality = 0.99: HB2 GLU 63 + HG3 LYS 66 OK 77 100 85 91 4.3-7.1 3.0/9459=34, ~9459=25...(13) HG3 GLU 35 + HG3 LYS 66 OK 41 100 45 91 4.1-8.9 12289/2.9=31, ~12289=19...(25) HG2 MET 1 + HG3 LYS 53 OK 33 38 90 98 4.0-6.6 8016/1.8=38, 8016=38...(18) HG3 GLU 35 + HG2 LYS 66 OK 32 100 35 91 4.9-9.4 12289/2.9=31, ~12289=19...(25) HB2 GLU 63 + HG2 LYS 66 OK 32 100 35 91 4.1-6.4 3.0/9459=34, ~2771=24...(13) HG2 MET 1 + HG2 LYS 53 OK 30 30 100 98 3.1-6.0 8016=42, 8016/1.8=35...(21) HB3 GLN 72 + HG2 LYS 73 OK 29 32 100 93 3.4-5.8 4.6/7207=51, ~10845=47...(10) HG2 GLU 35 + HG3 LYS 66 OK 27 100 30 91 4.8-9.1 12289/2.9=26, ~12289=22...(25) HB2 GLN 72 + HG2 LYS 73 OK 26 29 100 90 4.8-5.3 4.6/7207=51...(8) HG2 GLU 35 - HG2 LYS 66 far 15 100 15 - 5.3-9.8 HG3 PRO 86 - HG3 LYS 13 far 5 54 10 - 5.8-7.7 HG2 GLU 99 - HG3 LYS 53 far 3 30 10 - 5.6-11.3 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 6.1-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 6.6-7.9 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.6-8.6 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 6.9-10.5 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.2-10.2 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.3-12.7 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-11.7 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.2-11.9 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.6-11.8 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 8.6-10.3 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 9.1-9.8 HG2 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.2-11.0 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.2-12.0 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.8-12.0 HG2 GLU 98 - HG3 LYS 53 far 0 34 0 - 9.9-13.1 HG3 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.9-11.5 HB3 GLN 72 - HG3 LYS 66 far 0 67 0 - 9.9-13.5 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 12161 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 9 out of 30 assignments used, quality = 0.99: HB2 GLU 63 + HG3 LYS 66 OK 77 100 85 91 4.3-7.1 3.0/9459=34, ~9459=25...(13) HG3 GLU 35 + HG3 LYS 66 OK 41 100 45 91 4.1-8.9 12289/2.9=31, ~12289=19...(25) HG2 MET 1 + HG3 LYS 53 OK 33 38 90 98 4.0-6.6 8016/1.8=38, 8016=38...(18) HG3 GLU 35 + HG2 LYS 66 OK 32 100 35 91 4.9-9.4 12289/2.9=31, ~12289=19...(25) HB2 GLU 63 + HG2 LYS 66 OK 32 100 35 91 4.1-6.4 3.0/9459=34, ~2771=24...(13) HG2 MET 1 + HG2 LYS 53 OK 30 30 100 98 3.1-6.0 8016=42, 8016/1.8=35...(21) HB3 GLN 72 + HG2 LYS 73 OK 29 32 100 93 3.4-5.8 4.6/7207=51, ~10845=47...(10) HG2 GLU 35 + HG3 LYS 66 OK 27 100 30 91 4.8-9.1 12289/2.9=26, ~12289=22...(25) HB2 GLN 72 + HG2 LYS 73 OK 26 29 100 90 4.8-5.3 4.6/7207=51...(8) HG2 GLU 35 - HG2 LYS 66 far 15 100 15 - 5.3-9.8 HG3 PRO 86 - HG3 LYS 13 far 5 54 10 - 5.8-7.7 HG2 GLU 99 - HG3 LYS 53 far 3 30 10 - 5.6-11.3 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 6.1-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 6.6-7.9 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.6-8.6 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 6.9-10.5 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.2-10.2 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.3-12.7 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-11.7 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.2-11.9 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.6-11.8 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 8.6-10.3 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 9.1-9.8 HG2 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.2-11.0 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.2-12.0 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.8-12.0 HG2 GLU 98 - HG3 LYS 53 far 0 34 0 - 9.9-13.1 HG3 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.9-11.5 HB3 GLN 72 - HG3 LYS 66 far 0 67 0 - 9.9-13.5 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 12162 from cnoeabs.peaks (2.20, 1.49, 24.60 ppm; 4.49 A): 9 out of 30 assignments used, quality = 0.99: HB2 GLU 63 + HG3 LYS 66 OK 77 100 85 91 4.3-7.1 3.0/9459=34, ~9459=25...(13) HG3 GLU 35 + HG3 LYS 66 OK 41 100 45 91 4.1-8.9 12289/2.9=31, ~12289=19...(25) HG2 MET 1 + HG3 LYS 53 OK 33 38 90 98 4.0-6.6 8016/1.8=38, 8016=38...(18) HG3 GLU 35 + HG2 LYS 66 OK 32 100 35 91 4.9-9.4 12289/2.9=31, ~12289=19...(25) HB2 GLU 63 + HG2 LYS 66 OK 32 100 35 91 4.1-6.4 3.0/9459=34, ~2771=24...(13) HG2 MET 1 + HG2 LYS 53 OK 30 30 100 98 3.1-6.0 8016=42, 8016/1.8=35...(21) HB3 GLN 72 + HG2 LYS 73 OK 29 32 100 93 3.4-5.8 4.6/7207=51, ~10845=47...(10) HG2 GLU 35 + HG3 LYS 66 OK 27 100 30 91 4.8-9.1 12289/2.9=26, ~12289=22...(25) HB2 GLN 72 + HG2 LYS 73 OK 26 29 100 90 4.8-5.3 4.6/7207=51...(8) HG2 GLU 35 - HG2 LYS 66 far 15 100 15 - 5.3-9.8 HG3 PRO 86 - HG3 LYS 13 far 5 54 10 - 5.8-7.7 HG2 GLU 99 - HG3 LYS 53 far 3 30 10 - 5.6-11.3 HB3 GLU 16 - HG3 LYS 13 far 0 30 0 - 6.1-9.1 HG3 GLU 75 - HG2 LYS 73 far 0 41 0 - 6.6-7.9 HG2 GLU 75 - HG2 LYS 73 far 0 39 0 - 6.6-8.6 HG2 GLU 43 - HG2 LYS 47 far 0 54 0 - 6.9-10.5 HG3 GLU 35 - HG2 LYS 73 far 0 57 0 - 7.2-10.2 HG2 GLU 99 - HG2 LYS 53 far 0 24 0 - 7.3-12.7 HG2 GLU 35 - HG2 LYS 73 far 0 57 0 - 8.0-11.7 HB3 GLN 50 - HG2 LYS 53 far 0 22 0 - 8.2-11.9 HG2 GLU 98 - HG3 LYS 24 far 0 39 0 - 8.6-11.8 HB2 GLU 63 - HG3 LYS 33 far 0 75 0 - 8.6-10.3 HB3 GLU 75 - HG2 LYS 73 far 0 54 0 - 9.1-9.8 HG2 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.2-11.0 HG2 GLU 43 - HG2 LYS 73 far 0 53 0 - 9.2-12.0 HB3 GLN 50 - HG3 LYS 53 far 0 27 0 - 9.8-12.0 HG2 GLU 98 - HG3 LYS 53 far 0 34 0 - 9.9-13.1 HG3 GLU 35 - HG3 LYS 33 far 0 75 0 - 9.9-11.5 HB3 GLN 72 - HG3 LYS 66 far 0 67 0 - 9.9-13.5 HB3 GLN 50 - HG2 LYS 47 far 0 42 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 12163 from cnoeabs.peaks (8.26, 3.81, 60.00 ppm; 3.80 A): 2 out of 4 assignments used, quality = 0.99: H GLU 23 + HA ARG 19 OK 90 95 100 94 3.9-4.7 6354/786=44, 6357=40...(15) H ALA 71 + HA LYS 68 OK 89 99 100 90 3.5-4.3 7157/7142=45...(12) H LEU 27 - HA ARG 19 far 0 93 0 - 7.7-8.3 H LYS 94 - HA ARG 19 far 0 100 0 - 9.2-11.0 Violated in 2 structures by 0.00 A. Peak 12164 from cnoeabs.peaks (2.42, 1.84, 32.20 ppm; 5.52 A): 8 out of 12 assignments used, quality = 1.00: HG2 GLN 72 + HB2 LYS 68 OK 95 100 95 100 4.6-7.7 ~9563=64, 12325/3.0=54...(23) HG3 MET 21 + HB3 LYS 90 OK 86 86 100 100 2.1-4.4 ~3920=72, ~8546=67...(42) HB3 MET 21 + HB3 LYS 90 OK 85 85 100 100 2.0-4.3 ~8549=62, ~3920=55...(42) HG3 GLU 17 + HB3 LYS 90 OK 60 95 65 97 5.2-7.8 ~12027=49, ~12029=35...(16) HG3 MET 21 + HB2 LYS 90 OK 49 49 100 100 2.4-5.9 ~3920=72, ~8546=67...(41) HB3 MET 21 + HB2 LYS 90 OK 48 48 100 100 3.2-5.7 ~8549=62, ~3920=55...(41) HB2 ASP 11 + HB3 LYS 12 OK 47 56 100 84 6.7-7.0 ~11008=40, 4.5/6152=35...(7) HG3 GLU 17 + HB2 LYS 90 OK 39 57 70 97 4.5-8.0 ~12027=49, ~12029=35...(18) HG3 GLU 17 - HB2 LYS 12 far 0 62 0 - 7.2-10.1 HG3 GLU 17 - HB3 LYS 12 far 0 57 0 - 7.3-10.1 HB2 ASP 11 - HB2 LYS 12 far 0 60 0 - 7.4-7.8 HG2 GLN 72 - HB3 LYS 39 far 0 78 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 12166 from cnoeabs.peaks (2.42, 1.87, 32.20 ppm; 5.90 A): 4 out of 9 assignments used, quality = 1.00: HG2 GLN 72 + HB3 LYS 68 OK 90 100 90 100 5.2-7.9 1.8/9563=84...(25) HB2 ASP 11 + HB3 LYS 12 OK 83 89 100 93 6.7-7.0 ~11008=46, 4.5/6153=45...(7) HB3 MET 21 + HB2 LYS 20 OK 68 72 100 96 4.7-6.8 4.0/869=55, ~8564=29...(21) HG3 MET 21 + HB2 LYS 20 OK 53 73 85 86 4.2-8.5 5.1/869=47, ~12042=27...(16) HG3 GLU 17 - HB2 LYS 20 poor 20 82 35 69 6.2-8.8 ~10434=22, 3.9/860=22...(8) HG3 GLU 17 - HB3 LYS 12 far 9 91 10 - 7.3-10.1 HG3 GLU 17 - HB2 LYS 12 far 9 90 10 - 7.2-10.1 HB2 ASP 11 - HB2 LYS 12 far 4 88 5 - 7.4-7.8 HG2 GLN 72 - HB3 LYS 39 far 0 98 0 - 8.6-11.3 Violated in 0 structures by 0.00 A. Peak 12167 from cnoeabs.peaks (2.54, 1.87, 32.20 ppm; 5.11 A): 2 out of 8 assignments used, quality = 1.00: HG3 GLN 72 + HB3 LYS 68 OK 95 100 95 100 5.3-6.7 9563=73, 12324/3.0=45...(24) HG2 MET 74 + HB3 LYS 39 OK 93 95 100 98 3.5-5.9 ~12073=44, ~9609=43...(18) HB3 ASP 36 - HB3 LYS 39 poor 13 66 20 - 6.2-8.8 HB2 ASP 36 - HB3 LYS 39 far 10 64 15 - 6.4-8.7 HB2 ASP 61 - HB3 LYS 68 far 0 75 0 - 8.0-10.7 HG3 GLN 72 - HB3 LYS 39 far 0 98 0 - 8.5-11.2 HG3 GLU 63 - HB3 LYS 68 far 0 85 0 - 8.9-10.8 HG2 MET 74 - HB3 LYS 68 far 0 97 0 - 9.6-13.3 Violated in 7 structures by 0.04 A. Peak 12172 from cnoeabs.peaks (1.34, 0.62, 13.70 ppm; 3.83 A): 2 out of 10 assignments used, quality = 1.00: HG LEU 14 + QD1 ILE 7 OK 97 99 100 98 2.5-3.2 11079=46, 2.1/10272=35...(30) QB ALA 89 + QD1 ILE 7 OK 86 100 100 86 1.8-2.3 9940/10378=25...(23) HG12 ILE 8 - QD1 ILE 7 far 0 89 0 - 5.6-6.3 HB3 ARG 30 - QD1 ILE 7 far 0 77 0 - 6.6-7.9 QB ALA 67 - QD1 ILE 7 far 0 100 0 - 7.3-8.4 QB ALA 25 - QD1 ILE 7 far 0 100 0 - 8.0-8.7 HB3 LEU 27 - QD1 ILE 7 far 0 100 0 - 8.4-9.5 HG3 LYS 94 - QD1 ILE 7 far 0 57 0 - 8.5-11.3 HB2 LYS 82 - QD1 ILE 7 far 0 100 0 - 9.2-9.8 HG2 LYS 94 - QD1 ILE 7 far 0 100 0 - 9.9-11.9 Violated in 0 structures by 0.00 A. Peak 12173 from cnoeabs.peaks (2.01, 3.85, 55.10 ppm; 4.59 A): 2 out of 9 assignments used, quality = 0.99: QE MET 74 + HA ALA 71 OK 98 98 100 100 1.9-4.7 3.4/9552=54, 3.4/9613=51...(25) HG12 ILE 93 + HA ALA 22 OK 29 32 95 96 3.9-6.4 ~11004=41, ~10327=37...(17) QE MET 74 - HA ALA 67 poor 15 74 30 67 5.3-7.8 10282/10817=20...(16) HB2 GLU 35 - HA ALA 67 far 8 76 10 - 5.4-7.4 HB2 ARG 46 - HA ALA 71 far 0 64 0 - 6.3-9.6 HB3 LYS 94 - HA ALA 22 far 0 42 0 - 7.0-8.4 HB2 GLU 37 - HA ALA 67 far 0 47 0 - 8.1-10.5 HB3 GLU 17 - HA ALA 22 far 0 45 0 - 9.8-10.5 HB2 GLU 98 - HA ALA 22 far 0 25 0 - 9.9-11.6 Violated in 1 structures by 0.00 A. Peak 12175 from cnoeabs.peaks (2.54, 1.41, 18.50 ppm; 5.25 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 72 + QB ALA 71 OK 100 100 100 100 3.1-4.3 12298=83, 3.0/10842=77...(18) HG2 MET 74 + QB ALA 71 OK 97 98 100 100 3.6-6.2 9613/2.1=78, ~9552=63...(22) Violated in 0 structures by 0.00 A. Peak 12176 from cnoeabs.peaks (0.80, 1.41, 18.50 ppm; 3.54 A): 2 out of 14 assignments used, quality = 0.98: QD1 ILE 76 + QB ALA 71 OK 95 100 100 95 3.5-4.4 3.2/10834=35, 3454=34...(25) QD2 LEU 42 + QB ALA 71 OK 57 69 100 82 2.2-3.6 ~10414=23, 3.1/10835=19...(21) QD1 LEU 70 - QB ALA 71 poor 19 96 20 - 5.0-5.6 QD1 LEU 6 - QB ALA 71 poor 15 77 20 - 4.8-7.6 QD2 LEU 38 - QB ALA 71 far 13 89 15 - 4.2-7.3 QG1 VAL 54 - QB ALA 71 poor 13 59 80 27 4.3-6.2 2.1/9234=13, 10210=7...(6) QD2 LEU 70 - QB ALA 71 far 5 100 5 - 4.9-5.6 QD2 LEU 103 - QB ALA 71 far 0 84 0 - 5.6-14.5 QG2 ILE 52 - QB ALA 71 far 0 89 0 - 6.1-9.6 QG2 VAL 32 - QB ALA 71 far 0 75 0 - 6.6-7.7 QD1 LEU 57 - QB ALA 71 far 0 82 0 - 7.9-10.0 QD2 LEU 57 - QB ALA 71 far 0 100 0 - 7.9-8.6 QG2 ILE 8 - QB ALA 71 far 0 97 0 - 8.4-9.3 QD2 LEU 2 - QB ALA 71 far 0 99 0 - 8.7-11.8 Violated in 0 structures by 0.00 A. Peak 12177 from cnoeabs.peaks (7.44, 2.16, 28.10 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HE22 GLN 72 + HB2 GLN 72 OK 100 100 100 100 3.6-4.4 4.4=100 Violated in 0 structures by 0.00 A. Peak 12179 from cnoeabs.peaks (7.44, 2.23, 28.10 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: HE22 GLN 72 + HB3 GLN 72 OK 99 99 100 100 2.5-5.1 4.4=100 Violated in 0 structures by 0.00 A. Peak 12181 from cnoeabs.peaks (2.16, 1.49, 25.00 ppm; 4.91 A): 7 out of 27 assignments used, quality = 1.00: HB2 GLN 72 + HG2 LYS 73 OK 99 100 100 99 4.8-5.3 7198/7207=76...(8) HB3 GLU 69 + HG2 LYS 73 OK 56 69 100 80 4.0-5.6 4.6/10819=33, 10461=23...(13) HB2 GLU 69 + HG2 LYS 73 OK 53 69 95 80 4.5-6.6 4.6/10819=33...(12) HB3 GLU 37 + HG3 LYS 33 OK 43 52 100 82 3.4-4.9 8810/6535=35...(10) HG2 MET 1 + HG3 LYS 53 OK 38 41 95 97 4.0-6.6 ~8027=38, ~12114=35...(18) HG2 MET 1 + HG2 LYS 53 OK 32 33 100 97 3.1-6.0 ~8027=38, ~12114=35...(21) HG2 GLU 44 + HG2 LYS 47 OK 30 84 40 89 5.0-10.1 4.0/12088=67...(11) HG3 PRO 86 - HG3 LYS 13 far 10 65 15 - 5.8-7.7 HB3 GLU 16 - HG3 LYS 13 far 5 99 5 - 6.1-9.1 HG2 GLU 69 - HG2 LYS 73 far 3 69 5 - 3.8-8.1 HG3 GLU 75 - HG2 LYS 73 far 0 97 0 - 6.6-7.9 HG2 GLU 75 - HG2 LYS 73 far 0 98 0 - 6.6-8.6 HB3 GLU 23 - HG3 LYS 24 far 0 85 0 - 6.6-7.5 HG2 GLU 43 - HG2 LYS 47 far 0 81 0 - 6.9-10.5 HG3 GLU 35 - HG2 LYS 73 far 0 65 0 - 7.2-10.2 HG2 GLU 35 - HG2 LYS 73 far 0 65 0 - 8.0-11.7 HB3 GLN 50 - HG2 LYS 53 far 0 60 0 - 8.2-11.9 HB2 GLU 63 - HG3 LYS 33 far 0 49 0 - 8.6-10.3 HB2 GLU 75 - HG2 LYS 73 far 0 85 0 - 8.8-9.3 HB3 GLU 75 - HG2 LYS 73 far 0 79 0 - 9.1-9.8 HG2 GLU 35 - HG3 LYS 33 far 0 50 0 - 9.2-11.0 HG2 GLU 43 - HG2 LYS 73 far 0 80 0 - 9.2-12.0 HB2 GLU 75 - HG2 LYS 47 far 0 85 0 - 9.6-13.4 HB3 GLN 50 - HG3 LYS 53 far 0 72 0 - 9.8-12.0 HG3 GLU 35 - HG3 LYS 33 far 0 50 0 - 9.9-11.5 HB3 GLU 95 - HG2 LYS 53 far 0 65 0 - 10.0-13.6 HB3 GLN 50 - HG2 LYS 47 far 0 97 0 - 10.0-12.3 Violated in 0 structures by 0.00 A. Peak 12182 from cnoeabs.peaks (2.23, 1.49, 25.00 ppm; 4.80 A): 4 out of 15 assignments used, quality = 1.00: HB3 GLN 72 + HG2 LYS 73 OK 99 100 100 99 3.4-5.8 7199/7207=72, ~10845=54...(10) HG2 GLU 37 + HG3 LYS 33 OK 55 64 100 87 2.0-4.7 8817/6523=39...(10) HG2 MET 1 + HG3 LYS 53 OK 44 50 90 98 4.0-6.6 ~8027=37, 9180/5.0=35...(17) HG2 MET 1 + HG2 LYS 53 OK 40 41 100 98 3.1-6.0 ~8027=37, 9180/5.0=35...(21) HG2 GLU 17 - HG3 LYS 13 poor 19 95 20 - 5.4-7.8 HG2 GLU 99 - HG3 LYS 53 far 11 76 15 - 5.6-11.3 HG3 PRO 86 - HG3 LYS 13 far 10 65 15 - 5.8-7.7 HG3 GLU 35 - HG2 LYS 73 far 0 69 0 - 7.2-10.2 HG2 GLU 99 - HG2 LYS 53 far 0 63 0 - 7.3-12.7 HG2 GLU 35 - HG2 LYS 73 far 0 69 0 - 8.0-11.7 HG2 GLU 98 - HG3 LYS 24 far 0 80 0 - 8.6-11.8 HB2 GLU 63 - HG3 LYS 33 far 0 56 0 - 8.6-10.3 HG2 GLU 35 - HG3 LYS 33 far 0 54 0 - 9.2-11.0 HG2 GLU 98 - HG3 LYS 53 far 0 72 0 - 9.9-13.1 HG3 GLU 35 - HG3 LYS 33 far 0 54 0 - 9.9-11.5 Violated in 0 structures by 0.00 A. Peak 12183 from cnoeabs.peaks (2.16, 1.60, 25.00 ppm; 5.64 A): 7 out of 20 assignments used, quality = 1.00: HB2 GLN 72 + HG3 LYS 73 OK 100 100 100 100 5.0-5.4 10845=97, 7198/7208=94...(17) HB3 GLU 23 + HG2 LYS 24 OK 67 92 95 76 6.6-7.9 4.6/6385=73, 3094/3.7=12 HB3 GLU 69 + HG3 LYS 73 OK 49 69 100 70 3.7-6.9 3.0/9581=26...(11) HB2 GLU 69 + HG3 LYS 73 OK 46 69 95 69 4.2-7.4 3.0/9581=26, ~10461=21...(10) HG2 GLU 44 + HG3 LYS 47 OK 32 59 60 92 5.1-8.7 4.0/12089=70, ~10186=22...(12) HG3 GLU 75 + HG3 LYS 73 OK 32 97 80 41 6.3-8.2 10864/7220=26, 9621/4.1=18 HG3 PRO 86 + HG3 LYS 90 OK 29 37 95 83 4.4-7.3 ~11077=22, 3.8/1085=16...(16) HG2 GLU 43 - HG3 LYS 47 poor 17 56 30 - 6.3-9.4 HB3 GLU 16 - HG3 LYS 12 far 15 99 15 - 5.4-9.1 HG2 GLU 69 - HG3 LYS 73 poor 14 69 45 46 4.8-8.6 4.1/9581=22, ~10461=17...(4) HG2 GLU 75 - HG3 LYS 73 far 5 98 5 - 7.1-8.6 HB3 GLU 16 - HG3 LYS 90 far 3 65 5 - 7.0-10.1 HG2 GLU 88 - HG3 LYS 90 far 0 56 0 - 7.2-9.6 HG3 GLU 35 - HG3 LYS 73 far 0 65 0 - 7.3-10.7 HG2 GLU 35 - HG3 LYS 73 far 0 65 0 - 7.8-12.2 HG2 GLU 43 - HG3 LYS 73 far 0 80 0 - 8.1-12.2 HB2 GLU 75 - HG3 LYS 73 far 0 85 0 - 8.5-9.3 HB3 GLU 75 - HG3 LYS 73 far 0 79 0 - 9.1-9.7 HB2 GLU 75 - HG3 LYS 47 far 0 60 0 - 9.2-12.3 HB3 GLU 23 - HG3 LYS 90 far 0 64 0 - 9.2-12.4 Violated in 0 structures by 0.00 A. Peak 12185 from cnoeabs.peaks (2.53, 1.96, 32.30 ppm; 4.88 A): 3 out of 7 assignments used, quality = 1.00: HG2 MET 74 + HB2 LYS 73 OK 99 100 100 99 2.9-5.0 7228/4.6=63...(20) HG2 MET 74 + HB3 LYS 73 OK 98 100 100 99 4.2-5.8 7228/4.6=63...(18) HG3 GLU 23 + HB3 LYS 20 OK 29 31 95 97 3.9-6.5 10471/3.0=27, ~856=25...(23) HG3 GLN 72 - HB2 LYS 73 poor 20 99 20 - 4.6-7.1 HG3 GLN 72 - HB3 LYS 73 far 10 99 10 - 5.9-8.1 HG3 GLU 23 - HB3 LYS 24 far 5 45 10 - 3.8-7.3 HG3 GLU 23 - HB2 LYS 24 far 2 45 5 - 4.8-7.0 Violated in 0 structures by 0.00 A. Peak 12186 from cnoeabs.peaks (2.62, 1.96, 32.30 ppm; 5.46 A): 2 out of 4 assignments used, quality = 1.00: HG3 MET 74 + HB2 LYS 73 OK 99 100 100 99 4.4-5.7 7229/4.6=74...(19) HG3 MET 74 + HB3 LYS 73 OK 94 100 95 99 5.8-7.0 7229/4.6=74...(17) HB3 ASP 77 - HB2 MET 1 far 0 51 0 - 8.2-10.9 HG3 MET 74 - HB2 LYS 47 far 0 96 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 12187 from cnoeabs.peaks (2.53, 1.96, 32.30 ppm; 4.88 A): 3 out of 7 assignments used, quality = 1.00: HG2 MET 74 + HB2 LYS 73 OK 99 100 100 99 2.9-5.0 7228/4.6=63...(20) HG2 MET 74 + HB3 LYS 73 OK 98 100 100 99 4.2-5.8 7228/4.6=63...(18) HG3 GLU 23 + HB3 LYS 20 OK 29 31 95 97 3.9-6.5 10471/3.0=27, ~856=25...(23) HG3 GLN 72 - HB2 LYS 73 poor 20 99 20 - 4.6-7.1 HG3 GLN 72 - HB3 LYS 73 far 10 99 10 - 5.9-8.1 HG3 GLU 23 - HB3 LYS 24 far 5 45 10 - 3.8-7.3 HG3 GLU 23 - HB2 LYS 24 far 2 45 5 - 4.8-7.0 Violated in 0 structures by 0.00 A. Peak 12188 from cnoeabs.peaks (2.62, 1.96, 32.30 ppm; 5.46 A): 2 out of 4 assignments used, quality = 1.00: HG3 MET 74 + HB2 LYS 73 OK 99 100 100 99 4.4-5.7 7229/4.6=74...(19) HG3 MET 74 + HB3 LYS 73 OK 94 100 95 99 5.8-7.0 7229/4.6=74...(17) HB3 ASP 77 - HB2 MET 1 far 0 51 0 - 8.2-10.9 HG3 MET 74 - HB2 LYS 47 far 0 96 0 - 9.6-13.7 Violated in 0 structures by 0.00 A. Peak 12193 from cnoeabs.peaks (1.37, 2.01, 17.30 ppm; 4.10 A): 3 out of 7 assignments used, quality = 0.99: HB2 LEU 70 + QE MET 74 OK 90 98 95 97 2.8-5.8 10276=49, 9543/9605=48...(17) HG2 LYS 39 + QE MET 74 OK 79 79 100 100 1.9-4.6 1.8/12073=70, 12072=50...(25) QB ALA 71 + QE MET 74 OK 44 53 95 87 3.4-5.6 2.1/12173=41, ~9552=27...(14) QB ALA 67 - QE MET 74 far 0 65 0 - 5.8-7.6 HG3 LYS 40 - QE MET 74 far 0 95 0 - 6.1-7.9 HG3 LYS 68 - QE MET 74 far 0 85 0 - 8.1-12.1 HG12 ILE 8 - QE MET 74 far 0 97 0 - 10.0-12.0 Violated in 3 structures by 0.00 A. Peak 12194 from cnoeabs.peaks (3.07, 5.19, 58.80 ppm; 5.99 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 79 + HA VAL 78 OK 99 100 100 99 2.5-6.6 5.8/7284=74, 12196=70...(13) HD3 ARG 79 + HA VAL 78 OK 99 100 100 99 3.6-7.0 5.8/7284=74...(11) HB2 PHE 96 - HA VAL 78 far 0 80 0 - 8.9-10.1 HB3 HIS 105 - HA VAL 78 far 0 100 0 - 8.9-19.6 Violated in 0 structures by 0.00 A. Peak 12195 from cnoeabs.peaks (3.07, 5.19, 58.80 ppm; 5.99 A): 2 out of 4 assignments used, quality = 1.00: HD2 ARG 79 + HA VAL 78 OK 99 100 100 99 2.5-6.6 5.8/7284=74, 12196=70...(13) HD3 ARG 79 + HA VAL 78 OK 99 100 100 99 3.6-7.0 5.8/7284=74...(11) HB2 PHE 96 - HA VAL 78 far 0 80 0 - 8.9-10.1 HB3 HIS 105 - HA VAL 78 far 0 100 0 - 8.9-19.6 Violated in 0 structures by 0.00 A. Peak 12196 from cnoeabs.peaks (5.19, 3.07, 43.10 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.90: HA VAL 78 + HD2 ARG 79 OK 84 100 90 93 2.5-6.6 7284/5.8=51, 12194=28...(13) HA VAL 78 + HD3 ARG 79 OK 37 100 40 91 3.6-7.0 7284/5.8=51, 12194=28...(10) HA VAL 54 - HD2 ARG 79 poor 19 75 25 - 4.5-10.0 HA VAL 54 - HD3 ARG 79 far 7 75 10 - 4.7-10.0 Violated in 11 structures by 0.10 A. Peak 12197 from cnoeabs.peaks (5.19, 3.07, 43.10 ppm; 4.95 A): 2 out of 4 assignments used, quality = 0.90: HA VAL 78 + HD2 ARG 79 OK 84 100 90 93 2.5-6.6 7284/5.8=51, 12194=28...(13) HA VAL 78 + HD3 ARG 79 OK 37 100 40 91 3.6-7.0 7284/5.8=51, 12194=28...(10) HA VAL 54 - HD2 ARG 79 poor 19 75 25 - 4.5-10.0 HA VAL 54 - HD3 ARG 79 far 7 75 10 - 4.7-10.0 Violated in 11 structures by 0.10 A. Peak 12198 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.31 A): 3 out of 8 assignments used, quality = 1.00: HA LEU 55 + HG2 ARG 79 OK 97 100 100 97 2.1-5.7 12329/3.0=54...(16) HA LEU 55 + HG3 ARG 79 OK 96 99 100 97 2.3-5.6 12329/3.0=54...(16) HA LEU 55 + HG LEU 6 OK 36 91 60 66 5.0-8.2 8217/5.3=25...(11) HA LEU 27 - HG LEU 2 far 0 82 0 - 6.7-8.6 HA LEU 27 - HG3 ARG 30 far 0 57 0 - 8.5-9.9 HA LYS 82 - HG2 ARG 79 far 0 74 0 - 8.8-12.2 HA LYS 82 - HG3 ARG 79 far 0 73 0 - 9.5-12.1 HA LEU 27 - HG LEU 6 far 0 81 0 - 9.8-11.8 Violated in 10 structures by 0.11 A. Peak 12199 from cnoeabs.peaks (4.67, 1.53, 26.80 ppm; 4.31 A): 3 out of 8 assignments used, quality = 1.00: HA LEU 55 + HG2 ARG 79 OK 97 100 100 97 2.1-5.7 12329/3.0=54...(16) HA LEU 55 + HG3 ARG 79 OK 96 99 100 97 2.3-5.6 12329/3.0=54...(16) HA LEU 55 + HG LEU 6 OK 36 91 60 66 5.0-8.2 8217/5.3=25...(11) HA LEU 27 - HG LEU 2 far 0 82 0 - 6.7-8.6 HA LEU 27 - HG3 ARG 30 far 0 57 0 - 8.5-9.9 HA LYS 82 - HG2 ARG 79 far 0 74 0 - 8.8-12.2 HA LYS 82 - HG3 ARG 79 far 0 73 0 - 9.5-12.1 HA LEU 27 - HG LEU 6 far 0 81 0 - 9.8-11.8 Violated in 10 structures by 0.11 A. Peak 12200 from cnoeabs.peaks (1.94, 0.71, 13.70 ppm; 3.61 A): 1 out of 15 assignments used, quality = 1.00: HB VAL 32 + QD1 ILE 8 OK 100 100 100 100 1.9-3.4 12204/2.1=62...(25) HB VAL 32 - QD1 ILE 56 far 5 98 5 - 4.1-7.9 HB2 GLU 37 - QD1 ILE 8 far 0 63 0 - 5.7-8.3 HB2 GLU 37 - QD1 ILE 56 far 0 59 0 - 6.1-12.0 HB3 LYS 33 - QD1 ILE 8 far 0 85 0 - 6.7-8.5 HB2 LYS 33 - QD1 ILE 8 far 0 88 0 - 6.8-8.4 HB3 MET 74 - QD1 ILE 56 far 0 85 0 - 7.9-9.7 HB2 ARG 46 - QD1 ILE 56 far 0 65 0 - 8.1-11.8 HB3 ARG 46 - QD1 ILE 56 far 0 89 0 - 8.6-12.1 HB3 LEU 14 - QD1 ILE 8 far 0 61 0 - 8.9-10.5 HB3 LYS 33 - QD1 ILE 56 far 0 81 0 - 8.9-12.9 HB2 LYS 33 - QD1 ILE 56 far 0 84 0 - 9.2-13.2 HB2 LYS 73 - QD1 ILE 56 far 0 91 0 - 9.3-10.9 HB3 ARG 19 - QD1 ILE 56 far 0 95 0 - 9.7-14.4 QE MET 1 - QD1 ILE 56 far 0 61 0 - 9.7-12.1 Violated in 0 structures by 0.00 A. Peak 12201 from cnoeabs.peaks (1.46, 0.71, 13.70 ppm; 3.79 A): 2 out of 32 assignments used, quality = 0.98: HG LEU 38 + QD1 ILE 8 OK 88 100 100 88 2.9-5.1 3.0/12202=23...(21) HB2 LEU 38 + QD1 ILE 8 OK 83 100 95 88 3.9-5.9 1.8/12202=26, 8856=26...(21) HB3 LEU 64 - QD1 ILE 8 poor 17 77 45 50 4.9-6.2 9376/8307=9, 3.9/9467=8...(12) HG3 LYS 66 - QD1 ILE 8 poor 14 71 20 - 4.6-7.3 HB2 LEU 38 - QD1 ILE 56 poor 12 97 30 40 4.4-7.9 1.8/12202=13, 8856=5...(12) HG LEU 38 - QD1 ILE 56 poor 8 98 25 33 3.9-7.8 3.0/12202=11, ~10674=6...(10) HG2 LYS 66 - QD1 ILE 8 far 8 75 10 - 4.6-7.8 HG12 ILE 7 - QD1 ILE 8 far 7 65 10 - 4.1-7.1 HG LEU 29 - QD1 ILE 56 far 0 81 0 - 5.7-10.4 HG12 ILE 7 - QD1 ILE 56 far 0 61 0 - 6.0-8.4 HB3 LEU 64 - QD1 ILE 56 far 0 73 0 - 6.0-8.6 HG LEU 64 - QD1 ILE 8 far 0 92 0 - 6.2-7.2 HG LEU 64 - QD1 ILE 56 far 0 88 0 - 6.2-9.2 QB ALA 22 - QD1 ILE 56 far 0 81 0 - 6.7-9.3 HD2 LYS 82 - QD1 ILE 8 far 0 100 0 - 6.9-9.8 HD2 LYS 53 - QD1 ILE 56 far 0 98 0 - 7.2-10.4 HG3 LYS 39 - QD1 ILE 8 far 0 93 0 - 7.3-10.1 HG3 LYS 53 - QD1 ILE 56 far 0 97 0 - 7.4-11.5 HG13 ILE 52 - QD1 ILE 56 far 0 98 0 - 7.4-12.5 HG3 LYS 39 - QD1 ILE 56 far 0 89 0 - 7.7-10.5 HG13 ILE 76 - QD1 ILE 56 far 0 82 0 - 8.1-9.8 HG LEU 29 - QD1 ILE 8 far 0 85 0 - 8.1-10.3 HB2 LEU 27 - QD1 ILE 56 far 0 98 0 - 8.4-11.0 HG3 LYS 66 - QD1 ILE 56 far 0 67 0 - 8.5-10.7 HG2 LYS 53 - QD1 ILE 56 far 0 98 0 - 8.6-11.5 QB ALA 22 - QD1 ILE 8 far 0 85 0 - 8.8-10.1 HG2 LYS 66 - QD1 ILE 56 far 0 71 0 - 8.9-10.9 HD2 LYS 82 - QD1 ILE 56 far 0 98 0 - 9.0-12.2 HG2 LYS 73 - QD1 ILE 56 far 0 69 0 - 9.6-12.2 HD2 LYS 40 - QD1 ILE 8 far 0 100 0 - 9.6-12.9 HD2 LYS 40 - QD1 ILE 56 far 0 98 0 - 9.6-14.0 HD3 LYS 40 - QD1 ILE 56 far 0 97 0 - 9.8-13.5 Violated in 6 structures by 0.06 A. Peak 12202 from cnoeabs.peaks (2.07, 0.71, 13.70 ppm; 5.07 A): 2 out of 17 assignments used, quality = 0.99: HB3 LEU 38 + QD1 ILE 8 OK 98 100 100 98 2.9-5.6 1.8/12201=40...(28) HB3 LEU 38 + QD1 ILE 56 OK 48 98 90 54 4.2-7.7 8857=11, ~9322=8...(14) HB3 GLU 35 - QD1 ILE 8 poor 9 99 25 35 6.0-7.9 1629/12201=12...(6) HG12 ILE 93 - QD1 ILE 56 far 3 67 5 - 6.5-9.3 HG3 GLU 37 - QD1 ILE 8 far 3 59 5 - 5.1-8.4 HB3 GLU 62 - QD1 ILE 8 far 0 94 0 - 7.1-9.3 HB2 MET 74 - QD1 ILE 56 far 0 97 0 - 7.6-10.1 HB3 GLU 35 - QD1 ILE 56 far 0 96 0 - 7.9-11.0 HG3 GLU 37 - QD1 ILE 56 far 0 55 0 - 7.9-11.6 HG3 GLU 104 - QD1 ILE 56 far 0 78 0 - 8.5-15.4 HG12 ILE 93 - QD1 ILE 8 far 0 71 0 - 8.7-10.9 HB3 GLU 43 - QD1 ILE 56 far 0 97 0 - 9.3-11.5 QE MET 21 - QD1 ILE 56 far 0 76 0 - 9.5-11.8 HB3 GLU 88 - QD1 ILE 8 far 0 100 0 - 9.6-11.5 HG2 GLU 28 - QD1 ILE 56 far 0 97 0 - 9.9-12.8 HG3 GLU 28 - QD1 ILE 56 far 0 97 0 - 9.9-12.5 HB2 GLU 99 - QD1 ILE 56 far 0 78 0 - 10.0-15.1 Violated in 1 structures by 0.00 A. Peak 12203 from cnoeabs.peaks (1.94, 0.89, 26.30 ppm; 4.00 A): 1 out of 4 assignments used, quality = 1.00: HB VAL 32 + HG13 ILE 8 OK 100 100 100 100 1.8-3.6 12204/1.8=80...(25) HB2 GLU 37 - HG13 ILE 8 far 0 63 0 - 6.0-10.6 HB2 LYS 33 - HG13 ILE 8 far 0 88 0 - 6.7-9.4 HB3 LYS 33 - HG13 ILE 8 far 0 85 0 - 6.8-9.6 Violated in 0 structures by 0.00 A. Peak 12204 from cnoeabs.peaks (1.94, 1.36, 26.30 ppm; 3.83 A): 1 out of 5 assignments used, quality = 1.00: HB VAL 32 + HG12 ILE 8 OK 100 100 100 100 1.9-4.1 12200/2.1=74...(21) HB2 GLU 37 - HG12 ILE 8 far 0 63 0 - 6.1-10.3 HB2 LYS 33 - HG12 ILE 8 far 0 88 0 - 7.6-9.6 HB3 LYS 33 - HG12 ILE 8 far 0 85 0 - 7.9-9.9 HB3 LEU 14 - HG12 ILE 8 far 0 61 0 - 9.8-10.9 Violated in 2 structures by 0.02 A. Peak 12205 from cnoeabs.peaks (1.94, 0.79, 17.50 ppm; 3.31 A): 2 out of 23 assignments used, quality = 0.98: HB VAL 32 + QG2 ILE 8 OK 97 100 100 98 2.0-3.4 12200/3.0=47...(22) HB3 ARG 19 + QG2 ILE 15 OK 22 71 35 87 3.6-5.3 8516=26, 3.0/8519=23...(14) HB2 LYS 33 - QG2 ILE 8 far 9 87 10 - 4.7-6.0 HB3 ARG 46 - QG2 ILE 52 far 3 62 5 - 3.7-7.5 HB2 ARG 46 - QG2 ILE 52 far 2 43 5 - 4.0-7.5 QE MET 1 - QG2 ILE 52 far 0 40 0 - 4.9-6.5 HB3 LYS 33 - QG2 ILE 8 far 0 84 0 - 5.2-6.4 HB3 LEU 14 - QG2 ILE 15 far 0 39 0 - 5.8-6.0 HB3 LYS 47 - QG2 ILE 52 far 0 65 0 - 5.8-7.7 HB2 GLU 37 - QG2 ILE 8 far 0 62 0 - 5.9-8.0 HB2 MET 1 - QG2 ILE 52 far 0 73 0 - 6.0-8.0 HB2 LYS 47 - QG2 ILE 52 far 0 52 0 - 6.1-7.8 HB2 GLU 17 - QG2 ILE 15 far 0 75 0 - 6.4-7.9 HB3 MET 74 - QG2 ILE 52 far 0 59 0 - 6.8-10.7 HB2 LYS 13 - QG2 ILE 15 far 0 58 0 - 7.5-7.9 HB VAL 32 - QG2 ILE 15 far 0 75 0 - 7.5-8.2 HB3 LYS 13 - QG2 ILE 15 far 0 56 0 - 7.5-7.9 HB2 GLU 43 - QG2 ILE 52 far 0 43 0 - 7.9-10.3 HB2 LYS 33 - QG2 ILE 15 far 0 60 0 - 8.0-9.2 HB3 LYS 20 - QG2 ILE 15 far 0 74 0 - 8.4-9.1 HB3 LEU 14 - QG2 ILE 8 far 0 60 0 - 8.6-9.2 HB3 LYS 33 - QG2 ILE 15 far 0 57 0 - 9.1-10.0 HB2 GLU 37 - QG2 ILE 15 far 0 40 0 - 9.3-10.9 Violated in 1 structures by 0.00 A. Peak 12206 from cnoeabs.peaks (1.53, 0.98, 22.10 ppm; 3.76 A): 1 out of 12 assignments used, quality = 1.00: HG12 ILE 56 + QG2 THR 80 OK 100 100 100 100 2.6-4.0 2.9/9729=65, 3.2/9734=59...(29) HG2 ARG 79 - QG2 THR 80 far 15 100 15 - 5.1-7.6 HG3 ARG 79 - QG2 THR 80 far 0 100 0 - 5.7-7.6 HG2 LYS 66 - QG2 THR 80 far 0 59 0 - 6.0-7.6 HG LEU 6 - QG2 THR 80 far 0 100 0 - 6.0-7.8 HG3 LYS 66 - QG2 THR 80 far 0 63 0 - 6.7-7.8 HG LEU 57 - QG2 THR 80 far 0 78 0 - 7.0-8.8 HD3 LYS 82 - QG2 THR 80 far 0 65 0 - 7.2-9.2 HB3 LEU 103 - QG2 THR 80 far 0 99 0 - 7.4-15.3 HB ILE 7 - QG2 THR 80 far 0 99 0 - 8.4-9.6 HG2 LYS 73 - QG2 THR 80 far 0 61 0 - 8.7-11.1 HD3 LYS 53 - QG2 THR 80 far 0 89 0 - 9.4-12.0 Violated in 4 structures by 0.03 A. Peak 12209 from cnoeabs.peaks (5.39, 1.06, 33.90 ppm; 6.40 A): 1 out of 1 assignment used, quality = 1.00: HA LEU 57 + HB3 ARG 81 OK 100 100 100 100 2.8-4.6 11122/7316=95, 12132=60...(14) Violated in 0 structures by 0.00 A. Peak 12212 from cnoeabs.peaks (5.81, 0.42, 25.90 ppm; 6.47 A): 1 out of 1 assignment used, quality = 0.85: HE ARG 81 + HG2 ARG 81 OK 85 85 100 100 2.3-4.0 4.0=100 Violated in 0 structures by 0.00 A. Peak 12214 from cnoeabs.peaks (3.08, 0.43, 25.90 ppm; 6.32 A): 3 out of 6 assignments used, quality = 0.99: HB2 TRP 92 + HG2 ARG 81 OK 86 87 100 99 3.9-6.5 1.8/12215=83...(11) HD3 ARG 79 + HG2 ARG 81 OK 78 100 90 87 2.1-8.6 3.8/9693=28, 3.8/9694=26...(15) HD2 ARG 79 + HG2 ARG 81 OK 65 100 75 87 3.8-9.0 3.8/9693=28, 3.8/9694=26...(15) HB2 PHE 96 - HG2 ARG 81 far 9 89 10 - 7.5-10.3 HB3 HIS 106 - HG2 ARG 81 far 9 88 10 - 6.0-17.8 HB3 HIS 105 - HG2 ARG 81 lone 1 98 25 3 4.9-14.5 Violated in 0 structures by 0.00 A. Peak 12215 from cnoeabs.peaks (3.19, 0.43, 25.90 ppm; 6.41 A): 1 out of 2 assignments used, quality = 0.98: HB3 TRP 92 + HG2 ARG 81 OK 98 100 100 99 4.9-7.6 5.3/10000=64...(12) HB2 HIS 106 - HG2 ARG 81 poor 20 100 20 - 6.5-17.9 Violated in 4 structures by 0.08 A. Peak 12216 from cnoeabs.peaks (3.10, 0.74, 25.90 ppm; 6.50 A): 4 out of 6 assignments used, quality = 1.00: HB2 TRP 92 + HG3 ARG 81 OK 99 100 100 99 3.5-5.7 ~12215=71, 5.3/10001=60...(10) HD3 ARG 79 + HG3 ARG 81 OK 60 82 100 73 3.0-7.7 12214/1.8=22, ~12214=21...(12) HD2 ARG 79 + HG3 ARG 81 OK 55 79 95 74 4.6-8.3 ~12214=25, 12214/1.8=18...(12) HB2 PHE 96 + HG3 ARG 81 OK 29 100 70 41 7.0-9.6 9254/3614=14, ~10053=10...(7) HB3 HIS 105 - HG3 ARG 81 poor 16 65 25 - 6.1-14.8 HB2 HIS 105 - HG3 ARG 81 lone 1 87 25 3 5.9-14.8 Violated in 0 structures by 0.00 A. Peak 12220 from cnoeabs.peaks (2.11, 1.34, 32.60 ppm; 6.27 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 64 + HB2 LYS 82 OK 100 100 100 100 2.3-4.4 3.1/10252=100...(27) HB VAL 83 + HB2 LYS 82 OK 100 100 100 100 7.5-7.7 7353/4.6=86, ~9785=77...(7) HG3 GLU 104 - HB2 LYS 82 far 5 97 5 - 7.0-18.5 HG2 GLU 104 - HB2 LYS 82 far 3 63 5 - 6.9-17.5 HG2 GLU 88 - HB2 LYS 82 far 0 75 0 - 8.0-11.4 HB3 GLU 88 - HB2 LYS 82 far 0 71 0 - 8.5-9.2 HB3 GLU 62 - HB2 LYS 82 far 0 89 0 - 9.1-10.8 Violated in 0 structures by 0.00 A. Peak 12221 from cnoeabs.peaks (1.52, 2.19, 27.30 ppm; 5.09 A): 1 out of 5 assignments used, quality = 1.00: HB2 LEU 14 + HG3 PRO 86 OK 100 100 100 100 4.6-5.2 3.0/9890=66, 3.1/9889=65...(35) HG3 LYS 13 - HG3 PRO 86 far 13 87 15 - 5.8-7.7 HB2 ARG 91 - HG3 PRO 86 far 0 68 0 - 7.7-8.8 HG2 LYS 73 - HB3 GLU 75 far 0 71 0 - 9.1-9.8 HG LEU 57 - HG3 PRO 86 far 0 92 0 - 9.8-10.8 Violated in 1 structures by 0.01 A. Peak 12222 from cnoeabs.peaks (4.80, 1.81, 30.10 ppm; 4.55 A): 1 out of 4 assignments used, quality = 1.00: HA VAL 83 + HB2 GLU 88 OK 100 100 100 100 3.3-4.6 12223/1.8=80...(23) HA TRP 92 - HB2 GLU 104 far 7 74 10 - 2.1-13.9 HA TRP 92 - HB2 GLU 88 far 0 93 0 - 6.4-7.9 HA VAL 83 - HB2 GLU 104 far 0 83 0 - 8.9-19.9 Violated in 1 structures by 0.00 A. Peak 12223 from cnoeabs.peaks (4.80, 2.08, 30.10 ppm; 4.49 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 83 + HB3 GLU 88 OK 100 100 100 100 3.3-3.9 12222/1.8=77...(30) HA TRP 92 - HB3 GLU 88 far 0 93 0 - 7.2-7.6 Violated in 0 structures by 0.00 A. Peak 12224 from cnoeabs.peaks (6.87, 1.81, 30.10 ppm; 5.70 A): 1 out of 3 assignments used, quality = 1.00: HD1 TRP 92 + HB2 GLU 88 OK 100 100 100 100 4.4-5.9 2.6/9974=93...(16) HD1 TRP 92 - HB2 GLU 104 far 8 83 10 - 2.0-15.2 HE21 GLN 72 - HB2 GLU 104 far 0 74 0 - 7.6-20.2 Violated in 2 structures by 0.01 A. Peak 12225 from cnoeabs.peaks (6.87, 2.08, 30.10 ppm; 6.22 A): 1 out of 1 assignment used, quality = 1.00: HD1 TRP 92 + HB3 GLU 88 OK 100 100 100 100 5.5-6.2 12224/1.8=93, ~9974=83...(19) Violated in 0 structures by 0.00 A. Peak 12226 from cnoeabs.peaks (10.29, 1.81, 30.10 ppm; 5.64 A): 1 out of 2 assignments used, quality = 1.00: HE1 TRP 92 + HB2 GLU 88 OK 100 100 100 100 3.2-4.9 9974=99, 9973/3.0=82...(15) HE1 TRP 92 - HB2 GLU 104 far 8 83 10 - 2.8-15.7 Violated in 0 structures by 0.00 A. Peak 12227 from cnoeabs.peaks (10.29, 2.08, 30.10 ppm; 6.17 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 92 + HB3 GLU 88 OK 100 100 100 100 4.7-5.5 9974/1.8=100...(17) Violated in 0 structures by 0.00 A. Peak 12228 from cnoeabs.peaks (1.48, 3.90, 55.60 ppm; 5.42 A): 3 out of 5 assignments used, quality = 0.99: HB2 ARG 91 + HA ALA 89 OK 88 99 95 93 5.5-7.2 4033/3904=66...(9) HG LEU 57 + HA ALA 89 OK 85 85 100 99 2.0-2.6 2.1/10698=55...(20) HG3 ARG 91 + HA ALA 89 OK 70 87 100 80 6.4-6.6 7460/3904=37...(10) HG2 LYS 20 - HA ALA 89 far 0 93 0 - 9.7-11.8 HB3 LEU 64 - HA ALA 89 far 0 97 0 - 9.8-11.0 Violated in 0 structures by 0.00 A. Peak 12230 from cnoeabs.peaks (4.04, 2.99, 64.30 ppm; 5.74 A): 1 out of 2 assignments used, quality = 0.86: HB3 SER 59 + HB2 SER 9 OK 86 100 100 86 2.5-5.0 9405/3.0=56, ~9404=39...(9) HA GLU 16 - HB2 SER 9 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 12232 from cnoeabs.peaks (2.43, 1.74, 29.40 ppm; 5.21 A): 3 out of 4 assignments used, quality = 0.98: HG3 GLU 17 + HD2 LYS 90 OK 85 100 85 100 4.2-6.9 ~12027=43, ~11024=30...(51) HB3 MET 21 + HD2 LYS 90 OK 66 75 95 93 4.9-7.1 3.0/3977=26...(28) HG3 MET 21 + HD2 LYS 90 OK 65 77 90 95 3.4-7.6 1.8/3977=28, ~3955=28...(27) HB2 ASP 11 - HD2 LYS 90 far 0 100 0 - 8.9-13.5 Violated in 1 structures by 0.00 A. Peak 12233 from cnoeabs.peaks (2.24, 1.70, 29.40 ppm; 5.70 A): 3 out of 14 assignments used, quality = 1.00: HG2 GLU 17 + HD3 LYS 90 OK 99 99 100 100 2.5-7.0 ~12027=51, 11024/3.0=46...(45) HG2 GLU 17 + HD2 LYS 20 OK 50 63 100 79 3.8-6.8 ~10434=21, 6257/661=19...(13) HG2 GLU 17 + HD3 LYS 20 OK 42 56 100 75 3.9-6.8 ~10434=21, ~896=15...(15) HG2 GLU 95 - HB3 ARG 91 lone 4 55 100 7 3.8-6.9 ~4018=3, 12256/1820=2 HG2 GLU 17 - HD3 LYS 12 far 4 75 5 - 6.9-13.3 HG2 GLU 17 - HD2 LYS 12 far 4 75 5 - 7.0-11.9 HB2 GLU 95 - HB3 ARG 91 lone 2 47 100 5 5.1-6.9 ~4018=2, ~10460=1 HG2 GLU 23 - HD2 LYS 20 far 2 42 5 - 6.9-9.9 HG2 GLU 17 - HG12 ILE 15 far 0 99 0 - 7.7-9.5 HG2 GLU 23 - HD3 LYS 20 far 0 37 0 - 7.9-10.2 HG2 GLU 95 - HD3 LYS 90 far 0 74 0 - 8.2-12.3 HB2 GLU 95 - HD3 LYS 90 far 0 64 0 - 8.9-12.8 HG2 GLU 99 - HB3 ARG 91 far 0 71 0 - 9.6-13.2 HG2 GLU 17 - HB3 ARG 91 far 0 82 0 - 9.8-12.3 Violated in 0 structures by 0.00 A. Peak 12234 from cnoeabs.peaks (2.42, 1.71, 29.40 ppm; 4.72 A): 7 out of 17 assignments used, quality = 0.99: HG3 MET 21 + HD3 LYS 90 OK 60 74 90 89 3.7-7.4 ~3955=24, 9949/3918=21...(22) HG3 GLU 17 + HD3 LYS 90 OK 58 91 65 99 3.8-7.6 ~12027=35, 3.0/10433=27...(47) HB2 ASP 11 + HG12 ILE 15 OK 56 85 85 77 4.8-6.6 ~8445=25, 8376/4.6=21...(12) HG3 GLU 17 + HD2 LYS 90 OK 43 62 70 99 4.2-6.9 ~12027=35, ~11024=25...(50) HB3 MET 21 + HD3 LYS 90 OK 41 73 65 87 4.8-6.8 9949/3918=21, ~10310=18...(23) HG3 MET 21 + HD2 LYS 90 OK 32 48 75 90 3.4-7.6 ~3955=24, ~12042=20...(27) HB3 MET 21 + HD2 LYS 90 OK 29 47 70 88 4.9-7.1 ~10310=18, 9949/5.2=18...(24) HG3 MET 21 - HB3 ARG 91 far 0 43 0 - 7.2-9.4 HG3 GLU 17 - HD2 LYS 12 far 0 68 0 - 7.3-10.8 HG3 GLU 17 - HD3 LYS 12 far 0 68 0 - 7.3-11.6 HG3 GLU 17 - HG12 ILE 15 far 0 86 0 - 7.4-8.4 HB3 MET 21 - HB3 ARG 91 far 0 42 0 - 8.0-10.0 HB2 ASP 11 - HD2 LYS 12 far 0 67 0 - 8.0-8.5 HB2 ASP 11 - HD3 LYS 12 far 0 67 0 - 8.3-9.6 HB2 ASP 11 - HD2 LYS 90 far 0 61 0 - 8.9-13.5 HG3 GLU 99 - HB3 ARG 91 far 0 51 0 - 9.4-13.4 HB3 MET 21 - HG12 ILE 15 far 0 68 0 - 9.6-11.8 Violated in 0 structures by 0.00 A. Peak 12236 from cnoeabs.peaks (2.42, 2.81, 41.80 ppm; 4.58 A): 5 out of 13 assignments used, quality = 1.00: HG3 GLU 17 + HE2 LYS 90 OK 87 98 95 94 3.6-6.7 ~11024=30, 12232/3.0=20...(40) HG3 MET 1 + HE2 LYS 53 OK 79 90 90 97 4.2-6.3 3.3/8029=38, ~8027=33...(16) HG3 MET 21 + HE2 LYS 90 OK 59 94 90 70 4.2-7.4 ~3977=15, 12232/3.0=15...(11) HG3 MET 1 + HE3 LYS 53 OK 53 85 65 97 3.7-7.5 3.3/8029=38, ~8027=33...(16) HB3 MET 21 + HE2 LYS 90 OK 22 94 35 66 4.8-7.1 12232/3.0=16...(11) HG3 GLU 99 - HE2 LYS 53 far 4 77 5 - 5.6-13.2 HG3 GLU 99 - HE3 LYS 53 far 0 72 0 - 6.3-12.1 HG2 GLN 50 - HE3 LYS 53 far 0 76 0 - 7.8-14.1 HG3 GLN 50 - HE3 LYS 53 far 0 79 0 - 8.3-14.0 HG3 GLN 50 - HE2 LYS 53 far 0 85 0 - 8.3-13.2 HG2 GLN 50 - HE2 LYS 53 far 0 82 0 - 8.4-12.9 HG3 GLU 48 - HE2 LYS 53 far 0 86 0 - 8.8-13.1 HG3 GLU 48 - HE3 LYS 53 far 0 81 0 - 8.9-13.9 Violated in 0 structures by 0.00 A. Peak 12237 from cnoeabs.peaks (2.91, 3.89, 59.20 ppm; 5.48 A): 7 out of 15 assignments used, quality = 1.00: HE3 LYS 94 + HA ARG 91 OK 90 100 100 90 2.0-6.5 4.8/4184=34, 7.3/7502=20...(29) HE2 LYS 94 + HA ARG 91 OK 84 98 95 90 1.9-7.0 4.8/4184=34, 7.3/7502=20...(30) HE3 LYS 66 + HA GLU 35 OK 80 99 85 96 2.8-7.5 2.9/9509=30...(26) HE2 LYS 66 + HA GLU 35 OK 78 95 85 96 3.3-8.2 2.9/9509=30, 4.7/2884=22...(26) HG2 MET 21 + HA ARG 91 OK 69 76 100 90 3.8-6.6 ~8539=42, 8534/7502=26...(19) HE3 LYS 90 + HA ARG 91 OK 45 83 55 98 4.5-8.4 ~7437=56, ~3978=48...(20) HE3 LYS 39 + HA LYS 40 OK 22 33 85 78 4.3-8.2 ~6625=16, 4.9/10561=15...(18) HE2 LYS 39 - HA GLU 35 poor 17 58 30 - 4.9-8.8 HE2 LYS 39 - HA LYS 40 poor 17 27 80 78 4.2-8.4 ~6625=16, 4.9/10561=15...(18) HE3 LYS 39 - HA GLU 35 poor 14 70 20 - 4.7-9.0 HE3 LYS 39 - HA GLU 43 far 10 66 15 - 6.6-10.4 HE2 LYS 39 - HA GLU 43 far 8 55 15 - 6.4-10.3 HE3 LYS 73 - HA GLU 35 far 0 64 0 - 8.4-11.8 HE3 LYS 73 - HA GLU 43 far 0 61 0 - 9.6-14.1 HE3 LYS 73 - HA LYS 40 far 0 30 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 12238 from cnoeabs.peaks (2.92, 3.89, 59.20 ppm; 5.48 A): 6 out of 12 assignments used, quality = 1.00: HE3 LYS 94 + HA ARG 91 OK 89 99 100 90 2.0-6.5 4.8/4184=34, 7.3/7502=20...(29) HE2 LYS 94 + HA ARG 91 OK 85 100 95 90 1.9-7.0 4.8/4184=34, 7.3/7502=20...(30) HG2 MET 21 + HA ARG 91 OK 85 91 100 93 3.8-6.6 ~8539=42, 8534/7502=34...(19) HE3 LYS 66 + HA GLU 35 OK 75 92 85 95 2.8-7.5 2.9/9509=30, 4.7/2884=22...(26) HE2 LYS 66 + HA GLU 35 OK 68 84 85 95 3.3-8.2 2.9/9509=30, 4.7/2884=22...(26) HE3 LYS 90 + HA ARG 91 OK 51 95 55 98 4.5-8.4 ~7437=56, ~3978=48...(20) HE2 LYS 73 - HA GLU 35 far 4 74 5 - 7.0-12.8 HE3 LYS 73 - HA GLU 35 far 0 83 0 - 8.4-11.8 HE3 LYS 73 - HA GLU 43 far 0 79 0 - 9.6-14.1 HE2 LYS 73 - HA GLU 43 far 0 70 0 - 9.9-13.9 HE2 LYS 73 - HA LYS 40 far 0 36 0 - 9.9-14.3 HE3 LYS 73 - HA LYS 40 far 0 41 0 - 10.0-14.1 Violated in 0 structures by 0.00 A. Peak 12239 from cnoeabs.peaks (6.99, 1.48, 29.30 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.99: HE ARG 91 + HB2 ARG 91 OK 98 98 100 100 2.1-5.2 4.6=100 QE PHE 96 + HD2 LYS 53 OK 51 51 100 100 4.3-4.9 9214/1.8=83, 9206/3.6=43...(20) HD21 ASN 51 - HD2 LYS 53 far 0 71 0 - 7.6-11.2 Violated in 0 structures by 0.00 A. Peak 12245 from cnoeabs.peaks (3.10, 0.73, 30.80 ppm; 6.42 A): 2 out of 5 assignments used, quality = 0.99: HB2 PHE 96 + HG13 ILE 93 OK 90 90 100 100 4.6-5.6 4325/4.0=92, ~10031=61...(19) HB2 TRP 92 + HG13 ILE 93 OK 88 90 100 99 3.5-5.9 9987/10019=61...(16) HD3 ARG 79 - HG13 ILE 93 far 8 76 10 - 7.8-13.8 HD2 ARG 79 - HG13 ILE 93 far 4 73 5 - 7.8-13.2 HB3 HIS 105 - HG13 ILE 93 far 0 62 0 - 9.7-21.8 Violated in 0 structures by 0.00 A. Peak 12247 from cnoeabs.peaks (3.10, 2.03, 30.80 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: HB2 PHE 96 + HG12 ILE 93 OK 99 99 100 100 4.2-5.4 4325/4.0=92, ~10031=63...(14) HB2 TRP 92 + HG12 ILE 93 OK 99 99 100 100 4.0-6.4 4.5/4146=84...(11) HD2 ARG 79 - HG12 ILE 93 far 0 71 0 - 8.1-13.4 HD3 ARG 79 - HG12 ILE 93 far 0 75 0 - 8.3-13.6 Violated in 0 structures by 0.00 A. Peak 12249 from cnoeabs.peaks (3.87, 0.75, 17.00 ppm; 4.10 A): 2 out of 7 assignments used, quality = 0.99: HA LYS 94 + QG2 ILE 93 OK 99 100 100 99 2.8-3.4 ~7507=41, ~4137=37...(30) HA ARG 91 + QG2 ILE 93 OK 30 95 40 78 5.4-6.1 7502/4.3=24...(21) HA ALA 89 - QG2 ILE 93 far 0 77 0 - 6.0-6.6 HA2 GLY 100 - QG2 ILE 93 far 0 100 0 - 7.3-10.7 HA2 GLY 101 - QG2 ILE 93 far 0 100 0 - 7.3-11.9 HA3 GLY 101 - QG2 ILE 93 far 0 90 0 - 7.8-11.8 HB2 SER 102 - QG2 ILE 93 far 0 88 0 - 8.6-14.7 Violated in 0 structures by 0.00 A. Peak 12250 from cnoeabs.peaks (2.10, 1.62, 29.40 ppm; 4.07 A): 2 out of 18 assignments used, quality = 0.99: QE MET 21 + HD2 LYS 94 OK 97 100 100 98 2.0-3.3 8551/3.0=37...(31) QE MET 21 + HD3 LYS 94 OK 76 78 100 98 1.9-4.0 8551/3.0=37...(33) HB3 GLU 35 - HD3 LYS 39 poor 16 68 40 58 4.9-8.0 2.9/12308=11...(16) HB3 LEU 38 - HD3 LYS 39 far 6 58 10 - 5.3-8.5 HB2 MET 74 - HD3 LYS 39 far 0 42 0 - 5.9-9.1 HG3 GLU 104 - HD3 LYS 94 far 0 77 0 - 5.9-20.4 HB3 GLU 43 - HD3 LYS 39 far 0 45 0 - 6.4-8.6 HG3 GLU 37 - HD3 LYS 39 far 0 78 0 - 6.7-9.9 HB2 GLU 69 - HD3 LYS 39 far 0 60 0 - 7.2-10.7 HB3 GLU 37 - HD3 LYS 39 far 0 62 0 - 7.2-9.6 HG3 GLU 104 - HD2 LYS 94 far 0 100 0 - 7.3-19.8 HB3 GLU 69 - HD3 LYS 39 far 0 60 0 - 8.3-10.6 HG2 GLU 69 - HD3 LYS 39 far 0 60 0 - 8.5-13.0 HB3 PRO 86 - HD3 LYS 94 far 0 77 0 - 8.6-13.1 HB3 PRO 86 - HD2 LYS 94 far 0 99 0 - 8.7-13.9 HG2 GLU 44 - HD3 LYS 39 far 0 48 0 - 9.1-13.3 HB3 GLU 88 - HD3 LYS 94 far 0 62 0 - 9.6-13.8 HB3 GLU 88 - HD2 LYS 94 far 0 87 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 12251 from cnoeabs.peaks (2.10, 1.60, 29.40 ppm; 4.30 A): 2 out of 8 assignments used, quality = 1.00: QE MET 21 + HD3 LYS 94 OK 99 100 100 99 1.9-4.0 12253/3.0=40...(32) QE MET 21 + HD2 LYS 94 OK 71 73 100 98 2.0-3.3 12253/3.0=40...(30) HG3 GLU 104 - HD3 LYS 94 far 0 100 0 - 5.9-20.4 HG3 GLU 104 - HD2 LYS 94 far 0 73 0 - 7.3-19.8 HB3 PRO 86 - HD3 LYS 94 far 0 100 0 - 8.6-13.1 HB3 PRO 86 - HD2 LYS 94 far 0 72 0 - 8.7-13.9 HB3 GLU 88 - HD3 LYS 94 far 0 87 0 - 9.6-13.8 HB3 GLU 88 - HD2 LYS 94 far 0 58 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 12252 from cnoeabs.peaks (2.10, 1.34, 24.60 ppm; 4.65 A): 4 out of 8 assignments used, quality = 1.00: QE MET 21 + HG2 LYS 94 OK 99 100 100 99 3.6-4.5 8551=44, 12251/3.0=41...(26) HB3 GLU 43 + HG3 LYS 40 OK 36 50 95 75 3.5-6.6 4.4/8973=21, 1.8/4210=17...(12) HG2 GLU 44 + HG3 LYS 40 OK 32 53 90 68 3.1-8.5 4.8/8973=20...(10) HB3 GLU 37 + HG3 LYS 40 OK 23 67 35 98 5.1-8.5 ~8962=42, ~1794=40...(17) HG3 GLU 104 - HG2 LYS 94 far 5 100 5 - 5.7-18.0 HG3 GLU 37 - HG3 LYS 40 far 0 84 0 - 6.9-9.2 HB3 LEU 38 - HG3 LYS 40 far 0 63 0 - 9.0-9.7 HB2 MET 74 - HG3 LYS 40 far 0 46 0 - 9.3-11.7 Violated in 0 structures by 0.00 A. Peak 12253 from cnoeabs.peaks (2.10, 1.38, 24.60 ppm; 4.42 A): 3 out of 9 assignments used, quality = 0.99: QE MET 21 + HG3 LYS 94 OK 98 100 100 98 2.0-4.2 8551/1.8=48...(24) HG2 GLU 44 + HG3 LYS 40 OK 24 47 90 58 3.1-8.5 1.8/10185=18, ~10579=13...(10) HB3 GLU 43 + HG3 LYS 40 OK 24 44 95 57 3.5-6.6 1542/3.8=15, ~10580=10...(11) HB3 GLU 37 - HG3 LYS 40 poor 18 60 30 - 5.1-8.5 HG3 GLU 104 - HG3 LYS 94 far 5 100 5 - 5.2-17.5 HG3 GLU 37 - HG3 LYS 40 far 0 75 0 - 6.9-9.2 HB3 LEU 38 - HG3 LYS 40 far 0 55 0 - 9.0-9.7 HB2 MET 74 - HG3 LYS 40 far 0 41 0 - 9.3-11.7 HB3 GLU 88 - HG3 LYS 94 far 0 88 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 12255 from cnoeabs.peaks (2.50, 1.34, 24.60 ppm; 5.86 A): 3 out of 8 assignments used, quality = 0.94: HG3 GLU 98 + HG2 LYS 94 OK 77 88 100 88 2.9-6.4 10465=54, 12257/1.8=35...(7) HG3 GLU 95 + HG2 LYS 94 OK 69 79 90 97 3.4-7.9 4.8/7532=73...(7) HD2 ARG 91 + HG2 LYS 94 OK 21 99 35 60 4.8-10.1 4.8/4209=18...(10) HB3 ASP 36 - HG3 LYS 40 poor 18 77 45 53 5.1-8.9 8833/8963=16, ~8783=9...(12) HB2 ASP 36 - HG3 LYS 40 poor 12 77 30 52 6.5-9.2 8833/8963=16, ~8783=9...(11) HG2 MET 74 - HG3 LYS 40 far 0 53 0 - 8.1-12.3 HB3 ASP 87 - HG2 LYS 94 far 0 100 0 - 8.4-11.7 HB2 ASP 87 - HG2 LYS 94 far 0 100 0 - 8.8-12.6 Violated in 0 structures by 0.00 A. Peak 12256 from cnoeabs.peaks (2.24, 1.38, 24.60 ppm; 6.50 A): 3 out of 4 assignments used, quality = 0.94: HG2 GLU 95 + HG3 LYS 94 OK 78 82 100 95 3.3-7.2 4.8/7533=81...(7) HG2 GLU 98 + HG3 LYS 94 OK 62 79 95 83 5.7-8.5 ~10465=50, 1.8/12257=38...(6) HG2 GLU 37 + HG3 LYS 40 OK 23 72 35 92 6.6-9.9 ~8846=47, 3.9/8963=40...(8) HG2 GLU 99 - HG3 LYS 94 far 13 88 15 - 8.0-11.2 Violated in 0 structures by 0.00 A. Peak 12257 from cnoeabs.peaks (2.50, 1.38, 24.60 ppm; 5.48 A): 3 out of 8 assignments used, quality = 0.87: HG3 GLU 95 + HG3 LYS 94 OK 60 79 85 89 3.8-8.1 7542/7533=62...(6) HG3 GLU 98 + HG3 LYS 94 OK 59 88 100 67 4.6-6.9 10465/1.8=51...(4) HD2 ARG 91 + HG3 LYS 94 OK 21 99 40 53 4.7-9.4 4.8/4220=19...(9) HB3 ASP 36 - HG3 LYS 40 poor 11 75 30 48 5.1-8.9 8833/8963=13, ~8783=8...(12) HB2 ASP 36 - HG3 LYS 40 far 8 75 10 - 6.5-9.2 HB3 ASP 87 - HG3 LYS 94 far 0 100 0 - 8.1-11.4 HG2 MET 74 - HG3 LYS 40 far 0 51 0 - 8.1-12.3 HB2 ASP 87 - HG3 LYS 94 far 0 100 0 - 8.4-11.5 Violated in 0 structures by 0.00 A. Peak 12258 from cnoeabs.peaks (2.10, 2.91, 41.80 ppm; 4.11 A): 11 out of 55 assignments used, quality = 1.00: QE MET 21 + HE3 LYS 94 OK 92 100 100 92 2.6-5.0 12251/3.0=33...(14) QE MET 21 + HE2 LYS 94 OK 91 97 100 93 1.9-4.8 12251/3.0=33...(16) HB3 GLU 35 + HE2 LYS 66 OK 63 80 90 88 2.0-6.9 12058/2.9=17...(27) HB3 GLU 35 + HE3 LYS 66 OK 62 88 80 88 2.0-6.2 12058/2.9=17...(27) HB3 PRO 86 + HE3 LYS 90 OK 48 68 90 79 2.0-6.1 4.9/9906=24, ~12334=15...(20) HB2 GLU 16 + HE3 LYS 20 OK 44 85 70 74 3.0-7.4 12058/3.0=18...(22) HB2 PRO 86 + HE3 LYS 90 OK 34 58 75 78 3.2-7.8 4.9/9906=24...(19) HB2 GLU 69 + HE2 LYS 66 OK 31 72 65 65 3.9-7.4 10802/2.9=17...(15) HB2 GLU 16 + HE2 LYS 20 OK 28 85 45 74 3.6-7.0 12058/3.0=18...(22) HB2 GLU 69 + HE3 LYS 66 OK 26 80 50 66 3.7-6.8 10802/2.9=17, 10529=12...(15) HG2 GLU 69 + HE3 LYS 66 OK 25 80 50 62 2.8-8.7 3.0/10529=11...(16) HG2 GLU 69 - HE2 LYS 66 poor 20 72 45 60 3.6-8.2 12288/2.9=9, 10797/2.9=9...(16) HB3 GLU 69 - HE2 LYS 66 poor 18 72 25 - 3.3-8.8 HB3 GLU 69 - HE3 LYS 66 poor 15 80 35 52 4.4-8.3 ~10802=14, 1.8/10529=13...(11) HB3 GLU 62 - HE2 LYS 66 far 9 88 10 - 4.7-9.3 HG2 GLU 69 - HE2 LYS 68 far 8 84 10 - 4.8-8.7 HG2 GLU 69 - HE3 LYS 68 far 8 84 10 - 4.3-9.7 HG3 GLU 104 - HE3 LYS 94 far 5 100 5 - 4.9-19.5 HG3 GLU 104 - HE3 LYS 68 far 5 100 5 - 5.2-18.7 HB2 GLU 23 - HE2 LYS 20 far 5 97 5 - 5.4-9.4 HB2 GLU 23 - HE3 LYS 20 far 5 97 5 - 5.5-9.4 HB3 GLU 62 - HE3 LYS 66 far 5 95 5 - 5.4-9.6 HB3 LEU 38 - HE2 LYS 66 far 0 69 0 - 5.6-10.8 HB3 GLU 69 - HE3 LYS 68 far 0 84 0 - 5.8-9.1 HG3 GLU 104 - HE2 LYS 68 far 0 100 0 - 5.8-17.2 QE MET 21 - HE3 LYS 90 far 0 68 0 - 5.8-7.8 HB2 LEU 64 - HE3 LYS 68 far 0 98 0 - 5.8-9.4 HB2 GLU 69 - HE3 LYS 68 far 0 84 0 - 5.9-9.0 QE MET 21 - HE2 LYS 20 far 0 100 0 - 5.9-8.8 HB2 LEU 64 - HE2 LYS 68 far 0 98 0 - 5.9-9.4 HB3 GLU 69 - HE2 LYS 68 far 0 84 0 - 5.9-9.6 HB3 LEU 38 - HE3 LYS 66 far 0 76 0 - 6.1-9.8 HB2 GLU 69 - HE2 LYS 68 far 0 84 0 - 6.2-9.5 HB3 PRO 86 - HE3 LYS 20 far 0 100 0 - 6.4-10.9 HB2 GLU 16 - HE3 LYS 90 far 0 52 0 - 6.5-10.5 QE MET 21 - HE3 LYS 20 far 0 100 0 - 6.6-9.0 HG3 GLU 104 - HE2 LYS 94 far 0 97 0 - 6.7-20.0 HB2 PRO 86 - HE3 LYS 20 far 0 93 0 - 6.7-11.1 HB3 GLU 37 - HE3 LYS 66 far 0 81 0 - 7.5-14.1 HB3 GLU 88 - HE3 LYS 90 far 0 54 0 - 7.5-9.8 HG3 GLU 37 - HE3 LYS 66 far 0 96 0 - 7.6-13.2 HB2 LEU 64 - HE3 LYS 66 far 0 95 0 - 7.8-10.7 HB3 PRO 86 - HE2 LYS 20 far 0 100 0 - 7.9-11.5 HB2 PRO 86 - HE2 LYS 20 far 0 93 0 - 8.1-11.5 HB2 LEU 64 - HE2 LYS 66 far 0 88 0 - 8.3-11.2 HG3 GLU 37 - HE2 LYS 66 far 0 90 0 - 8.3-13.4 HB VAL 83 - HE3 LYS 90 far 0 64 0 - 8.4-11.0 HB3 GLU 37 - HE2 LYS 66 far 0 73 0 - 8.4-14.1 HB3 PRO 86 - HE2 LYS 94 far 0 97 0 - 8.8-12.7 HB3 PRO 86 - HE3 LYS 94 far 0 100 0 - 9.2-13.0 HB2 GLU 23 - HE2 LYS 94 far 0 93 0 - 9.4-15.0 HB3 GLU 88 - HE2 LYS 94 far 0 83 0 - 9.7-14.8 HB3 GLU 62 - HE2 LYS 68 far 0 98 0 - 9.8-14.0 HB3 GLU 88 - HE3 LYS 94 far 0 88 0 - 9.9-14.8 HB3 GLU 62 - HE3 LYS 68 far 0 98 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 12259 from cnoeabs.peaks (2.10, 2.92, 41.80 ppm; 4.11 A): 10 out of 62 assignments used, quality = 1.00: QE MET 21 + HE2 LYS 94 OK 94 100 100 94 1.9-4.8 12251/3.0=33...(17) QE MET 21 + HE3 LYS 94 OK 91 98 100 93 2.6-5.0 12251/3.0=33...(14) HB3 PRO 86 + HE3 LYS 90 OK 65 90 90 80 2.0-6.1 4.9/9906=25, ~12334=15...(20) HB3 GLU 35 + HE3 LYS 66 OK 51 73 80 87 2.0-6.2 12058/2.9=17...(27) HB2 PRO 86 + HE3 LYS 90 OK 47 80 75 79 3.2-7.8 4.9/9906=25...(19) HB3 GLU 35 + HE2 LYS 66 OK 47 60 90 87 2.0-6.9 12058/2.9=17...(27) HB2 GLU 16 + HE3 LYS 20 OK 43 83 70 75 3.0-7.4 12058/3.0=18...(23) HB2 GLU 16 + HE2 LYS 20 OK 27 82 45 74 3.6-7.0 12058/3.0=18...(22) HB2 GLU 69 + HE2 LYS 66 OK 22 53 65 65 3.9-7.4 10802/2.9=17...(13) HB2 GLU 69 + HE3 LYS 66 OK 21 65 50 66 3.7-6.8 10802/2.9=17, 10529=12...(15) HG2 GLU 69 - HE3 LYS 66 poor 20 65 50 62 2.8-8.7 3.0/10529=11...(15) HG2 GLU 69 - HE2 LYS 66 poor 14 53 45 60 3.6-8.2 12288/2.9=9, 10797/2.9=9...(14) HB3 GLU 69 - HE2 LYS 66 poor 13 53 25 - 3.3-8.8 HB3 GLU 69 - HE3 LYS 66 poor 12 65 35 52 4.4-8.3 ~10802=14, 1.8/10529=13...(11) HB3 GLU 69 - HE3 LYS 73 poor 10 50 80 25 3.2-7.0 10802/3.0=6, 10529=5...(8) HG2 GLU 69 - HE2 LYS 68 far 8 78 10 - 4.8-8.7 HG2 GLU 69 - HE3 LYS 68 far 8 76 10 - 4.3-9.7 HB3 GLU 62 - HE2 LYS 66 far 7 67 10 - 4.7-9.3 HB2 GLU 69 - HE3 LYS 73 poor 5 50 45 24 4.3-7.1 1.8/10529=5, ~10802=5...(8) HG3 GLU 104 - HE3 LYS 94 far 5 98 5 - 4.9-19.5 HG3 GLU 104 - HE3 LYS 68 far 5 95 5 - 5.2-18.7 HB2 GLU 23 - HE3 LYS 20 far 5 95 5 - 5.5-9.4 HB2 GLU 23 - HE2 LYS 20 far 5 94 5 - 5.4-9.4 HB3 GLU 62 - HE3 LYS 66 far 4 81 5 - 5.4-9.6 HG2 GLU 69 - HE3 LYS 73 far 3 50 5 - 3.7-9.3 HB3 LEU 38 - HE2 LYS 66 far 0 50 0 - 5.6-10.8 HB3 GLU 69 - HE3 LYS 68 far 0 76 0 - 5.8-9.1 HG3 GLU 104 - HE2 LYS 68 far 0 97 0 - 5.8-17.2 QE MET 21 - HE3 LYS 90 far 0 90 0 - 5.8-7.8 HB2 LEU 64 - HE3 LYS 68 far 0 92 0 - 5.8-9.4 HB2 GLU 69 - HE3 LYS 68 far 0 76 0 - 5.9-9.0 QE MET 21 - HE2 LYS 20 far 0 99 0 - 5.9-8.8 HB2 LEU 64 - HE2 LYS 68 far 0 94 0 - 5.9-9.4 HB3 GLU 69 - HE2 LYS 68 far 0 78 0 - 5.9-9.6 HB3 LEU 38 - HE3 LYS 66 far 0 62 0 - 6.1-9.8 HB2 MET 74 - HE3 LYS 73 far 0 35 0 - 6.1-10.5 HB2 GLU 69 - HE2 LYS 68 far 0 78 0 - 6.2-9.5 HB3 PRO 86 - HE3 LYS 20 far 0 99 0 - 6.4-10.9 HB2 GLU 16 - HE3 LYS 90 far 0 72 0 - 6.5-10.5 QE MET 21 - HE3 LYS 20 far 0 99 0 - 6.6-9.0 HG3 GLU 104 - HE2 LYS 94 far 0 100 0 - 6.7-20.0 HB2 PRO 86 - HE3 LYS 20 far 0 91 0 - 6.7-11.1 HB3 GLU 35 - HE3 LYS 73 far 0 57 0 - 7.3-10.6 HB3 GLU 37 - HE3 LYS 66 far 0 66 0 - 7.5-14.1 HB3 GLU 88 - HE3 LYS 90 far 0 75 0 - 7.5-9.8 HG3 GLU 37 - HE3 LYS 66 far 0 82 0 - 7.6-13.2 HB3 LEU 38 - HE3 LYS 73 far 0 48 0 - 7.8-13.5 HB2 LEU 64 - HE3 LYS 66 far 0 81 0 - 7.8-10.7 HB3 PRO 86 - HE2 LYS 20 far 0 98 0 - 7.9-11.5 HB2 PRO 86 - HE2 LYS 20 far 0 90 0 - 8.1-11.5 HB2 LEU 64 - HE2 LYS 66 far 0 67 0 - 8.3-11.2 HG3 GLU 37 - HE2 LYS 66 far 0 68 0 - 8.3-13.4 HB VAL 83 - HE3 LYS 90 far 0 86 0 - 8.4-11.0 HB3 GLU 37 - HE2 LYS 66 far 0 54 0 - 8.4-14.1 HB3 PRO 86 - HE2 LYS 94 far 0 100 0 - 8.8-12.7 HB3 PRO 86 - HE3 LYS 94 far 0 98 0 - 9.2-13.0 HB2 GLU 23 - HE2 LYS 94 far 0 97 0 - 9.4-15.0 HB2 GLU 75 - HE3 LYS 73 far 0 39 0 - 9.6-11.9 HB3 GLU 88 - HE2 LYS 94 far 0 88 0 - 9.7-14.8 HB3 GLU 62 - HE2 LYS 68 far 0 94 0 - 9.8-14.0 HB3 GLU 88 - HE3 LYS 94 far 0 84 0 - 9.9-14.8 HB3 GLU 62 - HE3 LYS 68 far 0 92 0 - 9.9-13.4 Violated in 0 structures by 0.00 A. Peak 12266 from cnoeabs.peaks (8.06, 2.04, 29.40 ppm; 4.09 A): 4 out of 12 assignments used, quality = 0.84: H GLY 101 + HB2 GLU 99 OK 38 63 100 60 2.7-4.9 10099/3.0=24...(9) H SER 102 + HB3 GLU 99 OK 36 100 95 38 2.9-7.3 4.6/10103=16, 751/3.0=9...(6) H GLY 101 + HB3 GLU 99 OK 36 63 95 61 2.6-5.7 10099/3.0=24...(9) H SER 102 + HB2 GLU 99 OK 36 100 95 38 2.5-6.6 4.6/10103=16, 751/3.0=9...(5) H ARG 46 - HB3 GLU 43 poor 18 35 100 52 5.0-5.5 6716/6707=23...(7) H ARG 46 - HB3 GLU 48 far 6 40 15 - 5.0-7.8 H GLY 101 - HB2 GLU 98 far 0 61 0 - 6.2-8.6 H LYS 39 - HB3 GLU 43 far 0 52 0 - 6.7-8.4 H SER 102 - HB2 GLU 98 far 0 99 0 - 6.7-10.3 H GLY 101 - HB3 GLU 98 far 0 61 0 - 7.2-9.4 H SER 102 - HB3 GLU 98 far 0 99 0 - 8.0-10.6 H GLU 75 - HB3 GLU 43 far 0 59 0 - 9.5-11.1 Violated in 1 structures by 0.01 A. Peak 12267 from cnoeabs.peaks (8.06, 2.04, 29.40 ppm; 4.09 A): 4 out of 12 assignments used, quality = 0.84: H GLY 101 + HB2 GLU 99 OK 38 63 100 60 2.7-4.9 10099/3.0=24...(9) H SER 102 + HB3 GLU 99 OK 36 100 95 38 2.9-7.3 4.6/10103=16, 751/3.0=9...(6) H GLY 101 + HB3 GLU 99 OK 36 63 95 61 2.6-5.7 10099/3.0=24...(9) H SER 102 + HB2 GLU 99 OK 36 100 95 38 2.5-6.6 4.6/10103=16, 751/3.0=9...(5) H ARG 46 - HB3 GLU 43 poor 18 35 100 52 5.0-5.5 6716/6707=23...(7) H ARG 46 - HB3 GLU 48 far 6 40 15 - 5.0-7.8 H GLY 101 - HB2 GLU 98 far 0 61 0 - 6.2-8.6 H LYS 39 - HB3 GLU 43 far 0 52 0 - 6.7-8.4 H SER 102 - HB2 GLU 98 far 0 99 0 - 6.7-10.3 H GLY 101 - HB3 GLU 98 far 0 61 0 - 7.2-9.4 H SER 102 - HB3 GLU 98 far 0 99 0 - 8.0-10.6 H GLU 75 - HB3 GLU 43 far 0 59 0 - 9.5-11.1 Violated in 1 structures by 0.01 A. Peak 12268 from cnoeabs.peaks (-0.04, -0.03, 0.00 ppm; diagonal): 0 out of 0 assignments used, quality = 0.00: Peak 12271 from cnoeabs.peaks (1.71, 5.34, 59.36 ppm; 3.52 A): 2 out of 7 assignments used, quality = 1.00: HB2 LEU 2 + HA ILE 52 OK 99 100 100 99 1.8-4.9 8046=48, 1.8/8047=36...(35) HB ILE 52 + HA ILE 52 OK 68 68 100 100 2.2-2.7 3.0=100 HB3 LYS 53 - HA ILE 52 far 5 92 5 - 4.1-5.7 HD2 ARG 81 - HA THR 80 far 0 58 0 - 5.2-6.3 HB2 GLU 28 - HA ILE 52 far 0 63 0 - 8.9-10.9 HG LEU 70 - HA THR 80 far 0 68 0 - 9.0-10.5 HB3 LYS 53 - HA THR 80 far 0 58 0 - 9.4-12.3 Violated in 0 structures by 0.00 A. Peak 12272 from cnoeabs.peaks (0.88, 5.34, 59.36 ppm; 4.99 A): 3 out of 9 assignments used, quality = 1.00: QD1 LEU 2 + HA ILE 52 OK 100 100 100 100 1.7-3.5 8049=86, 12039/3.8=80...(35) QG2 ILE 76 + HA ILE 52 OK 81 100 95 85 5.6-6.5 10640/4.1=34...(14) QD2 LEU 64 + HA THR 80 OK 52 57 90 100 6.1-6.6 2.1/10756=79...(17) QD1 LEU 38 - HA THR 80 poor 19 55 35 - 5.8-8.0 QD1 LEU 103 - HA THR 80 lone 3 60 40 11 5.6-15.6 74/10356=3, 74/10356=3...(5) HG13 ILE 8 - HA THR 80 far 0 69 0 - 6.9-9.6 QG1 VAL 32 - HA THR 80 far 0 54 0 - 8.5-9.6 HG13 ILE 7 - HA THR 80 far 0 67 0 - 8.7-11.2 QG2 ILE 76 - HA THR 80 far 0 70 0 - 9.0-9.9 Violated in 0 structures by 0.00 A. Peak 12273 from cnoeabs.peaks (0.81, 5.34, 59.36 ppm; 3.75 A): 3 out of 14 assignments used, quality = 1.00: QD2 LEU 2 + HA ILE 52 OK 100 100 100 100 1.7-4.4 3.1/8046=43...(37) QG2 ILE 52 + HA ILE 52 OK 70 70 100 100 2.3-3.2 3.2=100 QD2 LEU 57 + HA THR 80 OK 31 61 85 60 3.8-5.3 9736/7311=21...(10) QD1 LEU 57 - HA THR 80 poor 16 63 25 - 3.9-6.0 QD2 LEU 103 - HA THR 80 far 3 64 5 - 5.2-16.0 QD2 LEU 38 - HA THR 80 far 0 67 0 - 5.6-8.3 QG2 VAL 32 - HA THR 80 far 0 60 0 - 7.0-8.1 QG2 ILE 8 - HA THR 80 far 0 52 0 - 7.8-8.7 QD1 ILE 76 - HA ILE 52 far 0 98 0 - 8.0-9.1 QD1 LEU 70 - HA THR 80 far 0 69 0 - 8.3-10.3 QD2 LEU 70 - HA THR 80 far 0 69 0 - 8.7-10.5 QG2 ILE 7 - HA THR 80 far 0 64 0 - 8.9-9.6 QD1 ILE 76 - HA THR 80 far 0 65 0 - 9.5-10.4 QD2 LEU 103 - HA ILE 52 far 0 97 0 - 9.7-14.6 Violated in 0 structures by 0.00 A. Peak 12274 from cnoeabs.peaks (0.77, 1.70, 43.59 ppm; 3.61 A): 2 out of 7 assignments used, quality = 0.94: QG2 ILE 52 + HB2 LEU 2 OK 84 100 85 100 3.6-5.9 3.2/8051=40...(50) QD2 LEU 2 + HB2 LEU 2 OK 63 63 100 100 2.3-3.2 3.1=100 QD1 LEU 27 - HB2 LEU 2 far 0 100 0 - 7.1-9.2 QG1 VAL 54 - HB2 LEU 2 far 0 99 0 - 7.2-9.9 QG1 VAL 78 - HB2 LEU 2 far 0 84 0 - 7.6-11.4 QD1 ILE 76 - HB2 LEU 2 far 0 79 0 - 8.4-12.0 QD2 LEU 42 - HB2 LEU 2 far 0 100 0 - 9.2-12.7 Violated in 0 structures by 0.00 A. Peak 12275 from cnoeabs.peaks (0.70, 1.70, 43.59 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.50: QD1 ILE 52 + HB2 LEU 2 OK 50 100 50 100 3.1-6.8 2.1/8051=76, 4.1/8046=52...(40) QD2 LEU 27 - HB2 LEU 2 poor 15 73 20 - 4.6-7.0 QD2 LEU 6 - HB2 LEU 2 far 0 99 0 - 9.2-12.5 QD1 ILE 56 - HB2 LEU 2 far 0 99 0 - 9.6-13.3 QG2 VAL 78 - HB2 LEU 2 far 0 87 0 - 9.8-13.3 Violated in 14 structures by 1.10 A. Peak 12277 from cnoeabs.peaks (2.02, 1.70, 43.59 ppm; 5.80 A): 4 out of 5 assignments used, quality = 0.99: HB3 MET 1 + HB2 LEU 2 OK 93 98 95 100 5.0-7.4 3.0/10354=68, ~10355=55...(19) QE MET 1 + HB2 LEU 2 OK 58 59 100 98 4.8-7.0 5.3/10354=49...(14) HB2 GLN 50 + HB2 LEU 2 OK 55 99 55 100 6.3-11.9 10629/3.1=82, ~12293=63...(15) HB3 GLU 48 + HB2 LEU 2 OK 48 73 65 100 5.1-8.9 ~9038=63, 9177/12275=58...(21) HB3 GLU 44 - HB2 LEU 2 far 0 96 0 - 9.7-13.1 Violated in 0 structures by 0.00 A. Peak 12278 from cnoeabs.peaks (8.47, 3.81, 59.95 ppm; 5.20 A): 3 out of 7 assignments used, quality = 1.00: H ALA 67 + HA LYS 68 OK 100 100 100 100 5.1-5.3 7103/2.9=97, 7120/3.6=73...(16) H LEU 29 + HA ARG 19 OK 84 87 100 97 3.7-4.6 4.8/8688=42, 4.8/8685=39...(11) H ARG 79 + HA LYS 68 OK 39 85 80 58 5.4-7.3 4.4/9687=22, 4.3/8509=21...(4) H ILE 7 - HA ARG 19 far 5 95 5 - 6.7-8.2 H THR 31 - HA ARG 19 far 0 89 0 - 7.2-8.3 H VAL 54 - HA LYS 68 far 0 96 0 - 8.9-11.2 H VAL 32 - HA ARG 19 far 0 99 0 - 9.4-10.6 Violated in 0 structures by 0.00 A. Peak 12279 from cnoeabs.peaks (0.47, 1.33, 44.08 ppm; 5.66 A): 2 out of 3 assignments used, quality = 0.97: QD1 LEU 3 + HB3 LEU 27 OK 96 96 100 100 4.1-5.7 8086/3.0=70, ~10136=68...(19) QD2 LEU 55 + HB3 LEU 27 OK 30 52 100 57 5.7-7.1 8195/10194=19, ~10137=16...(8) QD1 LEU 55 - HB3 LEU 27 far 0 67 0 - 7.4-8.6 Violated in 0 structures by 0.00 A. Peak 12280 from cnoeabs.peaks (2.96, 2.13, 35.87 ppm; 4.53 A): 0 out of 8 assignments used, quality = 0.00: HE3 LYS 73 - HG2 GLU 69 far 15 99 15 - 3.7-9.3 HB3 PHE 45 - HG2 GLU 44 far 9 93 10 - 4.8-8.1 HE2 LYS 73 - HG2 GLU 69 far 5 100 5 - 5.2-9.3 HB2 PHE 45 - HG2 GLU 44 far 4 76 5 - 4.8-8.3 HE2 LYS 47 - HG2 GLU 44 far 0 88 0 - 6.0-8.1 HE2 LYS 94 - HG2 GLU 104 far 0 47 0 - 6.4-20.1 HE3 LYS 47 - HG2 GLU 44 far 0 88 0 - 6.5-9.5 HG2 MET 21 - HG2 GLU 104 far 0 75 0 - 9.2-21.3 Violated in 18 structures by 0.75 A. Peak 12281 from cnoeabs.peaks (2.94, 2.34, 35.87 ppm; 4.16 A): 0 out of 19 assignments used, quality = 0.00: HB3 PHE 45 - HG2 GLU 48 poor 19 64 35 83 4.2-7.0 3.0/10182=27, ~10620=24...(17) HE3 LYS 66 - HG3 GLU 69 poor 17 69 25 - 4.1-8.5 HE2 LYS 47 - HG3 GLU 44 poor 16 50 55 58 4.7-8.1 8977/1996=16...(11) HE2 LYS 47 - HG2 GLU 48 poor 13 51 65 38 3.6-8.9 6.6/9029=15...(6) HE2 LYS 68 - HG3 GLU 69 far 13 85 15 - 3.4-7.5 HE3 LYS 68 - HG3 GLU 69 poor 12 82 40 37 3.0-8.7 3.6/10185=13...(6) HE3 LYS 20 - HG2 GLU 16 poor 10 84 25 50 4.5-9.4 ~12146=9, ~12145=9...(13) HE3 LYS 47 - HG2 GLU 48 poor 7 51 40 36 4.5-9.5 6.6/9029=15...(6) HB3 PHE 45 - HG3 GLU 44 far 6 63 10 - 4.2-8.3 HE3 LYS 47 - HG3 GLU 44 far 5 50 10 - 5.2-9.1 HE3 LYS 73 - HG3 GLU 69 far 5 98 5 - 4.4-9.6 HE2 LYS 73 - HG3 GLU 69 far 5 95 5 - 5.7-9.5 HE2 LYS 20 - HG2 GLU 16 far 4 83 5 - 3.8-9.7 HE3 LYS 12 - HG2 GLU 16 lone 4 72 40 12 4.3-11.6 4.0/10186=4, 7.3/10807=3...(4) HB2 ASN 51 - HG2 GLU 48 far 0 91 0 - 7.2-12.4 HE3 LYS 13 - HG2 GLU 16 far 0 83 0 - 7.9-10.1 HG2 MET 21 - HG2 GLU 16 far 0 97 0 - 8.3-12.3 HE3 LYS 90 - HG2 GLU 16 far 0 97 0 - 8.4-12.5 HE2 LYS 13 - HG2 GLU 16 far 0 80 0 - 8.7-10.4 Violated in 0 structures by 0.00 A. Peak 12282 from cnoeabs.peaks (7.43, 2.22, 29.86 ppm; 5.08 A): 0 out of 3 assignments used, quality = 0.00: HE3 TRP 92 - HB2 GLU 95 far 6 60 10 - 6.4-9.6 H ARG 91 - HB2 GLU 95 far 0 34 0 - 6.7-9.0 H ALA 89 - HB2 GLU 95 far 0 58 0 - 9.1-11.4 Violated in 20 structures by 1.46 A. Peak 12283 from cnoeabs.peaks (0.87, 2.38, 33.69 ppm; 5.42 A): 1 out of 2 assignments used, quality = 0.59: QD1 LEU 2 + HG2 GLN 50 OK 59 74 80 100 3.7-7.3 10629/2.9=77...(18) QG2 ILE 76 - HG2 GLN 50 far 4 74 5 - 6.8-9.8 Violated in 9 structures by 0.51 A. Peak 12284 from cnoeabs.peaks (4.42, 2.67, 39.58 ppm; 5.40 A): 1 out of 4 assignments used, quality = 0.94: HA GLN 50 + HB3 ASN 51 OK 94 95 100 100 4.3-5.9 3.6/6836=91, 9129/3.5=62...(12) HA GLU 48 - HB3 ASN 51 far 0 98 0 - 8.5-11.2 HA SER 102 - HB3 ASN 51 far 0 68 0 - 8.7-15.4 HA ILE 76 - HB3 ASN 51 far 0 98 0 - 9.2-11.6 Violated in 5 structures by 0.11 A. Peak 12285 from cnoeabs.peaks (6.91, 2.83, 41.80 ppm; 5.43 A): 0 out of 2 assignments used, quality = 0.00: HD21 ASN 60 - HE3 LYS 82 far 4 28 15 - 6.7-9.2 HD1 TRP 92 - HE2 LYS 90 far 0 51 0 - 8.6-10.6 Violated in 20 structures by 2.11 A. Peak 12288 from cnoeabs.peaks (2.10, 1.60, 27.82 ppm; 4.88 A): 4 out of 16 assignments used, quality = 0.97: HB3 GLU 35 + HD2 LYS 66 OK 75 91 85 97 2.7-7.1 2.9/12289=36...(33) HB3 GLU 62 + HD2 LYS 66 OK 58 98 80 74 3.6-7.3 2.9/12300=23...(11) HG2 GLU 69 + HD2 LYS 66 OK 43 85 70 72 4.8-8.4 ~10802=18, 10797/1.8=15...(15) HB2 GLU 69 + HD2 LYS 66 OK 43 85 65 77 5.5-7.2 10802/1.8=24...(13) HB2 GLU 16 - HG2 ARG 19 far 10 67 15 - 4.1-8.2 HB3 GLU 69 - HD2 LYS 66 far 4 85 5 - 5.7-8.5 HB2 GLU 23 - HG2 ARG 19 far 0 80 0 - 6.4-8.0 HG2 GLU 28 - HG2 ARG 19 far 0 47 0 - 6.9-11.9 HB3 LEU 38 - HD2 LYS 66 far 0 79 0 - 7.3-10.3 HG3 GLU 28 - HG2 ARG 19 far 0 47 0 - 7.3-12.4 HB2 LEU 64 - HD2 LYS 66 far 0 99 0 - 7.8-10.2 QE MET 21 - HG2 ARG 19 far 0 87 0 - 7.9-9.1 HB3 GLU 37 - HD2 LYS 66 far 0 87 0 - 9.4-13.5 HG3 GLU 37 - HD2 LYS 66 far 0 99 0 - 9.4-12.5 HB3 PRO 86 - HG2 ARG 19 far 0 87 0 - 9.7-12.6 HB2 PRO 86 - HG2 ARG 19 far 0 77 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 12289 from cnoeabs.peaks (2.19, 1.60, 27.82 ppm; 4.89 A): 2 out of 4 assignments used, quality = 0.78: HG3 GLU 35 + HD2 LYS 66 OK 57 100 60 96 3.7-8.9 2.9/12288=23...(33) HG2 GLU 35 + HD2 LYS 66 OK 48 100 50 95 4.9-9.0 2.9/12288=23...(32) HB3 GLU 16 - HG2 ARG 19 far 9 62 15 - 3.8-8.3 HB2 GLU 63 - HD2 LYS 66 far 5 100 5 - 5.8-8.3 Violated in 14 structures by 0.66 A. Peak 12290 from cnoeabs.peaks (2.27, 1.60, 27.82 ppm; 5.38 A): 3 out of 7 assignments used, quality = 1.00: HG3 GLU 62 + HD2 LYS 66 OK 93 100 100 93 3.2-4.8 8841/1.8=32, 12300=32...(16) HG2 GLU 62 + HD2 LYS 66 OK 92 100 100 92 4.8-6.1 1.8/12300=30, 12300=30...(15) HG2 GLU 23 + HG2 ARG 19 OK 71 86 100 82 5.0-6.8 1.8/12291=65...(7) HG3 GLU 16 - HG2 ARG 19 far 8 56 15 - 5.8-8.9 HG2 GLU 63 - HD2 LYS 66 far 8 77 10 - 5.9-8.3 HG2 GLU 17 - HG2 ARG 19 far 4 74 5 - 6.4-11.1 HG2 GLU 37 - HD2 LYS 66 far 0 100 0 - 8.7-14.1 Violated in 0 structures by 0.00 A. Peak 12291 from cnoeabs.peaks (2.49, 1.58, 27.71 ppm; 5.05 A): 1 out of 6 assignments used, quality = 0.93: HG3 GLU 23 + HG2 ARG 19 OK 93 100 100 93 4.5-5.3 10464=70, 8513/809=30...(9) HG3 GLU 63 - HD2 LYS 66 far 0 62 0 - 7.1-9.4 HB3 ASP 36 - HD2 LYS 66 far 0 75 0 - 8.4-12.4 HB2 ASP 61 - HD2 LYS 66 far 0 71 0 - 8.4-11.6 HB2 ASP 36 - HD2 LYS 66 far 0 76 0 - 9.0-11.9 HB3 TYR 4 - HG2 ARG 19 far 0 81 0 - 9.2-13.0 Violated in 2 structures by 0.02 A. Peak 12292 from cnoeabs.peaks (4.38, 0.78, 26.58 ppm; 5.13 A): 3 out of 4 assignments used, quality = 0.95: HA ASN 26 + QD1 LEU 27 OK 76 76 100 99 5.6-6.0 6434/4.7=65, 8626/3.1=38...(17) HA ALA 25 + QD1 LEU 27 OK 63 63 100 99 4.4-5.8 ~8622=47, 2.1/1223=42...(19) HA MET 21 + QD1 LEU 27 OK 47 67 95 74 5.6-7.1 4.4/1222=30, 3.6/8567=27...(10) HA SER 102 - QD1 LEU 27 far 0 93 0 - 7.4-12.3 Violated in 0 structures by 0.00 A. Peak 12293 from cnoeabs.peaks (0.86, 2.17, 28.76 ppm; 5.01 A): 1 out of 2 assignments used, quality = 0.59: QD1 LEU 2 + HB3 GLN 50 OK 59 74 80 100 2.8-7.7 10629/1.8=74...(17) QG2 ILE 76 - HB3 GLN 50 far 4 73 5 - 6.4-9.0 Violated in 12 structures by 0.72 A. Peak 12295 from cnoeabs.peaks (8.26, 4.10, 58.26 ppm; 4.70 A): 3 out of 6 assignments used, quality = 1.00: H GLU 23 + HA LYS 24 OK 96 98 100 97 5.0-5.3 6369/3.0=82, ~6377=43...(8) H LEU 27 + HA LYS 24 OK 77 88 100 88 5.3-6.0 10489/3.6=55...(6) H PHE 45 + HA ARG 46 OK 62 64 100 97 4.8-5.1 6741/3.0=87, 6759/3.6=54...(10) H ALA 71 - HA LYS 66 far 3 67 5 - 6.2-7.4 H LYS 94 - HA LYS 24 far 0 100 0 - 9.9-11.2 H ALA 71 - HA ARG 46 far 0 64 0 - 10.0-12.1 Violated in 0 structures by 0.00 A. Peak 12297 from cnoeabs.peaks (0.81, 4.16, 57.75 ppm; 4.82 A): 1 out of 7 assignments used, quality = 0.64: QD2 LEU 70 + HA LYS 73 OK 64 95 70 97 6.0-8.1 9577/3.0=37, ~9576=32...(21) QD1 ILE 76 - HA LYS 47 poor 9 82 35 31 6.1-7.5 9035/3.6=18, 9630/6226=9...(4) QG2 ILE 52 - HA LYS 47 far 8 55 15 - 5.8-7.5 QD1 LEU 70 - HA LYS 73 far 0 94 0 - 6.6-8.4 QD1 ILE 76 - HA LYS 73 far 0 92 0 - 7.1-7.5 QD2 LEU 2 - HA LYS 47 far 0 85 0 - 7.6-10.3 QD2 LEU 38 - HA LYS 73 far 0 91 0 - 9.9-12.6 Violated in 20 structures by 1.54 A. Peak 12298 from cnoeabs.peaks (1.41, 2.53, 33.69 ppm; 4.87 A): 1 out of 4 assignments used, quality = 0.74: QB ALA 71 + HG3 GLN 72 OK 74 74 100 100 3.1-4.3 10842/3.0=68...(18) HB2 LEU 70 - HG3 GLN 72 poor 14 40 50 72 5.5-7.1 9568/1.8=24, ~9561=20...(9) HG13 ILE 76 - HG3 GLN 72 far 0 49 0 - 8.7-10.9 HG3 LYS 39 - HG3 GLN 72 far 0 42 0 - 8.9-12.6 Violated in 0 structures by 0.00 A. Peak 12299 from cnoeabs.peaks (3.02, 1.70, 26.58 ppm; 4.77 A): 0 out of 0 assignments used, quality = 0.00: Peak 12300 from cnoeabs.peaks (1.60, 2.26, 36.63 ppm; 4.56 A): 4 out of 20 assignments used, quality = 0.98: HD2 LYS 66 + HG3 GLU 62 OK 81 100 100 81 3.2-4.8 12290=22, 12290/1.8=21...(16) HD2 LYS 66 + HG2 GLU 62 OK 77 100 95 81 4.8-6.1 12290=22, 12290/1.8=21...(15) HG2 ARG 19 + HG2 GLU 23 OK 34 50 85 79 5.0-6.8 12291/1.8=64, 12290=17...(6) HD3 LYS 94 + HG2 GLU 95 OK 28 93 55 56 5.0-8.3 7535/7541=28, ~12257=15...(5) HB3 LEU 29 - HG2 GLU 23 poor 19 55 90 38 3.1-8.2 10464/1.8=20...(5) HD2 LYS 94 - HG2 GLU 95 poor 18 74 45 53 5.4-8.5 7534/7541=24, ~12257=15...(5) HB3 GLU 28 - HG2 GLU 23 poor 13 29 45 - 4.7-10.0 HB2 LEU 103 - HG2 GLU 95 far 13 87 15 - 5.3-15.6 HG2 LYS 24 - HG2 GLU 23 far 3 51 5 - 5.6-9.2 HD3 LYS 82 - HG2 GLU 62 far 0 71 0 - 6.1-9.3 HG LEU 27 - HG2 GLU 23 far 0 55 0 - 6.1-8.6 HG LEU 103 - HG2 GLU 95 far 0 84 0 - 6.1-16.4 HD3 LYS 82 - HG3 GLU 62 far 0 71 0 - 7.5-10.1 HB2 ARG 30 - HG2 GLU 37 far 0 72 0 - 8.4-10.2 HG3 LYS 90 - HG2 GLU 95 far 0 86 0 - 8.7-13.1 HD2 LYS 66 - HG2 GLU 37 far 0 72 0 - 8.7-14.1 HB2 ARG 79 - HG2 GLU 95 far 0 93 0 - 9.0-13.7 HB2 ARG 30 - HG2 GLU 23 far 0 55 0 - 9.1-13.5 HG3 LYS 90 - HG2 GLU 23 far 0 50 0 - 9.5-13.5 HD3 LYS 94 - HG2 GLU 23 far 0 55 0 - 9.8-13.7 Violated in 0 structures by 0.00 A. Peak 12301 from cnoeabs.peaks (3.18, 4.41, 56.92 ppm; 3.88 A): 1 out of 6 assignments used, quality = 1.00: HB2 HIS 106 + HA HIS 106 OK 100 100 100 100 2.4-3.0 3.0=100 HB3 TRP 92 - HA HIS 106 far 0 96 0 - 8.0-18.7 HB2 ASP 77 - HA HIS 106 far 0 81 0 - 8.8-22.3 HD3 ARG 19 - HA MET 21 far 0 98 0 - 9.2-10.5 HD2 ARG 19 - HA MET 21 far 0 98 0 - 9.5-10.9 HB3 TRP 92 - HA MET 21 far 0 94 0 - 10.0-11.7 Violated in 0 structures by 0.00 A. Peak 12302 from cnoeabs.peaks (5.09, 1.43, 25.00 ppm; 5.37 A): 0 out of 1 assignment used, quality = 0.00: HA SER 59 - HG2 LYS 13 far 0 79 0 - 9.5-11.0 Violated in 20 structures by 4.99 A. Peak 12305 from cnoeabs.peaks (4.16, 0.81, 23.49 ppm; 5.51 A): 2 out of 7 assignments used, quality = 1.00: HA MET 1 + QD2 LEU 2 OK 100 100 100 100 2.7-5.4 8008/2.1=80, 8/4.7=77...(20) HA GLU 104 + QD2 LEU 103 OK 28 28 100 97 3.5-6.2 ~7659=48, 3.0/7661=48...(9) HA GLU 98 - QD2 LEU 103 far 2 45 5 - 6.5-13.5 HA GLN 72 - QD2 LEU 103 far 0 55 0 - 7.1-18.0 HA LYS 47 - QD2 LEU 2 far 0 91 0 - 7.6-10.3 HA GLU 98 - QD2 LEU 2 far 0 88 0 - 9.6-12.9 HA GLU 23 - QD2 LEU 2 far 0 94 0 - 9.8-12.7 Violated in 0 structures by 0.00 A. Peak 12306 from cnoeabs.peaks (4.09, 2.98, 41.89 ppm; 3.82 A): 3 out of 14 assignments used, quality = 0.92: HA LYS 24 + HE2 LYS 24 OK 72 77 95 99 3.9-5.6 1096/3.7=50, 1053/3.7=30...(62) HA LYS 24 + HE3 LYS 24 OK 61 77 80 99 4.2-5.8 1096/3.7=50, 1053/3.7=30...(62) HA PRO 86 + HE2 LYS 13 OK 24 76 55 56 5.0-7.6 1118/2.9=12, 3810/2.9=12...(15) HA PRO 86 - HE3 LYS 13 far 7 71 10 - 5.1-9.1 HA ARG 46 - HE3 LYS 47 far 0 91 0 - 6.0-9.3 HA LYS 20 - HE2 LYS 24 far 0 42 0 - 6.7-9.8 HA ARG 46 - HE2 LYS 47 far 0 91 0 - 6.9-8.7 HA LYS 20 - HE3 LYS 24 far 0 42 0 - 7.4-9.5 HA GLU 17 - HE3 LYS 13 far 0 38 0 - 8.0-10.7 HA GLU 17 - HE2 LYS 13 far 0 41 0 - 8.3-11.0 HB2 SER 49 - HE3 LYS 47 far 0 68 0 - 8.4-12.3 HA GLU 17 - HE2 LYS 24 far 0 44 0 - 8.6-13.0 HA GLU 17 - HE3 LYS 24 far 0 44 0 - 9.1-12.7 HB2 SER 49 - HE2 LYS 47 far 0 68 0 - 9.2-12.0 Violated in 18 structures by 0.29 A. Peak 12307 from cnoeabs.peaks (8.04, 0.46, 24.71 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.98: H GLY 101 + QD1 LEU 3 OK 91 91 100 100 4.1-6.2 3.6/8094=91...(13) H SER 102 + QD1 LEU 3 OK 78 96 95 85 5.6-8.2 4.6/10104=54...(7) Violated in 0 structures by 0.00 A. Peak 12308 from cnoeabs.peaks (1.61, 2.20, 36.41 ppm; 4.29 A): 6 out of 19 assignments used, quality = 0.95: HB2 LYS 40 + HG2 GLU 43 OK 48 54 95 93 4.2-6.7 ~1956=19, 4.1/1983=19...(26) HD3 LYS 39 + HG3 GLU 35 OK 45 70 80 81 2.8-7.3 3.6/10576=15...(21) HD2 LYS 66 + HG3 GLU 35 OK 42 100 45 94 3.7-8.9 12289=37, 12289/1.8=28...(30) HD3 LYS 39 + HG2 GLU 35 OK 37 70 65 82 3.4-6.5 3.6/10576=15...(22) HD3 LYS 39 + HG2 GLU 43 OK 34 64 60 89 4.3-6.6 ~10574=34, ~10604=27...(15) HD2 LYS 66 + HG2 GLU 35 OK 23 100 25 93 4.9-9.0 12289/1.8=34, 12289=31...(29) HB ILE 76 - HG2 GLU 43 far 0 58 0 - 6.1-10.1 HG3 LYS 73 - HG3 GLU 75 far 0 51 0 - 6.3-8.2 HG3 LYS 47 - HG2 GLU 43 far 0 91 0 - 6.3-9.4 HG3 LYS 73 - HG2 GLU 75 far 0 47 0 - 7.1-8.6 HB2 LYS 40 - HG3 GLU 35 far 0 59 0 - 7.1-10.0 HB2 LYS 40 - HG2 GLU 35 far 0 59 0 - 7.2-8.9 HB ILE 76 - HG3 GLU 75 far 0 27 0 - 7.2-7.6 HB ILE 76 - HG2 GLU 75 far 0 25 0 - 7.3-8.2 HG3 LYS 73 - HG3 GLU 35 far 0 99 0 - 7.3-10.7 HG3 LYS 73 - HG2 GLU 35 far 0 99 0 - 7.8-12.2 HG3 LYS 73 - HG2 GLU 43 far 0 95 0 - 8.1-12.2 HG2 LYS 68 - HG3 GLU 35 far 0 68 0 - 8.9-14.7 HD3 LYS 39 - HG3 GLU 75 far 0 30 0 - 9.7-13.2 Violated in 0 structures by 0.00 A. Peak 12309 from cnoeabs.peaks (1.68, 2.20, 36.41 ppm; 4.08 A): 9 out of 35 assignments used, quality = 1.00: HB3 LYS 40 + HG2 GLU 43 OK 75 97 80 97 4.9-7.2 10610/6695=41...(30) HG LEU 70 + HG3 GLU 35 OK 67 96 80 87 2.9-5.8 3835=21, 2.1/9548=19...(20) HD2 LYS 39 + HG2 GLU 35 OK 59 81 95 78 2.7-5.8 3.6/10576=14...(20) HB2 LYS 40 + HG2 GLU 43 OK 53 60 95 93 4.2-6.7 ~1956=17, 4.1/1983=17...(28) HD2 LYS 39 + HG3 GLU 35 OK 53 81 85 77 2.0-7.1 3.6/10576=14...(19) HD3 LYS 66 + HG3 GLU 35 OK 34 93 40 90 2.5-7.7 1.8/12289=30, ~12289=19...(30) HG LEU 70 + HG2 GLU 35 OK 33 96 40 86 2.9-6.7 3835/1.8=20, 2.1/9548=19...(20) HB3 LEU 70 + HG3 GLU 35 OK 30 71 55 77 3.5-7.0 3.0/3835=16, 3.1/9548=16...(18) HD3 LYS 66 + HG2 GLU 35 OK 25 93 30 89 4.1-8.1 1.8/12289=25, ~12289=23...(29) HD2 LYS 39 - HG2 GLU 43 poor 19 74 25 - 4.2-7.7 HB3 LEU 70 - HG2 GLU 35 poor 16 71 30 74 4.4-7.7 3.1/9548=16...(18) HB3 LEU 70 - HG2 GLU 43 far 0 65 0 - 6.0-8.1 HD2 LYS 73 - HG3 GLU 35 far 0 96 0 - 6.0-9.0 HB ILE 76 - HG2 GLU 43 far 0 56 0 - 6.1-10.1 HD3 LYS 47 - HG2 GLU 43 far 0 97 0 - 6.2-9.9 HD2 LYS 47 - HG2 GLU 43 far 0 97 0 - 6.3-10.3 HD2 LYS 73 - HG2 GLU 35 far 0 96 0 - 6.4-10.6 HD3 LYS 73 - HG3 GLU 35 far 0 95 0 - 6.8-9.4 HB2 LYS 40 - HG3 GLU 35 far 0 65 0 - 7.1-10.0 HB2 LYS 40 - HG2 GLU 35 far 0 65 0 - 7.2-8.9 HB ILE 76 - HG3 GLU 75 far 0 26 0 - 7.2-7.6 HB ILE 76 - HG2 GLU 75 far 0 24 0 - 7.3-8.2 HD3 LYS 73 - HG2 GLU 35 far 0 95 0 - 7.5-10.6 HD3 LYS 73 - HG3 GLU 75 far 0 46 0 - 7.5-9.8 HD2 LYS 73 - HG2 GLU 75 far 0 44 0 - 7.8-10.5 HB3 LYS 40 - HG2 GLU 35 far 0 100 0 - 7.9-9.5 HB3 LYS 40 - HG3 GLU 35 far 0 100 0 - 8.1-10.3 HD2 LYS 73 - HG3 GLU 75 far 0 48 0 - 8.1-9.1 HD2 LYS 73 - HG2 GLU 43 far 0 91 0 - 8.4-11.5 HD3 LYS 73 - HG2 GLU 43 far 0 89 0 - 8.5-11.7 HD3 LYS 73 - HG2 GLU 75 far 0 43 0 - 8.6-10.2 HG LEU 70 - HG2 GLU 43 far 0 90 0 - 8.8-10.8 HB3 LEU 70 - HG3 GLU 75 far 0 31 0 - 9.2-10.0 HB3 LEU 70 - HG2 GLU 75 far 0 29 0 - 9.4-11.3 HD2 LYS 68 - HG3 GLU 35 far 0 77 0 - 9.8-14.7 Violated in 0 structures by 0.00 A. Peak 12310 from cnoeabs.peaks (1.46, 3.71, 58.70 ppm; 3.82 A): 4 out of 16 assignments used, quality = 0.98: HD3 LYS 40 + HA GLU 37 OK 93 100 95 99 3.4-5.9 3.5/1794=53, 3.5/1782=52...(19) HG LEU 38 + HA GLU 37 OK 31 100 35 89 5.1-7.8 3.7/10543=30...(18) HG2 LYS 13 + HA LEU 14 OK 30 31 100 97 4.3-4.5 6191/3.0=35, ~6192=20...(48) HD2 LYS 40 + HA GLU 37 OK 25 100 25 98 3.6-5.9 3.5/1794=53, 3.5/1782=52...(19) HG3 LYS 39 - HA GLU 37 far 14 95 15 - 5.2-7.2 HG3 LYS 13 - HA LEU 14 far 3 21 15 - 3.6-5.7 HB2 LEU 38 - HA GLU 37 far 0 100 0 - 5.4-6.6 HG12 ILE 7 - HA LEU 14 far 0 25 0 - 5.9-7.5 HG2 LYS 12 - HA LEU 14 far 0 42 0 - 7.0-8.8 HG2 LYS 20 - HA LEU 14 far 0 45 0 - 7.2-8.6 HG3 ARG 91 - HA LEU 14 far 0 44 0 - 7.9-9.3 HG LEU 29 - HA LEU 14 far 0 35 0 - 8.5-10.5 HG3 LYS 66 - HA GLU 37 far 0 68 0 - 9.0-12.7 QB ALA 22 - HA LEU 14 far 0 35 0 - 9.2-10.0 HB2 ARG 91 - HA LEU 14 far 0 31 0 - 9.2-10.9 HG2 LYS 66 - HA GLU 37 far 0 71 0 - 9.3-13.8 Violated in 0 structures by 0.00 A. Peak 12311 from cnoeabs.peaks (7.46, 1.91, 29.24 ppm; 5.63 A): 4 out of 4 assignments used, quality = 1.00: HE ARG 46 + HB2 GLU 43 OK 93 99 95 99 2.5-8.2 ~10171=55, ~12084=48...(10) H LYS 47 + HB2 GLU 43 OK 82 99 100 83 4.7-6.3 6757/3.0=52...(6) HE ARG 19 + HB2 ARG 19 OK 59 59 100 100 2.8-4.8 4.8=100 HE ARG 19 + HB3 ARG 19 OK 45 45 100 100 2.9-4.5 4.8=100 Violated in 0 structures by 0.00 A. Peak 12312 from cnoeabs.peaks (7.46, 2.06, 29.24 ppm; 5.70 A): 2 out of 7 assignments used, quality = 0.96: HE ARG 46 + HB3 GLU 43 OK 88 99 90 99 4.0-7.4 ~10171=56, ~12084=49...(14) H LYS 47 + HB3 GLU 43 OK 68 98 100 69 5.5-6.6 6757/3.0=52...(4) HE ARG 19 - HB2 GLU 16 far 14 95 15 - 4.8-9.3 HD22 ASN 26 - HB2 GLU 23 poor 10 74 60 23 6.7-8.1 5.5/8620=22 HE ARG 19 - HB2 GLU 23 poor 9 74 45 26 5.7-10.3 ~8525=16, 11050/856=11 HE3 TRP 92 - HB2 GLU 99 far 0 53 0 - 9.8-12.6 HE3 TRP 92 - HB3 GLU 99 far 0 41 0 - 9.9-13.4 Violated in 3 structures by 0.03 A. Peak 12313 from cnoeabs.peaks (7.72, 4.07, 58.19 ppm; 4.28 A): 2 out of 8 assignments used, quality = 0.97: H SER 49 + HA ARG 46 OK 93 100 100 93 3.2-4.3 6804=43, 9048/9027=33...(11) H ALA 25 + HA LYS 24 OK 61 61 100 100 3.4-3.5 3.6=100 H LEU 64 - HA LYS 66 far 0 86 0 - 6.5-6.9 H MET 21 - HA LYS 24 far 0 34 0 - 6.7-7.4 HD22 ASN 51 - HA ARG 46 far 0 65 0 - 7.4-13.0 H MET 74 - HA ARG 46 far 0 85 0 - 7.4-10.0 H VAL 78 - HA ARG 46 far 0 71 0 - 7.8-9.9 H GLU 37 - HA LYS 66 far 0 75 0 - 9.3-10.9 Violated in 0 structures by 0.00 A. Peak 12314 from cnoeabs.peaks (8.56, 4.43, 55.95 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.77: H GLN 50 + HA GLU 48 OK 77 99 80 97 3.5-7.0 6808/6798=54...(17) H ASN 51 - HA GLU 48 far 0 88 0 - 6.2-8.2 Violated in 8 structures by 0.61 A. Peak 12315 from cnoeabs.peaks (1.67, 2.30, 29.70 ppm; 5.28 A): 2 out of 5 assignments used, quality = 1.00: HB ILE 52 + HB2 GLU 48 OK 100 100 100 100 3.2-6.5 3.2/9040=78...(34) HB2 LEU 2 + HB2 GLU 48 OK 39 71 55 100 4.9-7.9 3.1/9038=72, ~10432=34...(22) HD3 LYS 47 - HB2 GLU 48 far 15 98 15 - 5.6-9.2 HD2 LYS 47 - HB2 GLU 48 far 0 98 0 - 7.3-9.6 HB ILE 76 - HB2 GLU 48 far 0 87 0 - 9.3-12.0 Violated in 8 structures by 0.14 A. Peak 12316 from cnoeabs.peaks (1.67, 2.05, 29.70 ppm; 4.64 A): 2 out of 17 assignments used, quality = 0.81: HB ILE 52 + HB3 GLU 48 OK 75 100 75 100 3.3-7.5 3.2/9177=71...(29) HB2 LEU 2 + HB3 GLU 48 OK 23 68 35 97 5.1-8.9 ~9038=41, 12275/9177=32...(20) HB3 ARG 91 - HB3 GLU 88 far 1 27 5 - 5.7-7.7 HD2 LYS 47 - HB3 GLU 48 far 0 97 0 - 6.4-9.7 HD3 LYS 47 - HB3 GLU 48 far 0 96 0 - 6.7-9.1 HB3 LYS 53 - HB2 GLU 99 far 0 61 0 - 7.0-9.7 HB3 LYS 53 - HB3 GLU 99 far 0 57 0 - 7.3-10.1 HB3 ARG 79 - HB2 GLU 99 far 0 67 0 - 7.8-10.9 HG2 PRO 86 - HB3 GLU 88 far 0 22 0 - 7.9-8.4 HB3 ARG 79 - HB3 GLU 99 far 0 63 0 - 8.3-11.8 HB ILE 76 - HB3 GLU 48 far 0 90 0 - 8.6-12.3 HB3 LYS 53 - HB3 GLU 48 far 0 93 0 - 9.6-13.9 HG12 ILE 15 - HB3 GLU 88 far 0 21 0 - 9.7-10.6 HD2 LYS 24 - HB2 GLU 98 far 0 42 0 - 9.7-14.5 HD2 LYS 24 - HB3 GLU 98 far 0 42 0 - 9.8-14.9 HB3 ARG 91 - HB2 GLU 98 far 0 55 0 - 9.8-11.8 HD3 LYS 24 - HB3 GLU 98 far 0 40 0 - 9.9-14.7 Violated in 11 structures by 0.73 A. Peak 12317 from cnoeabs.peaks (2.61, 0.78, 17.78 ppm; 5.59 A): 2 out of 6 assignments used, quality = 0.88: HB3 ASP 77 + QG2 ILE 52 OK 66 84 100 79 2.3-6.2 9678/10637=37...(12) HB VAL 58 + QG2 ILE 8 OK 65 65 100 100 2.3-3.9 ~9374=72, ~8300=70...(36) HG3 MET 74 - QG2 ILE 52 far 0 97 0 - 7.2-11.1 HB3 ASP 65 - QG2 ILE 8 far 0 43 0 - 8.1-8.9 HB3 TYR 41 - QG2 ILE 52 far 0 79 0 - 8.4-10.7 HB3 TYR 41 - QG2 ILE 8 far 0 47 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 12318 from cnoeabs.peaks (2.90, 3.91, 58.27 ppm; 5.28 A): 3 out of 5 assignments used, quality = 1.00: HB2 ASN 60 + HA GLU 63 OK 99 100 100 99 4.8-5.4 10234/3.8=69...(7) HE3 LYS 66 + HA GLU 63 OK 88 100 90 98 4.9-7.1 6.1/10240=47...(12) HE2 LYS 66 + HA GLU 63 OK 64 100 65 98 4.5-7.5 6.1/10240=47...(12) HE3 LYS 68 - HA GLU 63 far 0 99 0 - 8.5-11.8 HE2 LYS 68 - HA GLU 63 far 0 98 0 - 8.5-12.1 Violated in 0 structures by 0.00 A. Peak 12319 from cnoeabs.peaks (0.80, 1.60, 27.82 ppm; 4.07 A): 5 out of 15 assignments used, quality = 0.98: QG2 ILE 15 + HG2 ARG 19 OK 82 84 100 97 2.8-5.3 8519/1.8=44, 8516/3.0=37...(14) QD2 LEU 70 + HD2 LYS 66 OK 64 100 75 86 4.3-7.1 10782/1.8=21...(21) QD1 LEU 70 + HD2 LYS 66 OK 40 96 50 83 4.5-6.9 10782/1.8=20, ~10782=16...(20) QG2 ILE 7 + HG2 ARG 19 OK 33 87 55 70 4.9-7.0 8519/1.8=26, 8245/4.9=15...(14) QD2 LEU 38 + HD2 LYS 66 OK 33 90 45 83 4.6-9.1 9517/2.9=41, 9517/2.9=27...(18) QD1 ILE 93 - HG2 ARG 19 far 9 59 15 - 5.0-6.8 QG2 ILE 8 - HD2 LYS 66 far 0 97 0 - 6.4-8.6 QD1 LEU 6 - HG2 ARG 19 far 0 60 0 - 6.4-11.6 QD2 LEU 57 - HG2 ARG 19 far 0 86 0 - 7.2-10.2 QD1 LEU 27 - HG2 ARG 19 far 0 57 0 - 7.6-9.9 QG2 VAL 32 - HG2 ARG 19 far 0 59 0 - 8.1-11.0 QG1 VAL 54 - HG2 ARG 19 far 0 45 0 - 9.0-12.7 QG2 VAL 32 - HD2 LYS 66 far 0 75 0 - 9.0-10.6 QD1 LEU 57 - HG2 ARG 19 far 0 65 0 - 9.3-11.1 QD2 LEU 42 - HD2 LYS 66 far 0 70 0 - 10.0-12.0 Violated in 3 structures by 0.05 A. Peak 12320 from cnoeabs.peaks (0.86, 1.64, 25.26 ppm; 4.59 A): 1 out of 10 assignments used, quality = 0.59: QD2 LEU 64 + HG2 LYS 68 OK 59 100 60 99 3.9-6.7 10242/3.0=55...(24) QD1 LEU 103 - HG2 LYS 68 poor 20 99 20 - 4.7-18.4 QG2 ILE 76 - HG3 LYS 47 far 0 45 0 - 6.3-9.1 QD2 LEU 103 - HG2 LYS 68 far 0 77 0 - 6.6-18.9 QD1 LEU 38 - HG2 LYS 68 far 0 100 0 - 6.9-9.0 QD2 LEU 38 - HG2 LYS 68 far 0 70 0 - 7.1-9.4 QD1 LEU 2 - HG3 LYS 47 far 0 46 0 - 8.3-10.8 QD1 LEU 57 - HG2 LYS 68 far 0 79 0 - 8.3-12.0 QG2 VAL 32 - HG2 LYS 68 far 0 85 0 - 9.1-11.7 QG2 ILE 76 - HG2 LYS 68 far 0 82 0 - 9.7-11.8 Violated in 17 structures by 1.08 A. Peak 12321 from cnoeabs.peaks (0.97, 1.35, 25.26 ppm; 4.23 A): 1 out of 4 assignments used, quality = 0.98: QG2 THR 80 + HG3 LYS 68 OK 98 98 100 100 3.1-4.7 10256/1.8=73...(21) HB2 ARG 81 - HG3 LYS 68 far 0 65 0 - 8.3-12.0 QG2 THR 80 - HG2 LYS 39 far 0 63 0 - 8.8-10.7 HG LEU 55 - HG3 LYS 68 far 0 100 0 - 9.6-12.5 Violated in 10 structures by 0.08 A. Peak 12322 from cnoeabs.peaks (3.67, 1.65, 29.52 ppm; 4.51 A): 3 out of 13 assignments used, quality = 1.00: HB THR 80 + HD3 LYS 68 OK 100 100 100 100 3.3-4.9 10788/3.0=51, 9720=49...(27) HB THR 80 + HD2 LYS 68 OK 40 100 40 100 4.5-6.5 10788/3.0=51...(24) HA LYS 90 + HD2 LYS 94 OK 33 58 85 67 4.1-8.5 7501/6.3=30, 3916/1.8=21...(15) HA GLU 37 - HD2 LYS 39 poor 13 64 20 - 4.4-8.1 HA GLU 37 - HD3 LYS 39 far 3 59 5 - 5.2-8.3 HA LEU 14 - HD3 LYS 20 far 0 47 0 - 6.8-9.3 HA LEU 14 - HD2 LYS 20 far 0 41 0 - 6.8-8.8 HA LYS 90 - HD2 LYS 20 far 0 42 0 - 6.9-9.8 HA LYS 90 - HD3 LYS 20 far 0 47 0 - 7.3-9.7 HA GLU 88 - HD2 LYS 94 far 0 52 0 - 7.5-12.5 HA LEU 42 - HD2 LYS 39 far 0 71 0 - 8.5-10.6 HA LEU 42 - HD2 LYS 47 far 0 30 0 - 8.5-11.2 HA LEU 42 - HD3 LYS 39 far 0 66 0 - 9.1-10.1 Violated in 1 structures by 0.00 A. Peak 12323 from cnoeabs.peaks (2.90, 1.70, 27.00 ppm; 5.10 A): 3 out of 10 assignments used, quality = 0.99: HE3 LYS 66 + HG LEU 70 OK 92 100 100 92 2.4-6.2 4.7/2892=25...(23) HE2 LYS 66 + HG LEU 70 OK 82 100 90 91 2.8-7.6 4.7/2892=25, ~10821=25...(22) HE3 LYS 90 + HG2 PRO 86 OK 25 43 90 65 4.0-8.1 ~12334=24, ~3842=14...(9) HE3 LYS 39 - HG LEU 70 far 13 87 15 - 6.3-8.9 HE2 LYS 39 - HG LEU 70 far 12 77 15 - 5.6-9.0 HE3 LYS 20 - HG2 PRO 86 far 0 71 0 - 7.8-12.5 HE3 LYS 68 - HG LEU 70 far 0 100 0 - 8.3-11.1 HE2 LYS 68 - HG LEU 70 far 0 99 0 - 8.5-11.3 HG2 MET 21 - HG2 PRO 86 far 0 38 0 - 9.4-12.1 HE2 LYS 20 - HG2 PRO 86 far 0 72 0 - 9.5-13.1 Violated in 0 structures by 0.00 A. Peak 12324 from cnoeabs.peaks (3.80, 2.54, 33.99 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 68 + HG3 GLN 72 OK 100 100 100 100 4.5-4.8 3.0/9563=88...(19) Violated in 0 structures by 0.00 A. Peak 12325 from cnoeabs.peaks (3.80, 2.42, 33.99 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 68 + HG2 GLN 72 OK 100 100 100 100 4.6-6.5 12324/1.8=85, ~9563=70...(18) Violated in 0 structures by 0.00 A. Peak 12326 from cnoeabs.peaks (3.31, 4.40, 55.19 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: HD2 ARG 46 + HA MET 74 OK 100 100 100 100 2.2-4.5 9012=76, 1.8/12327=75...(17) Violated in 0 structures by 0.00 A. Peak 12327 from cnoeabs.peaks (3.16, 4.40, 55.19 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.77: HD3 ARG 46 + HA MET 74 OK 77 77 100 100 3.3-5.1 1.8/12326=87...(15) Violated in 0 structures by 0.00 A. Peak 12328 from cnoeabs.peaks (4.66, 1.65, 31.20 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 55 + HB3 ARG 79 OK 96 96 100 100 2.7-4.9 12329/1.8=82...(12) Violated in 1 structures by 0.01 A. Peak 12329 from cnoeabs.peaks (4.66, 1.60, 31.20 ppm; 4.52 A): 1 out of 1 assignment used, quality = 0.96: HA LEU 55 + HB2 ARG 79 OK 96 96 100 99 2.7-5.4 12328/1.8=75...(13) Violated in 7 structures by 0.19 A. Peak 12330 from cnoeabs.peaks (4.65, 3.07, 43.09 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.73: HA LEU 55 + HD2 ARG 79 OK 59 94 65 96 2.4-6.4 12329/3.8=52...(18) HA LEU 55 + HD3 ARG 79 OK 36 94 40 96 1.8-6.8 12329/3.8=52...(16) Violated in 13 structures by 0.72 A. Peak 12331 from cnoeabs.peaks (0.85, 2.74, 41.51 ppm; 5.34 A): 1 out of 9 assignments used, quality = 1.00: QD2 LEU 64 + HE2 LYS 82 OK 100 100 100 100 1.9-5.2 10940/3.0=78...(19) QD2 LEU 103 - HE2 LYS 82 far 0 79 0 - 7.6-21.3 QD1 LEU 57 - HE2 LYS 82 far 0 81 0 - 7.7-9.0 QG2 VAL 32 - HE2 LYS 40 far 0 29 0 - 7.9-10.4 QD1 LEU 103 - HE2 LYS 82 far 0 99 0 - 8.4-19.9 QD1 LEU 38 - HE2 LYS 40 far 0 38 0 - 8.7-10.6 QD2 LEU 38 - HE2 LYS 40 far 0 22 0 - 9.0-11.2 QD1 LEU 38 - HE2 LYS 82 far 0 100 0 - 9.7-14.4 QD2 LEU 38 - HE2 LYS 82 far 0 71 0 - 9.7-13.3 Violated in 0 structures by 0.00 A. Peak 12332 from cnoeabs.peaks (0.73, 2.74, 41.51 ppm; 5.55 A): 2 out of 8 assignments used, quality = 1.00: QD1 LEU 64 + HE2 LYS 82 OK 100 100 100 100 3.6-6.4 2.1/12331=83, ~10940=58...(25) QG1 VAL 58 + HE2 LYS 82 OK 37 96 40 97 5.5-8.0 ~9768=54, 9386/3715=48...(12) QD1 ILE 8 - HE2 LYS 82 far 0 84 0 - 7.8-10.6 QD1 LEU 6 - HE2 LYS 40 far 0 21 0 - 8.4-10.8 QD2 LEU 14 - HE2 LYS 82 far 0 82 0 - 8.5-11.2 HG3 ARG 81 - HE2 LYS 82 far 0 100 0 - 8.7-11.1 QD2 LEU 42 - HE2 LYS 40 far 0 24 0 - 8.7-11.5 QD1 ILE 56 - HE2 LYS 82 far 0 81 0 - 9.2-12.9 Violated in 8 structures by 0.03 A. Peak 12333 from cnoeabs.peaks (2.44, 2.12, 31.71 ppm; 4.69 A): 2 out of 8 assignments used, quality = 0.96: HG3 GLU 17 + HB2 PRO 86 OK 83 100 100 83 2.3-5.1 8478/9886=18...(23) HG3 GLU 17 + HB3 PRO 86 OK 74 91 100 81 2.0-5.3 8478/9886=16...(23) HB2 ASP 11 - HB2 PRO 86 far 0 100 0 - 6.4-7.5 HG3 MET 21 - HB3 PRO 86 far 0 57 0 - 7.0-9.7 HB3 MET 21 - HB3 PRO 86 far 0 55 0 - 7.3-8.5 HG3 MET 21 - HB2 PRO 86 far 0 68 0 - 8.1-10.6 HB2 ASP 11 - HB3 PRO 86 far 0 92 0 - 8.1-9.2 HB3 MET 21 - HB2 PRO 86 far 0 65 0 - 8.1-9.2 Violated in 0 structures by 0.00 A. Peak 12334 from cnoeabs.peaks (2.81, 2.12, 31.71 ppm; 6.02 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 90 + HB2 PRO 86 OK 98 100 100 98 4.9-6.4 10314/4.9=73, ~12146=17...(23) HE2 LYS 90 + HB3 PRO 86 OK 89 92 100 97 3.3-4.7 10314/4.9=73...(24) Violated in 0 structures by 0.00 A. Peak 12335 from cnoeabs.peaks (2.96, 2.12, 31.71 ppm; 5.68 A): 7 out of 13 assignments used, quality = 1.00: HE2 LYS 13 + HB2 PRO 86 OK 91 100 100 91 3.3-5.9 3.8/10957=46, ~3810=15...(20) HE3 LYS 13 + HB2 PRO 86 OK 86 100 95 91 3.1-7.3 3.8/10957=46, ~3810=15...(19) HE3 LYS 90 + HB2 PRO 86 OK 75 90 90 93 3.2-7.8 1.8/12334=39, ~12334=29...(19) HE3 LYS 90 + HB3 PRO 86 OK 72 78 100 93 2.0-6.1 1.8/12334=36, ~12334=32...(21) HE2 LYS 13 + HB3 PRO 86 OK 65 92 90 79 4.4-7.4 ~3810=15, ~1118=15...(16) HE3 LYS 13 + HB3 PRO 86 OK 62 92 85 79 4.2-8.6 ~3810=15, ~1118=15...(15) HB3 ASP 11 + HB2 PRO 86 OK 22 65 100 34 5.1-6.2 8414/10407=9...(8) HB3 ASP 11 - HB3 PRO 86 poor 10 55 75 24 6.8-7.9 8416/10405=7...(6) HG2 MET 21 - HB3 PRO 86 poor 6 82 25 30 6.7-9.4 9906/4.9=8, 7424/9944=7...(8) HG2 MET 21 - HB2 PRO 86 far 0 94 0 - 7.8-10.4 HB2 SER 9 - HB2 PRO 86 far 0 71 0 - 7.8-9.1 HE2 LYS 94 - HB3 PRO 86 far 0 51 0 - 8.8-12.7 HB2 SER 9 - HB3 PRO 86 far 0 60 0 - 9.2-10.3 Violated in 0 structures by 0.00 A. Peak 12336 from cnoeabs.peaks (4.80, 1.94, 36.78 ppm; 5.20 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 83 + HG3 GLU 88 OK 100 100 100 100 2.8-4.4 12337/1.8=83...(20) HA TRP 92 - HG3 GLU 88 far 0 94 0 - 7.1-9.1 Violated in 0 structures by 0.00 A. Peak 12337 from cnoeabs.peaks (4.80, 2.14, 36.78 ppm; 5.12 A): 1 out of 2 assignments used, quality = 1.00: HA VAL 83 + HG2 GLU 88 OK 100 100 100 100 4.0-5.7 12223/3889=82...(26) HA TRP 92 - HG2 GLU 88 far 9 94 10 - 6.0-8.2 Violated in 15 structures by 0.18 A. Peak 12338 from cnoeabs.peaks (3.83, 2.49, 36.23 ppm; 4.90 A): 3 out of 6 assignments used, quality = 1.00: HA ARG 19 + HG3 GLU 23 OK 91 96 100 95 3.2-5.7 4.0/12291=53, 8513=39...(10) HA ALA 22 + HG3 GLU 23 OK 84 100 85 99 5.7-6.5 3.6/1042=79...(10) HA SER 97 + HG3 GLU 98 OK 69 71 100 98 5.0-5.8 3.6/7594=64...(11) HB3 SER 102 - HG3 GLU 98 far 0 67 0 - 7.6-13.6 HA ALA 22 - HG3 GLU 98 far 0 73 0 - 7.9-9.8 HA ALA 67 - HG3 GLU 63 far 0 39 0 - 8.7-10.7 Violated in 0 structures by 0.00 A. Peak 14501 from cnoeabs.peaks (5.14, 6.43, 132.25 ppm; 4.51 A): 4 out of 4 assignments used, quality = 1.00: * HA TYR 4 + QD TYR 4 OK 100 100 100 100 2.1-3.1 3.7=100 HA VAL 54 + QD TYR 4 OK 96 96 100 100 3.3-4.2 10204/2.5=61...(30) HA LEU 3 + QD TYR 4 OK 94 96 100 97 2.9-4.4 99/4.5=57, 8062=28...(27) HA VAL 5 + QD TYR 4 OK 61 63 100 96 5.7-5.9 3.0/6050=69, ~6049=42...(13) Violated in 0 structures by 0.00 A. Peak 14502 from cnoeabs.peaks (2.29, 6.43, 132.25 ppm; 4.59 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 4 + QD TYR 4 OK 100 100 100 100 2.3-2.6 2.5=100 HB2 GLU 48 - QD TYR 4 far 5 100 5 - 6.0-8.8 HB2 TYR 41 - QD TYR 4 far 0 88 0 - 6.9-8.8 HG2 GLU 23 - QD TYR 4 far 0 91 0 - 7.3-11.5 Violated in 0 structures by 0.00 A. Peak 14503 from cnoeabs.peaks (2.46, 6.43, 132.25 ppm; 4.45 A): 2 out of 4 assignments used, quality = 1.00: * HB3 TYR 4 + QD TYR 4 OK 100 100 100 100 2.3-2.8 2.5=100 HG3 GLU 48 + QD TYR 4 OK 22 79 35 81 5.5-7.5 8129/2.2=25...(16) HG3 GLU 23 - QD TYR 4 far 0 73 0 - 8.7-10.9 HG3 GLN 50 - QD TYR 4 far 0 82 0 - 9.9-12.8 Violated in 0 structures by 0.00 A. Peak 14504 from cnoeabs.peaks (6.43, 6.43, 132.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 4 + QD TYR 4 OK 100 100 - 100 Peak 14505 from cnoeabs.peaks (6.45, 6.43, 132.25 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: QD TYR 4 + QD TYR 4 OK 99 99 - 100 Reference assignment not found: QE TYR 4 - QD TYR 4 Peak 14506 from cnoeabs.peaks (6.43, 6.45, 118.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: QE TYR 4 + QE TYR 4 OK 98 98 - 100 Reference assignment not found: QD TYR 4 - QE TYR 4 Peak 14507 from cnoeabs.peaks (6.45, 6.45, 118.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 4 + QE TYR 4 OK 100 100 - 100 Peak 14508 from cnoeabs.peaks (3.93, 6.83, 131.89 ppm; 4.24 A): 1 out of 2 assignments used, quality = 1.00: * HA TYR 41 + QD TYR 41 OK 100 100 100 100 2.1-2.9 3.7=100 HA GLU 44 - QD TYR 41 far 0 99 0 - 7.2-8.2 Violated in 0 structures by 0.00 A. Peak 14509 from cnoeabs.peaks (2.31, 6.83, 131.89 ppm; 4.69 A): 1 out of 4 assignments used, quality = 1.00: * HB2 TYR 41 + QD TYR 41 OK 100 100 100 100 2.3-2.8 2.5=100 HG3 GLU 44 - QD TYR 41 poor 17 59 35 83 4.3-7.9 3.0/8988=55, 4.8/8984=38...(10) HG3 GLU 43 - QD TYR 41 far 0 99 0 - 6.7-7.8 HB2 TYR 4 - QD TYR 41 far 0 88 0 - 7.6-8.7 Violated in 0 structures by 0.00 A. Peak 14510 from cnoeabs.peaks (2.64, 6.83, 131.89 ppm; 4.64 A): 2 out of 3 assignments used, quality = 1.00: * HB3 TYR 41 + QD TYR 41 OK 100 100 100 100 2.3-2.8 2.5=100 HD2 ARG 30 + QD TYR 41 OK 67 67 100 100 3.2-4.8 1.8/8710=39, ~8897=35...(25) HG3 MET 74 - QD TYR 41 far 0 96 0 - 8.1-10.3 Violated in 0 structures by 0.00 A. Peak 14511 from cnoeabs.peaks (6.83, 6.83, 131.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 41 + QD TYR 41 OK 100 100 - 100 Peak 14512 from cnoeabs.peaks (6.86, 6.83, 131.89 ppm; diagonal): 1 out of 1 assignment used, quality = 0.78: QD TYR 41 + QD TYR 41 OK 78 78 - 100 Reference assignment not found: QE TYR 41 - QD TYR 41 Peak 14513 from cnoeabs.peaks (6.83, 6.86, 118.20 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: QE TYR 41 + QE TYR 41 OK 77 77 - 100 Reference assignment not found: QD TYR 41 - QE TYR 41 Peak 14514 from cnoeabs.peaks (6.86, 6.86, 118.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 41 + QE TYR 41 OK 100 100 - 100 Peak 14515 from cnoeabs.peaks (4.52, 6.66, 129.63 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 45 + QD PHE 45 OK 100 100 100 100 2.0-2.4 3.7=100 Violated in 0 structures by 0.00 A. Peak 14516 from cnoeabs.peaks (2.99, 6.66, 129.63 ppm; 5.36 A): 2 out of 4 assignments used, quality = 1.00: * HB2 PHE 45 + QD PHE 45 OK 99 99 100 100 2.4-2.8 2.5=100 HB3 PHE 45 + QD PHE 45 OK 91 91 100 100 2.3-2.8 2.5=100 HE2 LYS 47 - QD PHE 45 poor 8 97 30 27 5.7-8.4 12105/8987=20...(4) HE3 LYS 47 - QD PHE 45 far 5 97 5 - 6.0-9.3 Violated in 0 structures by 0.00 A. Peak 14517 from cnoeabs.peaks (2.97, 6.66, 129.63 ppm; 5.17 A): 2 out of 4 assignments used, quality = 1.00: * HB3 PHE 45 + QD PHE 45 OK 100 100 100 100 2.3-2.8 2.5=100 HB2 PHE 45 + QD PHE 45 OK 95 95 100 100 2.4-2.8 2.5=100 HE2 LYS 47 - QD PHE 45 poor 10 99 30 32 5.7-8.4 8977/8987=20...(7) HE3 LYS 47 - QD PHE 45 far 5 99 5 - 6.0-9.3 Violated in 0 structures by 0.00 A. Peak 14518 from cnoeabs.peaks (6.66, 6.66, 129.63 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * QD PHE 45 + QD PHE 45 OK 99 99 - 100 Peak 14519 from cnoeabs.peaks (6.51, 6.66, 129.63 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QD PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14520 from cnoeabs.peaks (6.14, 6.66, 129.63 ppm; 6.25 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QD PHE 45 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 14521 from cnoeabs.peaks (6.66, 6.51, 129.73 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14522 from cnoeabs.peaks (6.51, 6.51, 129.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + QE PHE 45 OK 100 100 - 100 Peak 14523 from cnoeabs.peaks (6.14, 6.51, 129.73 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + QE PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14524 from cnoeabs.peaks (6.66, 6.14, 127.52 ppm; 6.03 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 45 + HZ PHE 45 OK 100 100 100 100 3.8-3.8 3.8=100 Violated in 0 structures by 0.00 A. Peak 14525 from cnoeabs.peaks (6.51, 6.14, 127.52 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 45 + HZ PHE 45 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14526 from cnoeabs.peaks (6.14, 6.14, 127.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 45 + HZ PHE 45 OK 100 100 - 100 Peak 14527 from cnoeabs.peaks (4.82, 6.87, 127.01 ppm; 4.65 A): 1 out of 2 assignments used, quality = 1.00: * HA TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.3-2.6 4.5=100 HA VAL 83 - HD1 TRP 92 far 0 89 0 - 7.7-8.5 Violated in 0 structures by 0.00 A. Peak 14528 from cnoeabs.peaks (3.10, 6.87, 127.01 ppm; 4.81 A): 1 out of 6 assignments used, quality = 1.00: * HB2 TRP 92 + HD1 TRP 92 OK 100 100 100 100 3.5-3.8 3.9=100 HB2 HIS 105 - HD1 TRP 92 far 9 87 10 - 5.5-18.6 HB3 HIS 105 - HD1 TRP 92 far 3 65 5 - 4.1-19.0 HB2 PHE 96 - HD1 TRP 92 far 0 100 0 - 7.7-8.8 HD3 ARG 79 - HD1 TRP 92 far 0 82 0 - 8.9-13.7 HD2 ARG 79 - HD1 TRP 92 far 0 79 0 - 9.6-14.1 Violated in 0 structures by 0.00 A. Peak 14529 from cnoeabs.peaks (3.20, 6.87, 127.01 ppm; 5.54 A): 1 out of 2 assignments used, quality = 1.00: * HB3 TRP 92 + HD1 TRP 92 OK 100 100 100 100 3.4-3.7 3.9=100 HB2 HIS 106 - HD1 TRP 92 far 14 95 15 - 4.7-20.0 Violated in 0 structures by 0.00 A. Peak 14530 from cnoeabs.peaks (6.87, 6.87, 127.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD1 TRP 92 + HD1 TRP 92 OK 100 100 - 100 Peak 14531 from cnoeabs.peaks (7.43, 6.87, 127.01 ppm; 5.81 A): 3 out of 3 assignments used, quality = 1.00: * HE3 TRP 92 + HD1 TRP 92 OK 100 100 100 100 5.1-5.1 5.1=100 H ALA 89 + HD1 TRP 92 OK 100 100 100 100 5.3-6.0 9934=100, 3.0/9935=93...(16) H ARG 91 + HD1 TRP 92 OK 59 59 100 100 4.1-4.8 4.6/7466=77...(17) Violated in 0 structures by 0.00 A. Peak 14532 from cnoeabs.peaks (10.29, 6.87, 127.01 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HE1 TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.6-2.6 2.6=100 Violated in 0 structures by 0.00 A. Peak 14534 from cnoeabs.peaks (7.49, 6.87, 127.01 ppm; 6.03 A): 2 out of 2 assignments used, quality = 1.00: * HZ2 TRP 92 + HD1 TRP 92 OK 100 100 100 100 5.0-5.0 5.0=100 H ARG 91 + HD1 TRP 92 OK 91 91 100 100 4.1-4.8 7455/7466=86...(15) Violated in 0 structures by 0.00 A. Peak 14537 from cnoeabs.peaks (7.43, 7.43, 120.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 TRP 92 + HE3 TRP 92 OK 100 100 - 100 Peak 14539 from cnoeabs.peaks (7.06, 7.43, 120.39 ppm; 4.62 A): 1 out of 3 assignments used, quality = 1.00: * HZ3 TRP 92 + HE3 TRP 92 OK 100 100 100 100 2.5-2.5 2.5=100 QD PHE 96 - HE3 TRP 92 far 0 75 0 - 6.4-7.8 HZ PHE 96 - HE3 TRP 92 far 0 100 0 - 9.6-11.3 Violated in 0 structures by 0.00 A. Peak 14541 from cnoeabs.peaks (7.24, 7.43, 120.39 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: * HH2 TRP 92 + HE3 TRP 92 OK 100 100 100 100 4.3-4.3 4.3=100 Violated in 0 structures by 0.00 A. Peak 14543 from cnoeabs.peaks (7.43, 7.06, 122.12 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.98: * HE3 TRP 92 + HZ3 TRP 92 OK 98 98 100 100 2.5-2.5 2.5=100 H ALA 89 - HZ3 TRP 92 far 0 97 0 - 7.0-7.8 H ARG 91 - HZ3 TRP 92 far 0 56 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 14545 from cnoeabs.peaks (7.06, 7.06, 122.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * HZ3 TRP 92 + HZ3 TRP 92 OK 98 98 - 100 Peak 14546 from cnoeabs.peaks (7.49, 7.06, 122.12 ppm; 4.53 A): 1 out of 2 assignments used, quality = 0.98: * HZ2 TRP 92 + HZ3 TRP 92 OK 98 98 100 100 4.3-4.3 4.3=100 H ARG 91 - HZ3 TRP 92 far 0 87 0 - 9.0-9.4 Violated in 0 structures by 0.00 A. Peak 14547 from cnoeabs.peaks (7.24, 7.06, 122.12 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.98: * HH2 TRP 92 + HZ3 TRP 92 OK 98 98 100 100 2.4-2.4 2.4=100 Violated in 0 structures by 0.00 A. Peak 14550 from cnoeabs.peaks (10.29, 7.49, 114.39 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: HE1 TRP 92 + HZ2 TRP 92 OK 99 99 100 100 2.8-2.8 2.8=100 Violated in 0 structures by 0.00 A. Peak 14551 from cnoeabs.peaks (7.06, 7.49, 114.39 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.99: * HZ3 TRP 92 + HZ2 TRP 92 OK 99 99 100 100 4.3-4.3 4.3=100 QD PHE 96 - HZ2 TRP 92 far 0 73 0 - 9.9-11.7 Violated in 0 structures by 0.00 A. Peak 14552 from cnoeabs.peaks (7.49, 7.49, 114.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ2 TRP 92 + HZ2 TRP 92 OK 99 99 - 100 Peak 14553 from cnoeabs.peaks (7.24, 7.49, 114.39 ppm; 3.94 A): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 92 + HZ2 TRP 92 OK 99 99 100 100 2.5-2.5 2.5=100 Violated in 0 structures by 0.00 A. Peak 14555 from cnoeabs.peaks (7.43, 7.24, 124.65 ppm; 4.40 A): 1 out of 3 assignments used, quality = 0.99: * HE3 TRP 92 + HH2 TRP 92 OK 99 99 100 100 4.3-4.3 4.3=100 H ALA 89 - HH2 TRP 92 far 0 98 0 - 7.5-8.1 H ARG 91 - HH2 TRP 92 far 0 57 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 14556 from cnoeabs.peaks (10.29, 7.24, 124.65 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.99: HE1 TRP 92 + HH2 TRP 92 OK 99 99 100 100 5.0-5.0 5.0=100 Violated in 0 structures by 0.00 A. Peak 14557 from cnoeabs.peaks (7.06, 7.24, 124.65 ppm; 3.95 A): 1 out of 2 assignments used, quality = 0.99: * HZ3 TRP 92 + HH2 TRP 92 OK 99 99 100 100 2.4-2.4 2.4=100 QD PHE 96 - HH2 TRP 92 far 0 72 0 - 9.9-11.3 Violated in 0 structures by 0.00 A. Peak 14558 from cnoeabs.peaks (7.49, 7.24, 124.65 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.99: * HZ2 TRP 92 + HH2 TRP 92 OK 99 99 100 100 2.5-2.5 2.5=100 H ARG 91 - HH2 TRP 92 far 0 88 0 - 9.3-9.8 Violated in 0 structures by 0.00 A. Peak 14559 from cnoeabs.peaks (7.24, 7.24, 124.65 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HH2 TRP 92 + HH2 TRP 92 OK 99 99 - 100 Peak 14560 from cnoeabs.peaks (4.50, 7.03, 131.42 ppm; 4.97 A): 1 out of 2 assignments used, quality = 0.96: * HA PHE 96 + QD PHE 96 OK 96 96 100 100 1.9-3.1 3.7=100 HA LEU 2 - QD PHE 96 far 0 71 0 - 7.6-8.9 Violated in 0 structures by 0.00 A. Peak 14561 from cnoeabs.peaks (3.10, 7.03, 131.42 ppm; 5.20 A): 4 out of 7 assignments used, quality = 1.00: * HB2 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.5 2.4=100 HD2 ARG 79 + QD PHE 96 OK 71 82 90 96 2.3-7.1 1.8/9700=38...(16) HD3 ARG 79 + QD PHE 96 OK 65 85 80 95 3.8-7.5 ~10912=36, 10912/2.2=35...(13) HB2 TRP 92 + QD PHE 96 OK 42 100 55 76 4.9-7.1 9987/9284=38...(12) HB2 HIS 105 - QD PHE 96 far 4 84 5 - 5.4-15.0 HB3 HIS 105 - QD PHE 96 far 3 69 5 - 5.5-15.3 HB3 ASN 26 - QD PHE 96 far 0 73 0 - 7.8-9.3 Violated in 0 structures by 0.00 A. Peak 14562 from cnoeabs.peaks (3.47, 7.03, 131.42 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 96 + QD PHE 96 OK 100 100 100 100 2.3-2.7 2.4=100 Violated in 0 structures by 0.00 A. Peak 14563 from cnoeabs.peaks (7.03, 7.03, 131.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 96 + QD PHE 96 OK 100 100 - 100 Peak 14564 from cnoeabs.peaks (6.96, 7.03, 131.42 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 96 + QD PHE 96 OK 100 100 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14565 from cnoeabs.peaks (7.06, 7.03, 131.42 ppm; diagonal): 1 out of 1 assignment used, quality = 0.73: QD PHE 96 + QD PHE 96 OK 73 73 - 100 Reference assignment not found: HZ PHE 96 - QD PHE 96 Peak 14566 from cnoeabs.peaks (7.03, 6.96, 131.40 ppm; 3.95 A): 2 out of 3 assignments used, quality = 1.00: * QD PHE 96 + QE PHE 96 OK 100 100 100 100 2.2-2.2 2.2=100 HZ PHE 96 + QE PHE 96 OK 70 70 100 100 2.2-2.2 2.2=100 HZ3 TRP 92 - QE PHE 96 far 0 68 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 14567 from cnoeabs.peaks (6.96, 6.96, 131.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 96 + QE PHE 96 OK 100 100 - 100 Peak 14568 from cnoeabs.peaks (7.06, 6.96, 131.40 ppm; 4.65 A): 2 out of 3 assignments used, quality = 1.00: * HZ PHE 96 + QE PHE 96 OK 100 100 100 100 2.2-2.2 2.2=100 QD PHE 96 + QE PHE 96 OK 72 72 100 100 2.2-2.2 2.2=100 HZ3 TRP 92 - QE PHE 96 far 0 100 0 - 9.0-11.0 Violated in 0 structures by 0.00 A. Peak 14569 from cnoeabs.peaks (7.03, 7.06, 130.85 ppm; diagonal): 1 out of 1 assignment used, quality = 0.69: HZ PHE 96 + HZ PHE 96 OK 69 69 - 100 Reference assignment not found: QD PHE 96 - HZ PHE 96 Peak 14570 from cnoeabs.peaks (6.96, 7.06, 130.85 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.99: * QE PHE 96 + HZ PHE 96 OK 99 99 100 100 2.2-2.2 2.2=100 Violated in 0 structures by 0.00 A. Peak 14571 from cnoeabs.peaks (7.06, 7.06, 130.85 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HZ PHE 96 + HZ PHE 96 OK 99 99 - 100 Peak 14572 from cnoeabs.peaks (2.04, 6.43, 132.25 ppm; 5.70 A): 3 out of 7 assignments used, quality = 1.00: HG2 GLU 28 + QD TYR 4 OK 92 92 100 100 4.3-5.7 3.7/14579=53...(20) HG3 GLU 28 + QD TYR 4 OK 92 92 100 100 3.1-5.4 3.7/14579=53...(20) HB3 GLU 48 + QD TYR 4 OK 29 100 30 97 6.3-9.6 9177/9148=43, ~8130=32...(14) HG12 ILE 93 - QD TYR 4 far 0 100 0 - 8.7-10.5 HB2 GLN 50 - QD TYR 4 far 0 92 0 - 8.8-11.6 HB2 MET 74 - QD TYR 4 far 0 93 0 - 9.7-12.6 HB3 GLU 43 - QD TYR 4 far 0 91 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 14573 from cnoeabs.peaks (1.70, 6.43, 132.25 ppm; 4.62 A): 3 out of 5 assignments used, quality = 1.00: HB2 LEU 2 + QD TYR 4 OK 100 100 100 100 3.6-6.1 8039/2.2=62, 1.8/8040=44...(31) HB ILE 52 + QD TYR 4 OK 81 81 100 100 2.9-5.8 2.1/9143=44, 3.2/9148=38...(36) HB3 LYS 53 + QD TYR 4 OK 69 98 100 71 5.2-6.0 9209/4.5=36...(11) HD3 LYS 47 - QD TYR 4 far 0 95 0 - 8.7-12.6 HD2 LYS 47 - QD TYR 4 far 0 94 0 - 9.6-12.5 Violated in 0 structures by 0.00 A. Peak 14574 from cnoeabs.peaks (1.53, 6.43, 132.25 ppm; 4.88 A): 5 out of 11 assignments used, quality = 1.00: HG LEU 2 + QD TYR 4 OK 89 99 90 100 3.6-6.4 2.1/8042=42, 2.1/8041=42...(31) HG3 ARG 30 + QD TYR 4 OK 81 100 90 90 4.4-6.5 1.8/8702=39, ~8702=24...(15) HB2 LEU 3 + QD TYR 4 OK 78 82 100 95 4.9-6.0 6034/4.5=37, 3.0/8062=29...(19) HB3 GLU 28 + QD TYR 4 OK 63 63 100 99 2.6-3.8 1.8/8652=51...(20) HG LEU 6 + QD TYR 4 OK 50 100 50 99 5.8-7.3 2.1/8209=82, 2.1/8213=50...(21) HD3 LYS 53 - QD TYR 4 far 0 84 0 - 6.9-8.3 HG12 ILE 56 - QD TYR 4 far 0 100 0 - 7.7-9.5 HG3 ARG 79 - QD TYR 4 far 0 99 0 - 8.1-12.1 HG2 ARG 79 - QD TYR 4 far 0 99 0 - 8.5-11.9 HG2 LYS 47 - QD TYR 4 far 0 68 0 - 8.8-12.4 HB ILE 7 - QD TYR 4 far 0 100 0 - 10.0-10.8 Violated in 0 structures by 0.00 A. Peak 14575 from cnoeabs.peaks (1.32, 6.43, 132.25 ppm; 5.72 A): 4 out of 7 assignments used, quality = 1.00: HB3 LEU 2 + QD TYR 4 OK 96 96 100 100 3.7-6.6 ~8039=61, 8040/2.2=47...(30) HG LEU 3 + QD TYR 4 OK 91 94 100 97 5.3-6.5 123/4.5=59, 3.7/8062=35...(20) HG2 ARG 30 + QD TYR 4 OK 85 88 100 96 4.3-5.9 8702=45, 8702/2.2=34...(17) HB3 LEU 27 + QD TYR 4 OK 65 82 100 79 4.0-5.3 8185/6050=34...(8) HB3 LEU 42 - QD TYR 4 far 5 97 5 - 6.5-8.7 QB ALA 25 - QD TYR 4 far 0 90 0 - 7.8-8.7 QB ALA 67 - QD TYR 4 far 0 92 0 - 9.4-10.2 Violated in 0 structures by 0.00 A. Peak 14576 from cnoeabs.peaks (0.75, 6.43, 132.25 ppm; 4.21 A): 3 out of 13 assignments used, quality = 1.00: QG1 VAL 54 + QD TYR 4 OK 99 99 100 100 2.5-4.3 9245/2.5=57, ~9239=46...(29) QG2 ILE 52 + QD TYR 4 OK 85 85 100 100 3.8-5.0 9143/2.2=39, 9143=36...(37) QD2 LEU 27 + QD TYR 4 OK 44 87 85 59 4.4-6.0 4.7/8649=14...(15) QD1 LEU 6 - QD TYR 4 far 14 95 15 - 3.8-6.8 QD2 LEU 42 - QD TYR 4 poor 8 98 25 31 4.9-7.0 8144/2.5=10, 8147/2.5=8...(6) QG1 VAL 78 - QD TYR 4 far 5 99 5 - 5.5-6.7 QD1 LEU 27 - QD TYR 4 far 5 96 5 - 5.4-6.4 QG1 VAL 5 - QD TYR 4 far 0 82 0 - 6.4-6.6 QG2 VAL 78 - QD TYR 4 far 0 73 0 - 7.2-8.3 QG2 ILE 93 - QD TYR 4 far 0 100 0 - 7.4-8.3 HG13 ILE 56 - QD TYR 4 far 0 59 0 - 7.7-9.9 QD1 ILE 93 - QD TYR 4 far 0 96 0 - 8.2-9.2 HG13 ILE 93 - QD TYR 4 far 0 99 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 14577 from cnoeabs.peaks (0.69, 6.43, 132.25 ppm; 4.37 A): 3 out of 10 assignments used, quality = 1.00: QD1 ILE 52 + QD TYR 4 OK 100 100 100 100 2.4-4.1 9148=49, 9148/2.2=43...(34) QD2 LEU 6 + QD TYR 4 OK 99 100 100 99 4.0-5.3 8209=90, 2.1/8213=39...(23) QG2 VAL 54 + QD TYR 4 OK 69 70 100 100 1.8-3.3 9239/2.5=48, 9238/2.5=43...(33) QD1 ILE 56 - QD TYR 4 far 0 93 0 - 6.0-7.7 QD1 LEU 29 - QD TYR 4 far 0 68 0 - 6.3-7.9 QG1 VAL 5 - QD TYR 4 far 0 61 0 - 6.4-6.6 QG2 VAL 78 - QD TYR 4 far 0 71 0 - 7.2-8.3 QD1 LEU 42 - QD TYR 4 far 0 100 0 - 7.3-9.0 HG13 ILE 56 - QD TYR 4 far 0 84 0 - 7.7-9.9 QD1 ILE 8 - QD TYR 4 far 0 91 0 - 9.6-10.8 Violated in 0 structures by 0.00 A. Peak 14579 from cnoeabs.peaks (4.31, 6.43, 132.25 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 28 + QD TYR 4 OK 100 100 100 100 4.6-5.2 3.0/8652=52, 3.0/8653=50...(18) Violated in 0 structures by 0.00 A. Peak 14581 from cnoeabs.peaks (5.14, 6.45, 118.20 ppm; 6.02 A): 3 out of 4 assignments used, quality = 1.00: HA TYR 4 + QE TYR 4 OK 100 100 100 100 4.4-4.7 5.7=100 HA LEU 3 + QE TYR 4 OK 96 96 100 100 4.3-5.2 99/8126=67, 8062=46...(20) HA VAL 54 + QE TYR 4 OK 94 94 100 100 5.6-6.5 10204/4.4=69...(17) HA VAL 5 - QE TYR 4 far 0 65 0 - 7.8-8.0 Violated in 0 structures by 0.00 A. Peak 14582 from cnoeabs.peaks (7.81, 6.43, 132.25 ppm; 6.33 A): 3 out of 5 assignments used, quality = 1.00: H GLU 28 + QD TYR 4 OK 99 99 100 100 2.7-4.0 8655/3.7=92...(19) HE ARG 30 + QD TYR 4 OK 63 95 80 83 3.9-9.1 4.0/8702=43, 2.9/8708=27...(9) H LEU 3 + QD TYR 4 OK 61 61 100 100 3.4-4.8 6032/4.5=51, 3.0/8062=44...(21) H ASN 26 - QD TYR 4 far 0 70 0 - 8.7-9.9 H TYR 41 - QD TYR 4 far 0 95 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 14583 from cnoeabs.peaks (8.35, 6.43, 132.25 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.97: H TYR 4 + QD TYR 4 OK 97 97 100 100 2.7-3.6 4.5=100 Violated in 0 structures by 0.00 A. Peak 14584 from cnoeabs.peaks (8.45, 6.43, 132.25 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: H LEU 29 + QD TYR 4 OK 100 100 100 100 5.4-6.0 6462/14579=76...(15) H LYS 53 + QD TYR 4 OK 93 93 100 100 2.6-3.9 11098/4.5=76...(26) H ILE 7 - QD TYR 4 far 0 99 0 - 8.7-9.7 Violated in 0 structures by 0.00 A. Peak 14585 from cnoeabs.peaks (8.91, 6.43, 132.25 ppm; 6.35 A): 2 out of 3 assignments used, quality = 1.00: H VAL 5 + QD TYR 4 OK 100 100 100 100 3.3-3.9 4.8=100 H ASP 77 + QD TYR 4 OK 47 85 90 61 6.7-8.1 4.3/14599=32...(6) H LEU 57 - QD TYR 4 far 0 96 0 - 9.9-10.7 Violated in 0 structures by 0.00 A. Peak 14586 from cnoeabs.peaks (7.81, 6.45, 118.20 ppm; 6.50 A): 3 out of 5 assignments used, quality = 1.00: H GLU 28 + QE TYR 4 OK 99 99 100 100 4.7-5.1 8655/5.7=74, ~14579=57...(13) H LEU 3 + QE TYR 4 OK 61 61 100 100 3.6-5.0 4.6/8126=66, 4.6/8039=65...(18) HE ARG 30 + QE TYR 4 OK 55 94 70 83 4.3-9.9 4.0/8702=38, ~8708=35...(7) H TYR 41 - QE TYR 4 far 0 94 0 - 9.3-11.0 H ASN 26 - QE TYR 4 far 0 69 0 - 9.5-10.5 Violated in 0 structures by 0.00 A. Peak 14588 from cnoeabs.peaks (4.53, 6.45, 118.20 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.89: HA PHE 45 + QE TYR 4 OK 89 99 100 89 3.7-4.7 9170/9148=48...(9) Violated in 0 structures by 0.00 A. Peak 14589 from cnoeabs.peaks (2.44, 6.45, 118.20 ppm; 6.31 A): 3 out of 4 assignments used, quality = 1.00: HB3 TYR 4 + QE TYR 4 OK 97 97 100 100 4.4-4.5 4.4=100 HG3 GLU 48 + QE TYR 4 OK 93 95 100 98 3.5-5.8 3.0/8130=41...(16) HG3 MET 1 + QE TYR 4 OK 33 82 85 48 6.5-8.0 8035/9140=19...(7) HG3 GLN 50 - QE TYR 4 far 0 96 0 - 8.3-12.3 Violated in 0 structures by 0.00 A. Peak 14590 from cnoeabs.peaks (2.28, 6.45, 118.20 ppm; 6.10 A): 2 out of 4 assignments used, quality = 1.00: HB2 TYR 4 + QE TYR 4 OK 99 99 100 100 4.4-4.5 4.4=100 HB2 GLU 48 + QE TYR 4 OK 94 95 100 99 3.8-6.9 10620/14588=47...(17) HB2 TYR 41 - QE TYR 4 far 0 73 0 - 8.1-10.0 HG2 GLU 23 - QE TYR 4 far 0 98 0 - 8.1-12.3 Violated in 0 structures by 0.00 A. Peak 14591 from cnoeabs.peaks (2.06, 6.45, 118.20 ppm; 5.63 A): 3 out of 5 assignments used, quality = 1.00: HG2 GLU 28 + QE TYR 4 OK 99 100 100 99 3.1-6.0 3.0/8653=46, 3.0/8652=44...(17) HG3 GLU 28 + QE TYR 4 OK 99 100 100 99 3.2-5.2 3.0/8653=46, 3.0/8652=44...(17) HB3 GLU 48 + QE TYR 4 OK 80 95 90 93 4.7-7.8 1.8/8130=41, 3.0/8129=33...(14) HB3 GLU 43 - QE TYR 4 far 0 100 0 - 9.6-10.7 HB2 GLU 23 - QE TYR 4 far 0 88 0 - 9.7-11.6 Violated in 0 structures by 0.00 A. Peak 14592 from cnoeabs.peaks (1.70, 6.45, 118.20 ppm; 4.64 A): 2 out of 5 assignments used, quality = 1.00: HB2 LEU 2 + QE TYR 4 OK 99 99 100 100 2.3-4.8 8039=74, 1.8/8040=46...(26) HB ILE 52 + QE TYR 4 OK 85 85 100 100 2.2-4.8 2.1/9143=52, 3.0/8156=44...(29) HB3 LYS 53 - QE TYR 4 far 0 98 0 - 6.2-7.7 HD3 LYS 47 - QE TYR 4 far 0 96 0 - 7.4-11.3 HD2 LYS 47 - QE TYR 4 far 0 96 0 - 8.2-11.8 Violated in 0 structures by 0.00 A. Peak 14593 from cnoeabs.peaks (1.53, 6.45, 118.20 ppm; 5.40 A): 4 out of 7 assignments used, quality = 1.00: HG LEU 2 + QE TYR 4 OK 94 94 100 100 2.3-4.8 3.0/8039=66, 2.1/8042=53...(28) HB2 LEU 3 + QE TYR 4 OK 82 90 95 96 6.0-6.9 4.4/8126=49, 3.0/8062=34...(15) HB3 GLU 28 + QE TYR 4 OK 74 75 100 100 3.2-4.8 1.8/8652=46, ~8652=42...(20) HG3 ARG 30 + QE TYR 4 OK 57 100 65 88 6.0-7.9 1.8/8702=39, ~8702=34...(10) HG LEU 6 - QE TYR 4 far 0 99 0 - 7.8-9.1 HD3 LYS 53 - QE TYR 4 far 0 91 0 - 8.1-9.4 HG12 ILE 56 - QE TYR 4 far 0 100 0 - 9.7-11.4 Violated in 0 structures by 0.00 A. Peak 14594 from cnoeabs.peaks (1.32, 6.45, 118.20 ppm; 5.15 A): 4 out of 6 assignments used, quality = 1.00: HB3 LEU 2 + QE TYR 4 OK 99 99 100 100 2.1-5.5 1.8/8039=72, 8040=50...(26) HG2 ARG 30 + QE TYR 4 OK 61 75 95 87 5.7-7.2 8702=30, 8702/2.2=27...(15) HB3 LEU 27 + QE TYR 4 OK 51 92 100 55 5.9-6.6 6450/8649=26...(6) HG LEU 3 + QE TYR 4 OK 50 83 70 86 6.1-7.1 123/8126=31, 3.7/8062=28...(14) HB3 LEU 42 - QE TYR 4 far 0 89 0 - 7.5-9.6 QB ALA 25 - QE TYR 4 far 0 96 0 - 8.7-9.5 Violated in 0 structures by 0.00 A. Peak 14595 from cnoeabs.peaks (1.04, 6.45, 118.20 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HG12 ILE 52 + QE TYR 4 OK 100 100 100 100 2.3-6.1 8051/8039=64...(25) HB3 LEU 55 - QE TYR 4 far 0 95 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 14596 from cnoeabs.peaks (0.77, 6.45, 118.20 ppm; 4.12 A): 3 out of 11 assignments used, quality = 1.00: QG2 ILE 52 + QE TYR 4 OK 99 99 100 100 2.1-4.4 9143=53, 9143/2.2=39...(31) QG1 VAL 54 + QE TYR 4 OK 80 99 85 96 4.5-5.8 2.1/9224=38, 9245/4.4=37...(20) QD2 LEU 2 + QE TYR 4 OK 60 61 100 99 1.8-4.5 3.1/8039=43, 2.1/8042=41...(27) QD1 LEU 6 - QE TYR 4 far 5 100 5 - 5.4-8.3 QD2 LEU 42 - QE TYR 4 far 0 100 0 - 6.3-8.1 QD1 ILE 76 - QE TYR 4 far 0 76 0 - 6.3-8.1 QG1 VAL 78 - QE TYR 4 far 0 85 0 - 6.6-7.9 QD1 LEU 27 - QE TYR 4 far 0 100 0 - 6.7-7.6 QG2 ILE 93 - QE TYR 4 far 0 91 0 - 8.8-9.7 QD2 LEU 57 - QE TYR 4 far 0 85 0 - 9.8-10.9 QD1 ILE 93 - QE TYR 4 far 0 100 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 14597 from cnoeabs.peaks (0.68, 6.45, 118.20 ppm; 4.42 A): 3 out of 9 assignments used, quality = 1.00: QD1 ILE 52 + QE TYR 4 OK 97 97 100 100 2.0-3.9 9148=48, 3.1/9143=43...(32) QG2 VAL 54 + QE TYR 4 OK 80 82 100 99 3.5-4.7 9239/4.4=40, 9224=38...(23) QD2 LEU 6 + QE TYR 4 OK 33 100 35 96 5.8-6.7 8209/2.2=80, ~8213=37...(16) QD1 ILE 56 - QE TYR 4 far 0 83 0 - 7.6-9.4 QD2 LEU 29 - QE TYR 4 far 0 59 0 - 7.6-9.7 QD1 LEU 29 - QE TYR 4 far 0 80 0 - 8.0-9.4 QD1 LEU 42 - QE TYR 4 far 0 99 0 - 8.4-10.0 QG2 VAL 78 - QE TYR 4 far 0 57 0 - 8.5-9.7 HG13 ILE 56 - QE TYR 4 far 0 71 0 - 9.7-11.9 Violated in 0 structures by 0.00 A. Peak 14598 from cnoeabs.peaks (0.88, 6.45, 118.20 ppm; 5.40 A): 2 out of 3 assignments used, quality = 1.00: QD1 LEU 2 + QE TYR 4 OK 100 100 100 100 1.9-4.3 3.1/8039=64, 8042=54...(26) QG2 ILE 76 + QE TYR 4 OK 85 100 100 86 5.2-6.7 11070/9224=43...(12) QD1 LEU 38 - QE TYR 4 far 0 90 0 - 9.3-11.4 Violated in 0 structures by 0.00 A. Peak 14599 from cnoeabs.peaks (0.87, 6.43, 132.25 ppm; 5.89 A): 2 out of 4 assignments used, quality = 0.99: QD1 LEU 2 + QD TYR 4 OK 96 96 100 100 3.8-5.6 8042/2.2=51, ~8039=51...(31) QG2 ILE 76 + QD TYR 4 OK 84 96 100 88 4.7-6.0 11070/9224=43...(13) QG2 VAL 32 - QD TYR 4 far 0 65 0 - 7.9-8.7 QD1 LEU 38 - QD TYR 4 far 0 100 0 - 8.0-10.3 Violated in 0 structures by 0.00 A. Peak 14600 from cnoeabs.peaks (7.64, 6.83, 131.89 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.98: H LYS 40 + QD TYR 41 OK 98 98 100 100 3.9-4.9 6644/4.6=93, 6638/4.6=81...(30) Violated in 0 structures by 0.00 A. Peak 14601 from cnoeabs.peaks (7.82, 6.83, 131.89 ppm; 5.05 A): 2 out of 4 assignments used, quality = 1.00: H TYR 41 + QD TYR 41 OK 100 100 100 100 1.8-2.9 4.6=100 HE ARG 30 + QD TYR 41 OK 66 67 100 99 2.6-5.6 2.9/8709=42, 2.9/8710=37...(17) H SER 9 - QD TYR 41 far 0 97 0 - 9.1-10.3 H GLU 28 - QD TYR 41 far 0 83 0 - 9.2-10.0 Violated in 0 structures by 0.00 A. Peak 14602 from cnoeabs.peaks (3.85, 6.83, 131.89 ppm; 4.46 A): 2 out of 6 assignments used, quality = 1.00: HA LYS 40 + QD TYR 41 OK 97 99 100 99 4.3-5.4 3.6/6657=37, 4.8/1876=33...(24) HA LEU 38 + QD TYR 41 OK 92 93 100 100 2.0-4.6 1624/2.5=62, 1625/2.5=62...(25) HA ALA 67 - QD TYR 41 far 0 100 0 - 7.2-9.2 HA GLU 35 - QD TYR 41 far 0 73 0 - 7.7-8.8 HA GLU 43 - QD TYR 41 far 0 80 0 - 7.8-8.2 HA ALA 71 - QD TYR 41 far 0 99 0 - 8.7-10.1 Violated in 0 structures by 0.00 A. Peak 14603 from cnoeabs.peaks (4.41, 6.83, 131.89 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 32 + QD TYR 41 OK 100 100 100 100 4.1-5.2 8896/2.2=99, ~8910=82...(26) Violated in 0 structures by 0.00 A. Peak 14605 from cnoeabs.peaks (6.49, 6.83, 131.89 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.86: QE PHE 45 + QD TYR 41 OK 86 86 100 100 4.4-5.5 2.2/14606=81, ~8890=77...(15) QE TYR 4 - QD TYR 41 poor 15 61 25 - 7.4-8.7 Violated in 0 structures by 0.00 A. Peak 14606 from cnoeabs.peaks (6.12, 6.83, 131.89 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.93: HZ PHE 45 + QD TYR 41 OK 93 93 100 100 3.7-5.7 2.2/14605=81...(15) Violated in 0 structures by 0.00 A. Peak 14607 from cnoeabs.peaks (7.82, 6.86, 118.20 ppm; 6.48 A): 2 out of 3 assignments used, quality = 1.00: H TYR 41 + QE TYR 41 OK 99 99 100 100 4.0-4.4 6.6=96, 6656/4.4=95...(32) HE ARG 30 + QE TYR 41 OK 84 84 100 100 3.0-6.0 2.9/8897=78, 5.0/8906=68...(17) H SER 9 - QE TYR 41 far 0 100 0 - 8.0-9.5 Violated in 0 structures by 0.00 A. Peak 14608 from cnoeabs.peaks (4.55, 6.86, 118.20 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.67: HA LYS 33 + QE TYR 41 OK 67 98 80 85 6.1-8.2 3.0/8743=49...(5) HA PHE 45 - QE TYR 41 far 0 84 0 - 9.8-11.4 Violated in 17 structures by 0.90 A. Peak 14609 from cnoeabs.peaks (4.41, 6.86, 118.20 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: HA VAL 32 + QE TYR 41 OK 100 100 100 100 1.9-4.4 3.2/8910=91...(22) Violated in 0 structures by 0.00 A. Peak 14610 from cnoeabs.peaks (3.90, 6.86, 118.20 ppm; 5.14 A): 3 out of 7 assignments used, quality = 0.99: HA TYR 41 + QE TYR 41 OK 83 84 100 99 4.4-4.6 5.7=75, 1876/2.2=47...(16) HA LEU 38 + QE TYR 41 OK 81 82 100 99 3.2-5.8 10162/8910=53...(20) HA LYS 40 + QE TYR 41 OK 64 65 100 97 5.9-6.6 ~14600=35, 3.6/6657=29...(19) HA GLU 35 - QE TYR 41 far 0 97 0 - 7.3-9.0 HA GLU 44 - QE TYR 41 far 0 65 0 - 8.9-10.0 HA GLU 43 - QE TYR 41 far 0 94 0 - 9.8-10.2 HA GLU 63 - QE TYR 41 far 0 97 0 - 9.8-12.5 Violated in 0 structures by 0.00 A. Peak 14611 from cnoeabs.peaks (2.08, 6.83, 131.89 ppm; 6.43 A): 3 out of 7 assignments used, quality = 1.00: HB3 LEU 38 + QD TYR 41 OK 98 98 100 100 3.9-6.7 ~1890=74, ~1624=73...(33) HG3 GLU 37 + QD TYR 41 OK 85 85 100 100 4.9-7.0 8815/2.2=60...(28) HB3 GLU 43 + QD TYR 41 OK 72 91 95 83 5.9-8.1 6707/8984=76...(5) HG2 GLU 28 - QD TYR 41 far 0 90 0 - 8.9-10.2 HB3 GLU 35 - QD TYR 41 far 0 100 0 - 9.5-10.3 HB2 MET 74 - QD TYR 41 far 0 89 0 - 9.6-10.7 HG3 GLU 28 - QD TYR 41 far 0 90 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 14612 from cnoeabs.peaks (1.98, 6.83, 131.89 ppm; 5.47 A): 5 out of 10 assignments used, quality = 1.00: HB2 GLU 37 + QD TYR 41 OK 100 100 100 100 3.5-5.1 8836/14619=57...(24) HB2 GLU 44 + QD TYR 41 OK 82 89 95 97 4.9-7.0 8988=70, 3.9/8984=60...(10) HB VAL 32 + QD TYR 41 OK 61 61 100 100 5.3-6.3 ~8910=77, 2.1/14619=74...(28) HB3 GLU 44 + QD TYR 41 OK 47 89 55 96 5.0-7.4 1.8/8988=79, 3.9/8984=60...(8) QE MET 74 + QD TYR 41 OK 25 88 35 82 6.7-7.6 9587/4.6=41, 8881/4.6=24...(12) HB3 ARG 46 - QD TYR 41 far 0 93 0 - 9.1-11.6 HB2 ARG 46 - QD TYR 41 far 0 100 0 - 9.3-11.7 HB3 MET 74 - QD TYR 41 far 0 95 0 - 9.3-10.9 HB2 GLU 35 - QD TYR 41 far 0 78 0 - 9.6-10.8 HB2 LYS 47 - QD TYR 41 far 0 99 0 - 9.9-13.2 Violated in 0 structures by 0.00 A. Peak 14613 from cnoeabs.peaks (1.64, 6.83, 131.89 ppm; 6.50 A): 3 out of 7 assignments used, quality = 1.00: HB2 LYS 40 + QD TYR 41 OK 99 99 100 100 3.8-5.2 1793/4.6=88...(31) HB3 LEU 6 + QD TYR 41 OK 98 98 100 100 4.8-6.0 ~8911=59, 3.1/8210=57...(23) HB2 ARG 30 + QD TYR 41 OK 71 71 100 100 2.0-4.0 1.8/8700=51, 3.6/8709=50...(22) HD2 LYS 39 - QD TYR 41 poor 18 94 30 63 5.9-9.3 6625/14600=19...(11) HD3 LYS 39 - QD TYR 41 far 5 100 5 - 6.8-9.2 HB3 LEU 29 - QD TYR 41 far 0 57 0 - 8.3-9.7 HB ILE 76 - QD TYR 41 far 0 99 0 - 9.7-10.6 Violated in 0 structures by 0.00 A. Peak 14614 from cnoeabs.peaks (1.45, 6.83, 131.89 ppm; 6.50 A): 5 out of 9 assignments used, quality = 1.00: HB2 LEU 38 + QD TYR 41 OK 99 99 100 100 4.2-6.6 ~1890=75, ~1624=74...(35) HG LEU 38 + QD TYR 41 OK 98 98 100 100 4.8-7.6 ~10549=68, ~10548=63...(28) HD2 LYS 40 + QD TYR 41 OK 94 94 100 100 1.9-6.0 3.0/8865=53...(25) HD3 LYS 40 + QD TYR 41 OK 93 94 100 100 2.8-5.4 3.0/8865=53...(26) HG3 LYS 39 + QD TYR 41 OK 91 100 100 92 6.3-7.9 8913/4.6=49...(16) HG LEU 29 - QD TYR 41 poor 15 98 55 29 6.7-9.8 ~14628=14, 2.1/8879=7...(6) QB ALA 71 - QD TYR 41 poor 13 63 20 - 7.4-9.0 QB ALA 22 - QD TYR 41 far 0 98 0 - 8.5-9.3 HG12 ILE 7 - QD TYR 41 far 0 88 0 - 9.3-10.4 Violated in 0 structures by 0.00 A. Peak 14615 from cnoeabs.peaks (1.34, 6.83, 131.89 ppm; 6.50 A): 6 out of 7 assignments used, quality = 1.00: HG3 LYS 40 + QD TYR 41 OK 94 94 100 100 2.9-4.8 1827/4.6=67...(24) HG12 ILE 8 + QD TYR 41 OK 80 90 100 89 6.4-7.8 10336/14619=41...(13) HB3 ARG 30 + QD TYR 41 OK 78 78 100 100 2.1-4.1 ~8906=79, ~14624=77...(24) HG2 LYS 39 + QD TYR 41 OK 74 100 80 92 5.7-8.8 1712/14600=52...(11) QB ALA 67 + QD TYR 41 OK 69 100 100 69 5.3-7.4 10336/14619=31...(12) HB3 LEU 42 + QD TYR 41 OK 58 59 100 99 6.9-7.3 6674/4.6=55...(17) HB2 LEU 70 - QD TYR 41 far 0 82 0 - 8.3-9.1 Violated in 0 structures by 0.00 A. Peak 14616 from cnoeabs.peaks (1.15, 6.83, 131.89 ppm; 6.50 A): 4 out of 5 assignments used, quality = 1.00: HG2 LYS 40 + QD TYR 41 OK 100 100 100 100 3.0-4.8 10585/3.7=84...(29) HB2 LEU 6 + QD TYR 41 OK 82 82 100 100 3.6-5.3 ~8911=59, 3.1/8210=57...(23) QG2 THR 34 + QD TYR 41 OK 68 89 90 84 7.1-8.1 8943/14619=37...(8) QG2 THR 31 + QD TYR 41 OK 25 98 100 26 5.8-6.7 10337/14617=14...(5) HB2 LEU 29 - QD TYR 41 far 0 99 0 - 8.4-9.6 Violated in 0 structures by 0.00 A. Peak 14617 from cnoeabs.peaks (0.81, 6.83, 131.89 ppm; 4.21 A): 2 out of 12 assignments used, quality = 0.98: QG2 VAL 32 + QD TYR 41 OK 95 95 100 100 2.4-3.5 8910/2.2=74, 10152=49...(31) QD2 LEU 38 + QD TYR 41 OK 62 99 65 96 4.4-6.4 3.8/8860=32...(29) QG2 ILE 7 - QD TYR 41 far 0 94 0 - 6.1-6.9 QD1 LEU 70 - QD TYR 41 far 0 100 0 - 6.4-8.7 QD2 LEU 70 - QD TYR 41 far 0 99 0 - 6.5-9.7 QG2 ILE 8 - QD TYR 41 far 0 78 0 - 6.7-8.1 QD1 ILE 76 - QD TYR 41 far 0 96 0 - 7.1-7.5 QG2 ILE 15 - QD TYR 41 far 0 100 0 - 7.6-8.5 QD2 LEU 57 - QD TYR 41 far 0 91 0 - 8.1-9.2 QG2 ILE 52 - QD TYR 41 far 0 63 0 - 9.2-11.3 QD2 LEU 2 - QD TYR 41 far 0 99 0 - 9.6-13.0 QD1 LEU 57 - QD TYR 41 far 0 98 0 - 10.0-11.0 Violated in 0 structures by 0.00 A. Peak 14618 from cnoeabs.peaks (0.69, 6.83, 131.89 ppm; 4.75 A): 4 out of 13 assignments used, quality = 1.00: QD2 LEU 6 + QD TYR 41 OK 100 100 100 100 1.9-3.5 8911/2.2=58, 8207=54...(27) QD1 LEU 42 + QD TYR 41 OK 99 100 100 99 4.8-6.2 6676/4.6=61, 8874/2.5=37...(25) QD1 ILE 8 + QD TYR 41 OK 35 94 50 74 5.4-6.8 8942/14619=16...(21) QD1 ILE 56 + QD TYR 41 OK 25 96 65 40 4.8-7.9 230/8210=11, 8877/2.5=7...(12) HG13 ILE 56 - QD TYR 41 poor 18 89 20 - 5.4-8.9 QD1 LEU 29 - QD TYR 41 poor 14 59 65 38 5.7-7.6 14628/2.2=11...(7) QG2 VAL 54 - QD TYR 41 far 0 61 0 - 6.5-8.2 QG1 VAL 5 - QD TYR 41 far 0 69 0 - 7.0-8.0 QG1 VAL 58 - QD TYR 41 far 0 80 0 - 7.4-8.9 QG2 VAL 78 - QD TYR 41 far 0 78 0 - 7.7-9.2 QD1 ILE 52 - QD TYR 41 far 0 100 0 - 8.4-9.4 QD2 LEU 14 - QD TYR 41 far 0 95 0 - 9.6-10.4 QG2 VAL 58 - QD TYR 41 far 0 94 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 14619 from cnoeabs.peaks (0.91, 6.83, 131.89 ppm; 4.94 A): 1 out of 5 assignments used, quality = 1.00: QG1 VAL 32 + QD TYR 41 OK 100 100 100 100 3.1-4.4 ~8910=66, 14629/2.2=63...(42) HG13 ILE 8 - QD TYR 41 poor 19 85 30 73 5.8-7.9 1410/10152=22...(14) QG2 ILE 76 - QD TYR 41 far 0 78 0 - 8.0-8.7 QG2 VAL 5 - QD TYR 41 far 0 67 0 - 8.1-9.1 HG13 ILE 7 - QD TYR 41 far 0 93 0 - 9.6-10.3 Violated in 0 structures by 0.00 A. Peak 14620 from cnoeabs.peaks (2.64, 6.86, 118.20 ppm; 5.43 A): 2 out of 3 assignments used, quality = 1.00: HB3 TYR 41 + QE TYR 41 OK 100 100 100 100 4.4-4.5 4.4=100 HD2 ARG 30 + QE TYR 41 OK 77 77 100 100 2.4-5.4 1.8/8897=63, 3.6/8906=62...(18) HG3 MET 74 - QE TYR 41 far 0 92 0 - 9.7-12.4 Violated in 0 structures by 0.00 A. Peak 14621 from cnoeabs.peaks (2.28, 6.86, 118.20 ppm; 6.50 A): 2 out of 3 assignments used, quality = 0.97: HG2 GLU 37 + QE TYR 41 OK 92 92 100 100 3.7-5.9 1.8/8815=75...(22) HB2 TYR 41 + QE TYR 41 OK 65 65 100 100 4.4-4.5 4.4=100 HB2 TYR 4 - QE TYR 41 far 0 97 0 - 9.5-10.7 Violated in 0 structures by 0.00 A. Peak 14622 from cnoeabs.peaks (2.09, 6.86, 118.20 ppm; 5.31 A): 3 out of 6 assignments used, quality = 0.98: HG3 GLU 37 + QE TYR 41 OK 92 92 100 100 4.6-6.3 8815=67, 1.8/8813=49...(21) HB3 GLU 37 + QE TYR 41 OK 65 65 100 100 2.1-4.9 3.0/8815=62, 1.8/8905=51...(23) HB3 LEU 38 + QE TYR 41 OK 37 95 40 99 4.3-8.1 10155/8910=40, ~8860=37...(20) HB3 GLU 43 - QE TYR 41 far 0 85 0 - 7.7-10.0 HB3 GLU 35 - QE TYR 41 far 0 99 0 - 9.3-10.7 HG2 GLU 28 - QE TYR 41 far 0 84 0 - 9.5-11.2 Violated in 0 structures by 0.00 A. Peak 14623 from cnoeabs.peaks (1.97, 6.86, 118.20 ppm; 6.49 A): 4 out of 6 assignments used, quality = 1.00: HB2 GLU 37 + QE TYR 41 OK 99 99 100 100 2.6-4.1 3.0/8815=73...(20) HB VAL 32 + QE TYR 41 OK 79 79 100 100 4.2-6.4 2.1/8910=100...(23) HB2 GLU 44 + QE TYR 41 OK 56 75 85 88 6.6-9.0 8988/2.2=55, 1881/5.7=32...(9) HB3 GLU 44 + QE TYR 41 OK 24 75 35 91 7.1-9.2 ~8988=74, ~14612=21...(9) QE MET 74 - QE TYR 41 far 4 73 5 - 7.9-9.0 HB2 GLU 35 - QE TYR 41 far 0 61 0 - 9.4-11.0 Violated in 0 structures by 0.00 A. Peak 14624 from cnoeabs.peaks (1.59, 6.86, 118.20 ppm; 5.65 A): 1 out of 4 assignments used, quality = 0.97: HB2 ARG 30 + QE TYR 41 OK 97 97 100 100 1.9-4.3 6493/8740=58...(19) HG2 ARG 19 - QE TYR 41 far 0 100 0 - 7.9-11.4 HB3 GLU 28 - QE TYR 41 far 0 82 0 - 8.1-9.2 HB3 LEU 29 - QE TYR 41 far 0 100 0 - 8.6-10.6 Violated in 0 structures by 0.00 A. Peak 14625 from cnoeabs.peaks (1.48, 6.86, 118.20 ppm; 6.50 A): 5 out of 6 assignments used, quality = 1.00: HD3 LYS 40 + QE TYR 41 OK 93 93 100 100 3.9-5.6 ~8865=41, 3.0/8900=40...(23) HD2 LYS 40 + QE TYR 41 OK 92 92 100 100 2.5-6.7 ~8865=41, 3.0/8900=40...(21) HG3 LYS 33 + QE TYR 41 OK 88 92 100 96 4.2-6.2 3.9/14608=67...(9) HB2 LEU 38 + QE TYR 41 OK 78 79 100 100 5.4-7.7 ~8860=51, ~12065=42...(21) HG LEU 38 + QE TYR 41 OK 34 85 40 99 5.5-8.7 ~12065=49, ~8878=41...(21) HB ILE 7 - QE TYR 41 poor 12 61 90 22 7.1-9.0 10159/8910=10...(4) Violated in 0 structures by 0.00 A. Peak 14626 from cnoeabs.peaks (1.34, 6.86, 118.20 ppm; 6.50 A): 5 out of 7 assignments used, quality = 1.00: HG3 LYS 40 + QE TYR 41 OK 89 89 100 100 3.4-5.6 ~8865=48, 1827/6.6=46...(20) HB3 ARG 30 + QE TYR 41 OK 69 69 100 100 2.0-5.1 1.8/8906=97, 3.6/8897=72...(20) HG12 ILE 8 + QE TYR 41 OK 61 84 85 86 6.4-8.4 10336/14629=40...(11) HG2 LYS 39 + QE TYR 41 OK 49 99 70 71 7.0-10.4 1712/8961=29...(8) QB ALA 67 + QE TYR 41 OK 43 100 65 67 6.1-8.4 10336/14629=30...(9) HB3 LEU 42 - QE TYR 41 far 0 69 0 - 8.8-9.5 HB2 LEU 70 - QE TYR 41 far 0 73 0 - 9.2-10.7 Violated in 0 structures by 0.00 A. Peak 14627 from cnoeabs.peaks (0.83, 6.86, 118.20 ppm; 4.11 A): 2 out of 9 assignments used, quality = 0.99: QG2 VAL 32 + QE TYR 41 OK 99 100 100 99 1.9-4.1 3.2/8896=46...(27) QD1 LEU 38 + QE TYR 41 OK 23 73 35 89 5.3-7.0 12065/2.2=20...(22) QD2 LEU 38 - QE TYR 41 far 15 100 15 - 5.3-7.0 QG2 ILE 7 - QE TYR 41 far 0 77 0 - 5.6-6.7 QG2 ILE 15 - QE TYR 41 far 0 93 0 - 6.7-7.7 QD1 LEU 70 - QE TYR 41 far 0 97 0 - 7.4-9.7 QD2 LEU 70 - QE TYR 41 far 0 91 0 - 7.5-10.5 QD1 ILE 76 - QE TYR 41 far 0 80 0 - 8.7-9.3 QD2 LEU 57 - QE TYR 41 far 0 71 0 - 8.9-10.2 Violated in 0 structures by 0.00 A. Peak 14628 from cnoeabs.peaks (0.69, 6.86, 118.20 ppm; 5.26 A): 3 out of 12 assignments used, quality = 1.00: QD2 LEU 6 + QE TYR 41 OK 100 100 100 100 3.6-4.9 8207/2.2=54, ~8210=40...(21) QD1 ILE 8 + QE TYR 41 OK 31 93 45 75 5.1-7.4 8942/14629=20...(15) QD1 LEU 29 + QE TYR 41 OK 30 63 85 56 5.8-7.6 8717/8906=18...(8) QD1 LEU 42 - QE TYR 41 poor 20 100 20 - 6.2-7.8 QD1 ILE 56 - QE TYR 41 poor 8 95 25 35 6.0-9.4 14618/2.2=8, 230/8210=6...(10) HG13 ILE 56 - QE TYR 41 far 4 87 5 - 6.6-10.6 QG1 VAL 58 - QE TYR 41 far 0 77 0 - 7.3-9.6 QG1 VAL 5 - QE TYR 41 far 0 65 0 - 7.8-8.9 QG2 VAL 54 - QE TYR 41 far 0 65 0 - 8.3-9.9 QG2 VAL 78 - QE TYR 41 far 0 75 0 - 9.1-10.9 QD2 LEU 14 - QE TYR 41 far 0 94 0 - 9.3-10.2 QG2 VAL 58 - QE TYR 41 far 0 96 0 - 9.7-11.8 Violated in 0 structures by 0.00 A. Peak 14629 from cnoeabs.peaks (0.91, 6.86, 118.20 ppm; 4.83 A): 2 out of 5 assignments used, quality = 1.00: QG1 VAL 32 + QE TYR 41 OK 100 100 100 100 2.2-4.6 2.1/8910=93, 3.2/8896=63...(35) HG13 ILE 8 + QE TYR 41 OK 23 92 30 82 5.1-8.4 1410/8910=39...(14) QG2 VAL 5 - QE TYR 41 far 0 57 0 - 9.2-10.3 HG13 ILE 7 - QE TYR 41 far 0 97 0 - 9.3-10.5 QG2 ILE 76 - QE TYR 41 far 0 87 0 - 9.8-10.5 Violated in 0 structures by 0.00 A. Peak 14630 from cnoeabs.peaks (3.90, 6.87, 127.01 ppm; 5.12 A): 2 out of 5 assignments used, quality = 1.00: HA ALA 89 + HD1 TRP 92 OK 100 100 100 100 5.3-5.9 9935=100, 9824/9796=89...(19) HA ARG 91 + HD1 TRP 92 OK 94 98 100 95 4.2-4.9 3.6/7466=77...(8) HB2 SER 85 - HD1 TRP 92 far 0 100 0 - 8.1-9.1 HA LYS 94 - HD1 TRP 92 far 0 71 0 - 8.2-8.6 HB2 SER 102 - HD1 TRP 92 far 0 100 0 - 8.9-19.6 Violated in 0 structures by 0.00 A. Peak 14631 from cnoeabs.peaks (2.10, 6.87, 127.01 ppm; 5.65 A): 3 out of 6 assignments used, quality = 0.95: HB3 GLU 88 + HD1 TRP 92 OK 82 82 100 100 5.5-6.2 1.8/12224=81, ~9974=73...(18) HG2 GLU 88 + HD1 TRP 92 OK 63 63 100 100 3.8-6.0 3.0/12224=70...(13) HB VAL 83 + HD1 TRP 92 OK 25 99 25 100 6.9-7.8 2.1/9796=100, 9777=86...(14) QE MET 21 - HD1 TRP 92 poor 13 100 25 51 6.8-7.8 8539/10981=41...(6) HG3 GLU 104 - HD1 TRP 92 lone 1 100 35 2 2.0-16.3 HB3 PRO 86 - HD1 TRP 92 far 0 100 0 - 9.4-10.1 Violated in 0 structures by 0.00 A. Peak 14632 from cnoeabs.peaks (1.81, 6.87, 127.01 ppm; 6.50 A): 4 out of 6 assignments used, quality = 1.00: HB2 GLU 88 + HD1 TRP 92 OK 100 100 100 100 4.4-5.9 12224=100, 9974/2.6=100...(16) HB2 LYS 90 + HD1 TRP 92 OK 57 100 65 88 6.6-8.4 4.1/10981=62...(8) HB ILE 93 + HD1 TRP 92 OK 57 100 100 57 6.6-7.2 10323/9936=20...(7) HB3 LYS 90 + HD1 TRP 92 OK 23 81 40 73 7.6-8.4 4.1/10981=62...(6) HB2 GLU 104 - HD1 TRP 92 lone 1 100 25 3 2.0-15.2 HB3 LEU 57 - HD1 TRP 92 far 0 94 0 - 8.8-9.7 Violated in 0 structures by 0.00 A. Peak 14633 from cnoeabs.peaks (1.47, 6.87, 127.01 ppm; 6.50 A): 3 out of 4 assignments used, quality = 1.00: HB2 ARG 91 + HD1 TRP 92 OK 96 97 100 99 2.3-3.2 4.3/7466=91...(8) HG3 ARG 91 + HD1 TRP 92 OK 84 92 100 91 4.6-5.3 4.8/10981=57...(7) HG LEU 57 + HD1 TRP 92 OK 79 79 100 100 6.6-7.5 2.1/14636=100, ~9999=79...(5) QB ALA 22 - HD1 TRP 92 far 0 63 0 - 9.5-11.0 Violated in 0 structures by 0.00 A. Peak 14634 from cnoeabs.peaks (1.32, 6.87, 127.01 ppm; 6.50 A): 3 out of 5 assignments used, quality = 0.95: QB ALA 89 + HD1 TRP 92 OK 91 91 100 100 6.1-6.6 2.1/9935=100...(10) HG2 LYS 90 + HD1 TRP 92 OK 28 75 60 62 5.9-8.6 7435/10981=45...(5) HG2 LYS 94 + HD1 TRP 92 OK 22 91 70 35 6.2-9.2 10994/7466=20...(4) HG LEU 14 - HD1 TRP 92 far 0 73 0 - 9.3-11.3 QB ALA 25 - HD1 TRP 92 far 0 91 0 - 9.6-10.6 Violated in 0 structures by 0.00 A. Peak 14635 from cnoeabs.peaks (1.00, 6.87, 127.01 ppm; 3.90 A): 1 out of 4 assignments used, quality = 0.91: QG1 VAL 83 + HD1 TRP 92 OK 91 96 95 100 4.7-5.4 9796=95, 9998/2.6=64...(19) QG2 VAL 83 - HD1 TRP 92 far 0 73 0 - 6.6-7.6 HG LEU 55 - HD1 TRP 92 far 0 75 0 - 8.2-9.3 HB3 LEU 55 - HD1 TRP 92 far 0 73 0 - 9.1-10.5 Violated in 20 structures by 0.96 A. Peak 14636 from cnoeabs.peaks (0.81, 6.87, 127.01 ppm; 4.59 A): 1 out of 5 assignments used, quality = 0.91: QD1 LEU 57 + HD1 TRP 92 OK 91 91 100 100 4.7-5.7 9342=83, 9999/2.6=64...(19) QD2 LEU 103 - HD1 TRP 92 far 14 92 15 - 5.1-14.3 QD2 LEU 57 - HD1 TRP 92 far 0 98 0 - 6.2-7.3 QD1 ILE 93 - HD1 TRP 92 far 0 63 0 - 6.6-7.0 QD1 LEU 27 - HD1 TRP 92 far 0 61 0 - 9.1-10.0 Violated in 20 structures by 0.52 A. Peak 14637 from cnoeabs.peaks (0.42, 6.87, 127.01 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.98: QD1 LEU 55 + HD1 TRP 92 OK 97 98 100 99 5.8-6.9 9255/3.9=89, 9276/5.1=68...(6) HG2 ARG 81 + HD1 TRP 92 OK 25 100 25 100 6.0-8.8 10000/2.6=91, ~10001=70...(6) Violated in 0 structures by 0.00 A. Peak 14638 from cnoeabs.peaks (4.80, 7.43, 120.39 ppm; 4.37 A): 2 out of 2 assignments used, quality = 0.83: HA TRP 92 + HE3 TRP 92 OK 78 92 100 85 4.9-5.1 4.8=74, 2.9/7467=27...(5) HA VAL 83 + HE3 TRP 92 OK 25 100 25 99 5.4-6.2 14659/2.5=52...(15) Violated in 20 structures by 0.39 A. Peak 14639 from cnoeabs.peaks (3.17, 7.43, 120.39 ppm; 5.91 A): 1 out of 2 assignments used, quality = 0.85: HB3 TRP 92 + HE3 TRP 92 OK 85 85 100 100 2.7-3.2 4.2=100 HB2 HIS 106 - HE3 TRP 92 far 10 97 10 - 6.9-19.0 Violated in 0 structures by 0.00 A. Peak 14640 from cnoeabs.peaks (3.08, 7.43, 120.39 ppm; 5.94 A): 1 out of 6 assignments used, quality = 0.95: HB2 TRP 92 + HE3 TRP 92 OK 95 95 100 100 2.7-3.2 4.2=100 HB3 HIS 106 - HE3 TRP 92 far 8 77 10 - 6.1-18.8 HD2 ARG 79 - HE3 TRP 92 poor 7 98 30 25 6.2-10.3 9696/9276=17...(4) HD3 ARG 79 - HE3 TRP 92 poor 6 99 25 26 5.0-9.9 9696/9276=17...(4) HB2 PHE 96 - HE3 TRP 92 far 5 96 5 - 7.4-8.3 HB3 HIS 105 - HE3 TRP 92 far 5 93 5 - 5.5-17.2 Violated in 0 structures by 0.00 A. Peak 14641 from cnoeabs.peaks (2.16, 7.43, 120.39 ppm; 5.98 A): 1 out of 3 assignments used, quality = 0.67: HG2 GLU 88 + HE3 TRP 92 OK 67 90 80 93 4.2-7.7 3.0/3878=43, 3.0/3885=39...(9) HB3 GLU 95 - HE3 TRP 92 far 15 100 15 - 7.4-9.6 HG2 GLU 104 - HE3 TRP 92 far 14 96 15 - 5.6-14.1 Violated in 18 structures by 1.29 A. Peak 14642 from cnoeabs.peaks (0.98, 7.43, 120.39 ppm; 6.10 A): 5 out of 5 assignments used, quality = 1.00: QG2 VAL 83 + HE3 TRP 92 OK 93 93 100 100 4.4-4.7 9781/2.5=85, ~9776=70...(25) HG LEU 55 + HE3 TRP 92 OK 91 94 100 97 4.3-5.7 2.1/9276=90...(8) QG1 VAL 83 + HE3 TRP 92 OK 81 81 100 100 2.7-3.0 9995/5.1=75, ~9781=73...(25) QG2 THR 80 + HE3 TRP 92 OK 23 100 45 51 6.9-8.2 10917/9276=43...(4) QG2 VAL 5 + HE3 TRP 92 OK 22 65 65 52 6.9-8.7 8197/9276=30...(4) Violated in 0 structures by 0.00 A. Peak 14643 from cnoeabs.peaks (0.81, 7.43, 120.39 ppm; 5.08 A): 2 out of 5 assignments used, quality = 1.00: QD1 LEU 57 + HE3 TRP 92 OK 97 97 100 100 1.8-2.3 9357/4.2=64, 9358/4.2=63...(20) QD2 LEU 57 + HE3 TRP 92 OK 91 94 100 97 3.1-4.7 9343=42, 2.1/9341=41...(14) QD2 LEU 103 - HE3 TRP 92 lone 6 98 50 12 3.2-14.7 9272/9276=3...(6) QG2 ILE 7 - HE3 TRP 92 far 0 96 0 - 8.7-10.1 QG2 ILE 8 - HE3 TRP 92 far 0 82 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 14644 from cnoeabs.peaks (0.44, 7.43, 120.39 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 55 + HE3 TRP 92 OK 100 100 100 100 2.9-3.9 9276=97, 9255/4.2=88...(14) HG2 ARG 81 + HE3 TRP 92 OK 96 99 100 97 2.6-5.0 12215/4.2=65...(12) Violated in 0 structures by 0.00 A. Peak 14645 from cnoeabs.peaks (8.13, 6.87, 127.01 ppm; 5.26 A): 1 out of 3 assignments used, quality = 1.00: H TRP 92 + HD1 TRP 92 OK 100 100 100 100 2.4-2.9 7466=100, 7464/3.9=85...(15) H HIS 106 - HD1 TRP 92 far 9 87 10 - 6.3-18.5 H ASP 87 - HD1 TRP 92 far 0 100 0 - 7.6-8.4 Violated in 0 structures by 0.00 A. Peak 14646 from cnoeabs.peaks (5.12, 7.06, 130.85 ppm; 6.50 A): 4 out of 4 assignments used, quality = 1.00: HA LEU 3 + HZ PHE 96 OK 98 98 100 100 3.1-5.6 8061/2.2=88, ~8068=77...(19) HA VAL 5 + HZ PHE 96 OK 94 95 100 99 4.5-6.2 ~8170=82, 8164/9292=55...(14) HA TYR 4 + HZ PHE 96 OK 83 85 100 98 5.1-7.2 ~8119=81, 3.0/8120=63...(10) HA VAL 54 + HZ PHE 96 OK 57 57 100 100 2.6-4.1 3.0/9219=93, ~9218=70...(15) Violated in 0 structures by 0.00 A. Peak 14647 from cnoeabs.peaks (1.84, 7.06, 130.85 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.99: HB2 LYS 53 + HZ PHE 96 OK 99 99 100 100 2.3-4.0 9206/2.2=100...(20) HB VAL 5 + HZ PHE 96 OK 46 93 50 99 6.3-8.5 ~8170=93, ~10059=41...(13) HB2 GLU 104 - HZ PHE 96 far 0 63 0 - 8.6-13.9 HB3 GLU 104 - HZ PHE 96 far 0 82 0 - 9.6-15.2 Violated in 0 structures by 0.00 A. Peak 14648 from cnoeabs.peaks (1.54, 7.06, 130.85 ppm; 6.50 A): 6 out of 9 assignments used, quality = 1.00: HD3 LYS 53 + HZ PHE 96 OK 96 96 100 100 2.8-5.5 9214/2.2=95...(20) HB2 LEU 3 + HZ PHE 96 OK 96 96 100 100 4.3-6.9 8066/2.2=97, ~8068=90...(26) HG2 ARG 79 + HZ PHE 96 OK 84 98 100 86 3.5-7.7 8705/3.8=41, ~10912=41...(9) HG3 ARG 79 + HZ PHE 96 OK 84 98 100 85 3.6-7.5 8705/3.8=41, ~10912=41...(9) HG12 ILE 56 + HZ PHE 96 OK 35 97 75 49 6.4-9.4 10659/9292=24...(8) HG LEU 6 + HZ PHE 96 OK 21 93 55 41 6.9-10.7 10659/9292=22...(7) HB3 LEU 103 - HZ PHE 96 far 14 91 15 - 7.5-12.0 HG LEU 2 - HZ PHE 96 far 12 81 15 - 6.5-11.1 HB3 GLU 28 - HZ PHE 96 far 0 87 0 - 9.7-12.2 Violated in 0 structures by 0.00 A. Peak 14649 from cnoeabs.peaks (0.25, 7.06, 130.85 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.98: QD2 LEU 3 + HZ PHE 96 OK 98 98 100 100 2.5-3.9 8072/2.2=100...(29) Violated in 0 structures by 0.00 A. Peak 14651 from cnoeabs.peaks (5.14, 6.96, 131.40 ppm; 6.50 A): 4 out of 5 assignments used, quality = 1.00: HA TYR 4 + QE PHE 96 OK 99 99 100 100 3.7-5.5 3.0/8119=99...(12) HA LEU 3 + QE PHE 96 OK 98 98 100 100 2.6-4.8 8061=98, 3.0/8068=97...(24) HA VAL 54 + QE PHE 96 OK 90 90 100 100 2.8-4.0 9220=87, 3.0/9218=86...(19) HA VAL 5 + QE PHE 96 OK 72 72 100 100 3.3-5.6 3.2/8170=97, ~8169=51...(19) HA ILE 7 - QE PHE 96 far 0 99 0 - 9.6-10.7 Violated in 0 structures by 0.00 A. Peak 14652 from cnoeabs.peaks (4.50, 6.96, 131.40 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.99: HA PHE 96 + QE PHE 96 OK 99 99 100 100 4.3-4.8 5.6=100 HA PHE 45 - QE PHE 96 far 0 95 0 - 9.6-11.1 Violated in 0 structures by 0.00 A. Peak 14653 from cnoeabs.peaks (3.48, 6.96, 131.40 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.95: HB3 PHE 96 + QE PHE 96 OK 95 95 100 100 4.4-4.5 4.4=100 Violated in 0 structures by 0.00 A. Peak 14654 from cnoeabs.peaks (3.09, 6.96, 131.40 ppm; 6.50 A): 4 out of 8 assignments used, quality = 1.00: HB2 PHE 96 + QE PHE 96 OK 99 99 100 100 4.4-4.4 4.4=100 HD3 ARG 79 + QE PHE 96 OK 91 92 100 99 3.0-6.1 1.8/10912=52, 10912=43...(19) HD2 ARG 79 + QE PHE 96 OK 89 90 100 99 2.0-5.9 1.8/10912=48, 10912=47...(21) HB2 TRP 92 + QE PHE 96 OK 25 99 30 84 6.8-9.0 9987/9285=47...(8) HB3 HIS 105 - QE PHE 96 far 8 79 10 - 7.2-15.0 HB2 HIS 105 - QE PHE 96 far 4 72 5 - 6.9-15.5 HB3 ASN 26 - QE PHE 96 far 0 83 0 - 8.0-10.2 HB3 HIS 106 - QE PHE 96 far 0 58 0 - 9.9-17.3 Violated in 0 structures by 0.00 A. Peak 14655 from cnoeabs.peaks (4.69, 7.03, 131.42 ppm; 6.50 A): 3 out of 3 assignments used, quality = 0.99: HA LEU 55 + QD PHE 96 OK 93 93 100 100 4.3-5.0 10669/2.2=90, ~9291=80...(19) HA ARG 79 + QD PHE 96 OK 69 88 95 82 5.8-8.3 4.1/8705=40, 4.1/8705=40...(4) HA LEU 27 + QD PHE 96 OK 63 63 100 100 6.4-7.6 4.0/8645=93, 4.0/8647=91...(6) Violated in 0 structures by 0.00 A. Peak 14656 from cnoeabs.peaks (8.21, 7.03, 131.42 ppm; 5.80 A): 2 out of 4 assignments used, quality = 1.00: H PHE 96 + QD PHE 96 OK 100 100 100 100 4.1-4.2 4.5=100 H SER 97 + QD PHE 96 OK 100 100 100 100 3.4-4.3 4.5=100 H GLU 104 - QD PHE 96 lone 4 100 35 11 5.2-9.5 7659/8705=3, 14657/2.2=3...(4) H LEU 27 - QD PHE 96 far 4 75 5 - 6.9-8.4 Violated in 0 structures by 0.00 A. Peak 14657 from cnoeabs.peaks (8.20, 6.96, 131.40 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: H PHE 96 + QE PHE 96 OK 96 97 100 100 6.1-6.3 6.5=100 H SER 97 + QE PHE 96 OK 94 94 100 100 5.3-6.2 7573/2.2=93, 7571/4.4=87...(11) H GLU 104 - QE PHE 96 poor 10 94 45 24 6.2-10.0 4.9/10128=9, 4.9/10127=7...(6) Violated in 0 structures by 0.00 A. Peak 14658 from cnoeabs.peaks (4.78, 7.24, 124.65 ppm; 6.38 A): 2 out of 3 assignments used, quality = 0.96: HA VAL 83 + HH2 TRP 92 OK 92 92 100 100 3.3-4.8 14659/2.4=80, ~9781=66...(12) HA TRP 92 + HH2 TRP 92 OK 44 57 100 78 7.7-7.8 14638/4.3=56, 8.1=49 HA ASN 60 - HH2 TRP 92 far 0 70 0 - 9.8-10.8 Violated in 0 structures by 0.00 A. Peak 14659 from cnoeabs.peaks (4.80, 7.06, 122.12 ppm; 5.23 A): 1 out of 3 assignments used, quality = 0.98: HA VAL 83 + HZ3 TRP 92 OK 98 98 100 100 3.9-5.2 3.2/9781=71, 3.0/9776=69...(14) HA TRP 92 - HZ3 TRP 92 far 0 88 0 - 7.0-7.2 HA ASN 60 - HZ3 TRP 92 far 0 94 0 - 9.8-10.6 Violated in 0 structures by 0.00 A. Peak 14660 from cnoeabs.peaks (2.11, 7.06, 122.12 ppm; 6.50 A): 3 out of 6 assignments used, quality = 1.00: HB VAL 83 + HZ3 TRP 92 OK 98 98 100 100 5.1-5.9 9776=100, 2.1/9781=99...(16) HB3 GLU 88 + HZ3 TRP 92 OK 69 69 100 100 5.1-6.2 ~14641=59...(14) HG2 GLU 88 + HZ3 TRP 92 OK 66 69 100 96 4.3-7.9 12337/14659=46...(9) HG2 GLU 104 - HZ3 TRP 92 far 9 58 15 - 6.2-14.4 HB2 LEU 64 - HZ3 TRP 92 lone 8 98 40 20 7.5-8.9 10760/9781=16, 10760/10002=1 HG3 GLU 104 - HZ3 TRP 92 lone 1 95 30 3 6.8-15.7 Violated in 0 structures by 0.00 A. Peak 14661 from cnoeabs.peaks (0.96, 7.06, 122.12 ppm; 5.40 A): 3 out of 5 assignments used, quality = 0.99: QG2 VAL 83 + HZ3 TRP 92 OK 98 98 100 100 4.2-4.7 9781=100, 2.1/9776=82...(23) HB2 ARG 81 + HZ3 TRP 92 OK 54 71 100 75 1.8-2.0 14664/2.4=26, ~9749=23...(10) HG LEU 55 + HZ3 TRP 92 OK 36 98 45 83 5.9-7.4 ~9276=55, ~14644=22...(8) QG2 THR 80 - HZ3 TRP 92 lone 3 91 30 11 6.2-7.6 10917/9275=5, 14642/2.5=4 QG2 VAL 5 - HZ3 TRP 92 far 0 91 0 - 8.7-10.6 Violated in 0 structures by 0.00 A. Peak 14662 from cnoeabs.peaks (0.80, 7.06, 122.12 ppm; 5.80 A): 2 out of 6 assignments used, quality = 0.99: QD2 LEU 57 + HZ3 TRP 92 OK 94 96 100 98 4.5-6.1 9343/2.5=42...(14) QD1 LEU 57 + HZ3 TRP 92 OK 84 84 100 100 2.8-3.5 9804/9776=69...(19) QD2 LEU 103 - HZ3 TRP 92 lone 5 85 65 9 4.3-15.9 9997/2.5=3, 14665/2.4=2 QD1 ILE 93 - HZ3 TRP 92 far 0 64 0 - 7.9-9.1 QG2 ILE 8 - HZ3 TRP 92 far 0 90 0 - 9.2-11.1 QG2 ILE 7 - HZ3 TRP 92 far 0 97 0 - 9.3-10.6 Violated in 0 structures by 0.00 A. Peak 14663 from cnoeabs.peaks (0.96, 7.49, 114.39 ppm; 6.50 A): 2 out of 4 assignments used, quality = 1.00: QG2 VAL 83 + HZ2 TRP 92 OK 98 98 100 100 5.9-6.4 10296/2.8=93, ~9998=89...(12) HB2 ARG 81 + HZ2 TRP 92 OK 86 86 100 100 4.7-5.9 3.4/10925=86...(9) HG LEU 55 - HZ2 TRP 92 far 0 98 0 - 9.2-10.7 QG2 THR 80 - HZ2 TRP 92 far 0 83 0 - 9.7-11.1 Violated in 0 structures by 0.00 A. Peak 14664 from cnoeabs.peaks (0.94, 7.24, 124.65 ppm; 6.11 A): 2 out of 4 assignments used, quality = 0.99: HB2 ARG 81 + HH2 TRP 92 OK 94 97 100 97 2.7-4.4 ~10925=56, ~14666=49...(11) QG2 VAL 83 + HH2 TRP 92 OK 88 88 100 100 5.2-5.7 9781/2.4=83, ~9776=70...(16) QG2 THR 80 - HH2 TRP 92 far 0 59 0 - 7.8-9.3 HG LEU 55 - HH2 TRP 92 far 0 87 0 - 8.2-9.7 Violated in 0 structures by 0.00 A. Peak 14665 from cnoeabs.peaks (0.81, 7.24, 124.65 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.98: QD1 LEU 57 + HH2 TRP 92 OK 90 90 100 100 4.6-5.4 9999/5.0=76...(9) QD2 LEU 57 + HH2 TRP 92 OK 85 95 100 89 6.4-7.9 14662/2.4=46...(7) QD2 LEU 103 - HH2 TRP 92 lone 6 91 55 11 5.8-16.8 9744/14664=3...(4) QD1 ILE 93 - HH2 TRP 92 far 0 57 0 - 9.3-10.2 Violated in 0 structures by 0.00 A. Peak 14666 from cnoeabs.peaks (4.35, 7.49, 114.39 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.86: HA ARG 81 + HZ2 TRP 92 OK 86 95 100 90 6.9-7.4 3620/10925=73...(5) Violated in 20 structures by 0.70 A. Peak 14667 from cnoeabs.peaks (1.74, 7.49, 114.39 ppm; 6.50 A): 2 out of 3 assignments used, quality = 0.97: HD2 ARG 81 + HZ2 TRP 92 OK 97 97 100 100 5.3-7.4 10925=96, ~10000=61...(7) HB3 LYS 82 + HZ2 TRP 92 OK 24 80 100 29 6.7-7.3 9765/14666=22, 3589/14663=6 HD2 LYS 90 - HZ2 TRP 92 far 0 99 0 - 9.6-12.3 Violated in 0 structures by 0.00 A. Peak 14668 from cnoeabs.peaks (1.53, 7.03, 131.42 ppm; 6.50 A): 6 out of 11 assignments used, quality = 1.00: HG2 ARG 79 + QD PHE 96 OK 98 100 100 98 3.6-5.7 8705=49, 1.8/8705=48...(13) HG3 ARG 79 + QD PHE 96 OK 98 100 100 98 3.2-5.9 1.8/8705=49, 8705=49...(13) HD3 LYS 53 + QD PHE 96 OK 91 91 100 100 4.9-7.8 9214/2.2=85, ~9212=59...(16) HB2 LEU 3 + QD PHE 96 OK 89 89 100 100 2.7-5.1 ~8068=90, 8066/2.2=85...(28) HG LEU 57 + QD PHE 96 OK 52 77 100 68 6.9-7.9 10214/9284=34, ~9359=21...(9) HG12 ILE 56 + QD PHE 96 OK 37 100 65 57 7.4-9.4 10679/14670=14...(11) HB3 LEU 103 - QD PHE 96 poor 20 99 80 24 4.5-9.6 ~10128=8, ~10127=8...(5) HG LEU 6 - QD PHE 96 poor 13 100 35 37 7.4-10.4 10196/8171=9...(10) HG LEU 2 - QD PHE 96 far 0 96 0 - 8.4-11.1 HB3 GLU 28 - QD PHE 96 far 0 73 0 - 9.4-10.8 HB ILE 7 - QD PHE 96 far 0 99 0 - 9.8-11.2 Violated in 0 structures by 0.00 A. Peak 14669 from cnoeabs.peaks (1.13, 7.03, 131.42 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.88: HB3 LEU 3 + QD PHE 96 OK 88 88 100 100 2.3-5.3 ~8066=87, 8068/2.2=84...(23) HB2 LEU 29 - QD PHE 96 far 4 71 5 - 8.0-9.8 Violated in 0 structures by 0.00 A. Peak 14670 from cnoeabs.peaks (0.94, 7.03, 131.42 ppm; 5.28 A): 2 out of 5 assignments used, quality = 1.00: QG2 VAL 5 + QD PHE 96 OK 100 100 100 100 2.0-3.5 8170/2.2=98, 8169=62...(25) HG LEU 55 + QD PHE 96 OK 92 92 100 100 4.4-5.0 ~9263=69, ~10050=67...(25) HB2 ARG 81 - QD PHE 96 far 5 98 5 - 6.6-8.5 QG2 THR 80 - QD PHE 96 far 0 65 0 - 7.9-8.9 QG2 VAL 83 - QD PHE 96 far 0 93 0 - 8.7-9.6 Violated in 0 structures by 0.00 A. Peak 14671 from cnoeabs.peaks (0.75, 7.03, 131.42 ppm; 4.92 A): 8 out of 18 assignments used, quality = 1.00: QG2 ILE 93 + QD PHE 96 OK 100 100 100 100 3.3-5.0 10031=72, 3.2/10004=60...(28) QD2 LEU 27 + QD PHE 96 OK 95 95 100 100 3.1-4.2 2.1/8645=93, 8647=90...(25) HG13 ILE 93 + QD PHE 96 OK 93 100 95 98 4.7-6.5 3.2/10031=55...(19) QG1 VAL 5 + QD PHE 96 OK 91 92 100 99 3.6-5.3 ~8170=66, 2.1/8169=59...(21) QD1 LEU 27 + QD PHE 96 OK 89 89 100 100 2.0-3.5 2.1/8647=90, 8645=83...(26) QG1 VAL 54 + QD PHE 96 OK 75 96 100 78 5.7-6.4 ~9220=45, 3.2/9221=19...(12) QD1 ILE 93 + QD PHE 96 OK 42 88 50 95 5.4-6.9 3.1/10031=56...(13) HG3 ARG 81 + QD PHE 96 OK 37 100 80 46 5.0-6.8 3614/9275=16...(12) QD1 ILE 56 - QD PHE 96 poor 6 59 40 25 6.0-8.1 9271/9275=6, ~14678=5...(8) QG2 VAL 78 - QD PHE 96 far 0 85 0 - 7.0-8.0 HG13 ILE 56 - QD PHE 96 far 0 73 0 - 7.2-9.5 QD1 LEU 6 - QD PHE 96 far 0 87 0 - 7.3-9.8 QG1 VAL 78 - QD PHE 96 far 0 100 0 - 7.5-8.3 QD2 LEU 42 - QD PHE 96 far 0 92 0 - 7.8-9.8 QG2 ILE 52 - QD PHE 96 far 0 73 0 - 7.8-9.5 QD1 LEU 64 - QD PHE 96 far 0 100 0 - 8.5-9.7 QD1 ILE 8 - QD PHE 96 far 0 63 0 - 9.2-11.0 QG1 VAL 58 - QD PHE 96 far 0 84 0 - 9.5-10.1 Violated in 0 structures by 0.00 A. Peak 14672 from cnoeabs.peaks (0.49, 7.03, 131.42 ppm; 6.07 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + QD PHE 96 OK 89 89 100 100 2.2-3.7 10050/2.4=99...(36) QD1 LEU 3 + QD PHE 96 OK 88 88 100 100 3.6-4.6 ~8072=86, 8074/2.2=82...(35) Violated in 0 structures by 0.00 A. Peak 14673 from cnoeabs.peaks (0.93, 6.96, 131.40 ppm; 6.50 A): 2 out of 4 assignments used, quality = 0.99: QG2 VAL 5 + QE PHE 96 OK 95 95 100 100 2.0-4.1 8170=92, 12108/9291=66...(26) HG LEU 55 + QE PHE 96 OK 70 70 100 100 4.6-5.6 3.7/10669=96...(18) HB2 ARG 81 - QE PHE 96 poor 18 100 35 52 7.3-9.7 3587/9274=27...(7) QG2 VAL 83 - QE PHE 96 far 0 72 0 - 9.5-10.3 Violated in 0 structures by 0.00 A. Peak 14674 from cnoeabs.peaks (0.74, 6.96, 131.40 ppm; 5.64 A): 11 out of 18 assignments used, quality = 1.00: QG2 ILE 93 + QE PHE 96 OK 98 99 100 100 4.9-6.6 10322/8170=83...(15) QD2 LEU 27 + QE PHE 96 OK 97 97 100 100 3.3-4.7 8646=97, 8647/2.2=95...(23) QG1 VAL 5 + QE PHE 96 OK 95 95 100 100 4.0-5.9 2.1/8170=97, ~8169=51...(19) QG1 VAL 54 + QE PHE 96 OK 91 92 100 100 4.4-5.2 3.2/9220=83, 4.1/9291=63...(16) QD1 LEU 27 + QE PHE 96 OK 83 83 100 100 3.0-4.9 2.1/8646=98, ~8647=78...(22) QG1 VAL 78 + QE PHE 96 OK 64 100 100 64 5.8-6.6 6898/9218=30...(6) QG2 VAL 78 + QE PHE 96 OK 57 90 100 63 5.3-6.7 8180/10669=20...(8) HG13 ILE 93 + QE PHE 96 OK 33 100 35 94 6.6-8.0 ~10031=50, 10019/9285=38...(14) HG3 ARG 81 + QE PHE 96 OK 31 100 55 56 5.9-8.1 3614/9274=25, ~10053=8...(12) QD1 ILE 56 + QE PHE 96 OK 30 66 95 47 4.9-7.4 9271/9274=10...(12) QD1 ILE 93 + QE PHE 96 OK 20 81 30 83 6.6-8.1 ~10031=51, 10021/9285=31...(8) QG2 ILE 52 - QE PHE 96 poor 19 64 30 - 6.0-7.9 HG13 ILE 56 - QE PHE 96 far 12 79 15 - 6.1-8.5 QD1 LEU 6 - QE PHE 96 far 12 79 15 - 6.8-9.4 QD2 LEU 42 - QE PHE 96 lone 5 86 55 11 6.3-8.5 2485/9220=8, 3476/10330=1 QD1 LEU 64 - QE PHE 96 far 0 100 0 - 8.2-9.8 QD1 ILE 8 - QE PHE 96 far 0 70 0 - 8.8-10.4 QG1 VAL 58 - QE PHE 96 far 0 88 0 - 9.3-10.0 Violated in 0 structures by 0.00 A. Peak 14675 from cnoeabs.peaks (0.49, 6.96, 131.40 ppm; 6.50 A): 2 out of 2 assignments used, quality = 0.99: QD2 LEU 55 + QE PHE 96 OK 93 93 100 100 3.5-4.7 4.0/10669=94...(30) QD1 LEU 3 + QE PHE 96 OK 81 81 100 100 4.1-4.7 2.1/8072=100...(36) Violated in 0 structures by 0.00 A. Peak 14676 from cnoeabs.peaks (0.26, 6.96, 131.40 ppm; 6.50 A): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 3 + QE PHE 96 OK 100 100 100 100 1.9-2.8 8072=100, 2.1/8074=100...(34) Violated in 0 structures by 0.00 A. Peak 14677 from cnoeabs.peaks (1.16, 6.96, 131.40 ppm; 6.50 A): 1 out of 3 assignments used, quality = 0.99: HB3 LEU 3 + QE PHE 96 OK 99 99 100 100 2.0-4.7 8068=100, 1.8/8066=99...(25) HB2 LEU 29 - QE PHE 96 far 0 100 0 - 8.1-10.5 HB2 LEU 6 - QE PHE 96 far 0 86 0 - 8.4-10.0 Violated in 0 structures by 0.00 A. Peak 14678 from cnoeabs.peaks (1.52, 6.96, 131.40 ppm; 6.50 A): 7 out of 11 assignments used, quality = 1.00: HG2 ARG 79 + QE PHE 96 OK 95 95 100 99 2.1-5.5 3.0/10912=51...(17) HG3 ARG 79 + QE PHE 96 OK 94 95 100 99 2.0-5.1 3.0/10912=51...(17) HD3 LYS 53 + QE PHE 96 OK 70 70 100 100 3.2-6.0 3.6/9206=95, 3.6/9204=92...(21) HG12 ILE 56 + QE PHE 96 OK 69 97 80 89 6.2-8.7 9317/10669=69...(13) HB2 LEU 3 + QE PHE 96 OK 68 68 100 100 2.2-4.6 1.8/8068=100...(28) HG LEU 6 + QE PHE 96 OK 35 99 60 59 6.3-9.7 10659/9291=27...(11) HG LEU 2 + QE PHE 96 OK 22 100 50 44 6.8-9.5 8224/8061=15...(5) HB3 LEU 103 - QE PHE 96 poor 19 100 70 27 5.1-9.7 3.1/10128=11...(4) HG LEU 57 - QE PHE 96 far 5 93 5 - 8.0-9.0 HG3 ARG 30 - QE PHE 96 far 0 98 0 - 9.3-12.3 HB ILE 7 - QE PHE 96 far 0 100 0 - 9.9-11.4 Violated in 0 structures by 0.00 A. Peak 14679 from cnoeabs.peaks (2.00, 6.66, 129.63 ppm; 6.50 A): 6 out of 10 assignments used, quality = 1.00: HB2 GLU 44 + QD PHE 45 OK 100 100 100 100 2.7-4.8 3.0/8990=90, 4.7/6731=89...(17) HB3 GLU 44 + QD PHE 45 OK 100 100 100 100 2.8-5.0 3.0/8990=90, 4.7/6731=89...(15) QE MET 74 + QD PHE 45 OK 99 100 100 99 6.4-7.9 10870/8928=73...(7) HB2 ARG 46 + QD PHE 45 OK 69 86 100 81 5.6-7.3 6749/4.8=43, ~10613=23...(8) HB3 ARG 46 + QD PHE 45 OK 45 58 100 77 5.5-7.3 6749/4.8=41, ~10613=21...(7) HB2 LYS 47 + QD PHE 45 OK 38 76 100 50 5.6-7.8 2133/8987=42, 8476/4.8=5...(4) HB3 MET 74 - QD PHE 45 poor 17 64 70 38 6.6-9.4 10341/10600=16...(4) HB2 GLN 50 - QD PHE 45 far 0 84 0 - 8.6-11.8 QE MET 1 - QD PHE 45 far 0 88 0 - 9.0-10.5 HB2 GLU 37 - QD PHE 45 far 0 89 0 - 9.6-11.6 Violated in 0 structures by 0.00 A. Peak 14680 from cnoeabs.peaks (0.77, 6.66, 129.63 ppm; 4.81 A): 6 out of 12 assignments used, quality = 1.00: QD2 LEU 42 + QD PHE 45 OK 100 100 100 100 2.4-3.8 10600=99, 1944/8928=75...(18) QG1 VAL 54 + QD PHE 45 OK 99 99 100 100 2.1-3.4 2.1/9222=92, 9226/2.2=71...(16) QD1 LEU 6 + QD PHE 45 OK 99 99 100 100 4.1-6.0 8211=94, 8212/2.2=91...(12) QG2 ILE 52 + QD PHE 45 OK 96 97 100 99 4.3-5.6 9144=80, 3.1/9147=70...(14) QG1 VAL 78 + QD PHE 45 OK 69 91 100 76 3.3-5.1 10906/9632=30...(8) QD1 ILE 76 + QD PHE 45 OK 66 66 100 99 2.9-5.0 3.2/9632=54, 9642=54...(19) QD2 LEU 27 - QD PHE 45 far 0 64 0 - 7.4-9.2 QG1 VAL 5 - QD PHE 45 far 0 58 0 - 7.4-8.8 QD1 LEU 27 - QD PHE 45 far 0 100 0 - 7.8-9.4 QD2 LEU 57 - QD PHE 45 far 0 76 0 - 8.3-10.1 QG2 ILE 93 - QD PHE 45 far 0 95 0 - 9.7-11.2 QD1 ILE 93 - QD PHE 45 far 0 99 0 - 9.9-11.6 Violated in 0 structures by 0.00 A. Peak 14681 from cnoeabs.peaks (0.67, 6.66, 129.63 ppm; 5.08 A): 4 out of 8 assignments used, quality = 1.00: QD2 LEU 6 + QD PHE 45 OK 96 96 100 100 4.1-5.4 8208/2.2=90, 2.1/8211=81...(12) QD1 LEU 42 + QD PHE 45 OK 94 95 100 100 4.8-6.0 2.1/10600=97...(17) QG2 VAL 54 + QD PHE 45 OK 93 93 100 100 1.8-2.4 9222=91, 9223/2.2=82...(18) QD1 ILE 52 + QD PHE 45 OK 88 88 100 100 2.7-3.8 9147=78, 9170/2035=65...(19) QD1 ILE 56 - QD PHE 45 poor 19 66 85 33 4.3-6.9 230/8211=18...(4) QD2 LEU 29 - QD PHE 45 far 0 76 0 - 7.3-10.7 QD1 LEU 29 - QD PHE 45 far 0 92 0 - 7.7-9.5 QD1 ILE 8 - QD PHE 45 far 0 62 0 - 8.2-10.1 Violated in 0 structures by 0.00 A. Peak 14682 from cnoeabs.peaks (4.51, 6.51, 129.73 ppm; 5.93 A): 1 out of 1 assignment used, quality = 0.99: HA PHE 45 + QE PHE 45 OK 99 99 100 100 4.3-4.7 5.6=100 Violated in 0 structures by 0.00 A. Peak 14683 from cnoeabs.peaks (3.69, 6.51, 129.73 ppm; 6.50 A): 1 out of 2 assignments used, quality = 0.96: HA LEU 42 + QE PHE 45 OK 96 96 100 100 2.9-4.1 8928/2.2=95...(18) HA GLU 37 - QE PHE 45 far 0 93 0 - 8.3-9.9 Violated in 0 structures by 0.00 A. Peak 14684 from cnoeabs.peaks (2.96, 6.51, 129.73 ppm; 6.20 A): 2 out of 4 assignments used, quality = 1.00: HB3 PHE 45 + QE PHE 45 OK 98 98 100 100 4.4-4.5 4.4=100 HB2 PHE 45 + QE PHE 45 OK 82 82 100 100 4.4-4.5 4.4=100 HE2 LYS 47 - QE PHE 45 poor 19 94 20 - 7.2-9.8 HE3 LYS 47 - QE PHE 45 far 5 94 5 - 7.6-10.8 Violated in 0 structures by 0.00 A. Peak 14685 from cnoeabs.peaks (3.68, 6.66, 129.63 ppm; 6.09 A): 1 out of 2 assignments used, quality = 0.86: HA LEU 42 + QD PHE 45 OK 86 86 100 100 2.0-3.1 4.0/10600=92, 8928=80...(23) HA GLU 37 - QD PHE 45 far 0 79 0 - 9.2-10.8 Violated in 0 structures by 0.00 A. Peak 14686 from cnoeabs.peaks (0.76, 6.51, 129.73 ppm; 4.67 A): 5 out of 15 assignments used, quality = 1.00: QG1 VAL 54 + QE PHE 45 OK 100 100 100 100 1.8-2.7 2.1/9223=83, 9226=76...(22) QD2 LEU 42 + QE PHE 45 OK 99 100 100 99 2.6-4.4 10600/2.2=92...(17) QD1 LEU 6 + QE PHE 45 OK 99 99 100 100 2.3-4.2 8212=98, 2.1/8208=88...(21) QG1 VAL 78 + QE PHE 45 OK 54 95 95 60 4.5-6.2 2497/9223=22, 9226=19...(8) QD1 ILE 76 + QE PHE 45 OK 46 59 90 86 4.6-6.2 9642/2.2=37, ~9632=35...(13) QG2 ILE 52 - QE PHE 45 far 9 95 10 - 6.1-7.2 QG1 VAL 5 - QE PHE 45 far 0 67 0 - 6.3-7.3 QD2 LEU 27 - QE PHE 45 far 0 73 0 - 7.3-8.8 QD2 LEU 57 - QE PHE 45 far 0 69 0 - 7.3-8.9 QD1 LEU 27 - QE PHE 45 far 0 100 0 - 7.7-8.7 QG2 ILE 7 - QE PHE 45 far 0 63 0 - 8.4-9.6 QD1 ILE 93 - QE PHE 45 far 0 99 0 - 8.8-10.2 QG2 ILE 93 - QE PHE 45 far 0 98 0 - 8.9-10.0 QG2 ILE 8 - QE PHE 45 far 0 85 0 - 9.4-10.9 HG13 ILE 93 - QE PHE 45 far 0 94 0 - 9.7-11.7 Violated in 0 structures by 0.00 A. Peak 14687 from cnoeabs.peaks (0.65, 6.51, 129.73 ppm; 5.32 A): 3 out of 6 assignments used, quality = 1.00: QG2 VAL 54 + QE PHE 45 OK 100 100 100 100 2.4-4.0 9223=100, 9222/2.2=97...(18) QD2 LEU 6 + QE PHE 45 OK 71 71 100 100 2.1-3.6 2.1/8212=98, 2.1/8205=86...(22) QD1 LEU 42 + QE PHE 45 OK 66 67 100 98 5.1-6.2 ~10600=77, 4.0/14683=44...(17) QD1 LEU 29 - QE PHE 45 lone 4 100 40 10 6.1-8.0 10141/8205=8 QD2 LEU 29 - QE PHE 45 lone 0 98 30 1 5.9-9.0 QD1 ILE 7 - QE PHE 45 far 0 71 0 - 8.4-9.7 Violated in 0 structures by 0.00 A. Peak 14688 from cnoeabs.peaks (6.83, 6.14, 127.52 ppm; 6.37 A): 2 out of 2 assignments used, quality = 1.00: QD TYR 41 + HZ PHE 45 OK 100 100 100 100 3.7-5.7 2.5/8890=96, 2.5/8889=87...(14) QE TYR 41 + HZ PHE 45 OK 77 77 100 100 5.4-7.6 4.4/8890=77...(10) Violated in 0 structures by 0.00 A. Peak 14689 from cnoeabs.peaks (4.49, 6.14, 127.52 ppm; 6.50 A): 1 out of 1 assignment used, quality = 0.77: HA PHE 45 + HZ PHE 45 OK 77 77 100 99 6.0-6.4 7.2=75, 2035/3.8=69...(9) Violated in 0 structures by 0.00 A. Peak 14690 from cnoeabs.peaks (2.66, 6.14, 127.52 ppm; 6.50 A): 2 out of 3 assignments used, quality = 1.00: HD2 ARG 30 + HZ PHE 45 OK 99 99 100 100 3.2-6.4 8707=98, 8722/8215=88...(8) HB3 TYR 41 + HZ PHE 45 OK 85 85 100 100 2.9-3.9 1.8/8890=100, ~8887=85...(16) HG3 MET 74 - HZ PHE 45 far 0 57 0 - 9.2-11.8 Violated in 0 structures by 0.00 A. Peak 14691 from cnoeabs.peaks (2.29, 6.14, 127.52 ppm; 6.12 A): 2 out of 5 assignments used, quality = 1.00: HB2 TYR 4 + HZ PHE 45 OK 100 100 100 100 3.9-6.0 1.8/8127=92...(12) HB2 TYR 41 + HZ PHE 45 OK 79 79 100 100 4.2-5.3 1.8/8889=89, 8890=72...(13) HG3 GLU 43 - HZ PHE 45 far 0 63 0 - 9.1-10.2 HB2 GLU 48 - HZ PHE 45 far 0 98 0 - 9.1-11.9 HG2 GLU 23 - HZ PHE 45 far 0 96 0 - 9.9-14.9 Violated in 0 structures by 0.00 A. Peak 14692 from cnoeabs.peaks (1.52, 6.14, 127.52 ppm; 6.50 A): 2 out of 7 assignments used, quality = 1.00: HG LEU 6 + HZ PHE 45 OK 100 100 100 100 3.8-6.0 2.1/8214=100...(17) HG3 ARG 30 + HZ PHE 45 OK 99 99 100 100 4.0-5.9 1.8/8701=97, 3.0/8707=89...(8) HG LEU 2 - HZ PHE 45 far 10 100 10 - 7.5-11.8 HG12 ILE 56 - HZ PHE 45 far 5 99 5 - 7.6-10.0 HB ILE 7 - HZ PHE 45 far 0 100 0 - 9.0-10.9 HG2 LYS 47 - HZ PHE 45 far 0 75 0 - 9.1-13.2 HB2 LEU 3 - HZ PHE 45 far 0 75 0 - 9.3-11.5 Violated in 0 structures by 0.00 A. Peak 14693 from cnoeabs.peaks (1.29, 6.14, 127.52 ppm; 6.50 A): 2 out of 2 assignments used, quality = 1.00: HG2 ARG 30 + HZ PHE 45 OK 100 100 100 100 2.4-4.2 8701=100, 3.0/8707=89...(11) HB3 LEU 42 + HZ PHE 45 OK 97 99 100 98 6.3-8.0 ~8927=62, ~14683=57...(12) Violated in 0 structures by 0.00 A. Peak 14695 from cnoeabs.peaks (2.46, 6.14, 127.52 ppm; 6.50 A): 1 out of 2 assignments used, quality = 1.00: HB3 TYR 4 + HZ PHE 45 OK 100 100 100 100 3.0-4.9 8127=100, 12077/2.2=92...(14) HG3 GLU 48 - HZ PHE 45 far 4 81 5 - 7.3-11.6 Violated in 0 structures by 0.00 A. Peak 14696 from cnoeabs.peaks (0.78, 6.14, 127.52 ppm; 5.25 A): 4 out of 14 assignments used, quality = 1.00: QD1 LEU 6 + HZ PHE 45 OK 100 100 100 100 2.9-5.1 8214=100, 2.1/8215=97...(20) QD2 LEU 42 + HZ PHE 45 OK 97 99 100 98 4.3-6.2 10600/3.8=80...(15) QG1 VAL 54 + HZ PHE 45 OK 96 96 100 100 3.6-4.7 9229=94, 2.1/9228=76...(19) QD1 ILE 76 + HZ PHE 45 OK 26 87 35 86 6.2-7.7 9642/3.8=57, 9669/5.8=22...(10) QG1 VAL 78 - HZ PHE 45 far 11 75 15 - 6.5-8.2 QD2 LEU 2 - HZ PHE 45 far 7 73 10 - 6.0-11.0 QG2 ILE 52 - HZ PHE 45 far 0 100 0 - 7.6-8.9 QD2 LEU 57 - HZ PHE 45 far 0 93 0 - 8.2-10.3 QD1 LEU 27 - HZ PHE 45 far 0 99 0 - 8.3-9.6 QG2 ILE 7 - HZ PHE 45 far 0 90 0 - 8.7-10.2 QD1 ILE 93 - HZ PHE 45 far 0 100 0 - 9.3-10.8 QD1 LEU 70 - HZ PHE 45 far 0 59 0 - 9.4-12.6 QG2 ILE 93 - HZ PHE 45 far 0 84 0 - 9.6-10.8 QG2 ILE 15 - HZ PHE 45 far 0 71 0 - 9.8-11.3 Violated in 0 structures by 0.00 A. Peak 14697 from cnoeabs.peaks (0.68, 6.14, 127.52 ppm; 4.70 A): 3 out of 9 assignments used, quality = 1.00: QD2 LEU 6 + HZ PHE 45 OK 100 100 100 100 2.0-4.1 8215=99, 8208/2.2=87...(20) QG2 VAL 54 + HZ PHE 45 OK 85 85 100 100 4.1-5.7 2.1/9229=67, 9223/2.2=66...(16) QD1 ILE 52 + HZ PHE 45 OK 39 96 45 90 5.7-7.1 9147/3.8=61, 9170/7.2=25...(9) QD1 ILE 56 - HZ PHE 45 poor 15 81 45 40 5.4-8.5 230/8214=18, 9007/2.2=6...(9) QD1 LEU 29 - HZ PHE 45 far 4 84 5 - 6.0-8.3 QD2 LEU 29 - HZ PHE 45 far 0 63 0 - 6.3-9.3 QD1 LEU 42 - HZ PHE 45 far 0 99 0 - 6.7-7.7 HG13 ILE 56 - HZ PHE 45 far 0 68 0 - 7.4-9.8 QD1 ILE 8 - HZ PHE 45 far 0 77 0 - 8.0-10.5 Violated in 0 structures by 0.00 A. Peak 14698 from cnoeabs.peaks (1.46, 6.43, 132.25 ppm; 5.84 A): 6 out of 12 assignments used, quality = 1.00: HG13 ILE 52 + QD TYR 4 OK 100 100 100 100 2.0-6.0 ~8156=63, ~14595=54...(40) HB2 LEU 27 + QD TYR 4 OK 89 100 100 89 5.2-6.5 8186/6050=32...(10) HG2 LYS 53 + QD TYR 4 OK 81 100 100 81 5.4-7.0 3.0/14573=25...(12) QB ALA 22 + QD TYR 4 OK 78 90 100 87 5.6-6.4 10452/14579=39...(12) HG3 LYS 53 + QD TYR 4 OK 56 99 95 60 6.1-7.3 3.0/14573=25...(8) HD2 LYS 53 + QD TYR 4 OK 30 100 55 55 6.5-8.1 3.6/14573=23...(8) HG LEU 29 - QD TYR 4 far 9 90 10 - 7.1-9.3 HG13 ILE 76 - QD TYR 4 far 0 91 0 - 7.6-9.5 HG2 LYS 47 - QD TYR 4 far 0 70 0 - 8.8-12.4 HD3 LYS 40 - QD TYR 4 far 0 99 0 - 9.4-14.0 HD2 LYS 40 - QD TYR 4 far 0 100 0 - 9.5-14.0 HG LEU 38 - QD TYR 4 far 0 100 0 - 9.7-13.0 Violated in 0 structures by 0.00 A. Average quality of peak assignments : 0.981 Average number of used assignments : 2.450 Average rank of reference assignment: 1.138 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Protons used in less than 30% of expected peaks: Peak observation distance: 5.14 A Atom Residue Shift Peaks Used Expect Peaks: selected : 9371 in nnoeabs.peaks : 2220 in cnoeabs.peaks : 7151 assigned : 9319 unassigned : 52 without assignment possibility : 14 with violation below 0.5 A : 2 with violation between 0.5 and 3.0 A : 25 with violation above 3.0 A : 11 in nnoeabs.peaks : 11 in cnoeabs.peaks : 41 with diagonal assignment : 902 Cross peaks: with off-diagonal assignment : 8417 with unique assignment : 3277 with short-range assignment |i-j|<=1: 5965 with medium-range assignment 1<|i-j|<5 : 1224 with long-range assignment |i-j|>=5: 1228 Comparison with reference assignment: Cross peaks with reference assignment : 5478 with identical reference assignment : 2075 with compatible reference assignment : 5251 with incompatible reference assignment : 17 with additional reference assignment : 0 with additional assignment : 3149